[sasview] 01/01: New upstream version 4.1.2
Drew Parsons
dparsons at moszumanska.debian.org
Mon Oct 30 05:32:37 UTC 2017
This is an automated email from the git hooks/post-receive script.
dparsons pushed a commit to annotated tag upstream/4.1.2
in repository sasview.
commit 5cffa3eb4283ca9e51601e3b6935499a22815a62
Author: Drew Parsons <dparsons at debian.org>
Date: Mon Oct 30 13:30:21 2017 +0800
New upstream version 4.1.2
---
.gitattributes | 5 +
.gitignore | 61 +
.project | 17 +
.pydevproject | 8 +
.travis.yml | 38 +
INSTALL.txt | 51 +
LICENSE.TXT | 12 +
README.md | 8 +
Vagrantfile | 43 +
Vagrantprovision.sh | 21 +
build_tools/Makefile_RHEL7 | 45 +
build_tools/conda/README.md | 53 +
build_tools/conda/altgraph/bld.bat | 8 +
build_tools/conda/altgraph/build.sh | 9 +
build_tools/conda/altgraph/meta.yaml | 61 +
build_tools/conda/appdirs/bld.bat | 8 +
build_tools/conda/appdirs/build.sh | 9 +
build_tools/conda/appdirs/meta.yaml | 60 +
build_tools/conda/bumps/bld.bat | 8 +
build_tools/conda/bumps/build.sh | 9 +
build_tools/conda/bumps/meta.yaml | 69 +
build_tools/conda/macholib/bld.bat | 8 +
build_tools/conda/macholib/build.sh | 9 +
build_tools/conda/macholib/meta.yaml | 64 +
build_tools/conda/mako/bld.bat | 8 +
build_tools/conda/mako/build.sh | 9 +
build_tools/conda/mako/meta.yaml | 66 +
build_tools/conda/modulegraph/bld.bat | 8 +
build_tools/conda/modulegraph/build.sh | 9 +
build_tools/conda/modulegraph/meta.yaml | 62 +
build_tools/conda/periodictable/bld.bat | 8 +
build_tools/conda/periodictable/build.sh | 9 +
build_tools/conda/periodictable/meta.yaml | 64 +
build_tools/conda/py2app/bld.bat | 8 +
build_tools/conda/py2app/build.sh | 9 +
build_tools/conda/py2app/meta.yaml | 74 +
build_tools/conda/py2exe/bld.bat | 8 +
build_tools/conda/py2exe/build.sh | 9 +
build_tools/conda/py2exe/meta.yaml | 59 +
build_tools/conda/pyopencl/bld.bat | 21 +
build_tools/conda/pyopencl/build.sh | 9 +
build_tools/conda/pyopencl/meta.yaml | 73 +
build_tools/conda/pypdf2/bld.bat | 8 +
build_tools/conda/pypdf2/build.sh | 9 +
build_tools/conda/pypdf2/meta.yaml | 59 +
build_tools/conda/pytools/bld.bat | 8 +
build_tools/conda/pytools/build.sh | 9 +
build_tools/conda/pytools/meta.yaml | 66 +
build_tools/conda/unittest-xml-reporting/bld.bat | 8 +
build_tools/conda/unittest-xml-reporting/build.sh | 9 +
build_tools/conda/unittest-xml-reporting/meta.yaml | 64 +
build_tools/conda/xhtml2pdf/bld.bat | 8 +
build_tools/conda/xhtml2pdf/build.sh | 9 +
build_tools/conda/xhtml2pdf/meta.yaml | 73 +
build_tools/deploy.bat | 9 +
build_tools/dmgpack.sh | 65 +
build_tools/jenkins_linux_build.sh | 84 +
build_tools/jenkins_linux_pylint.sh | 16 +
build_tools/jenkins_linux_test.sh | 14 +
build_tools/jenkins_osx_build.sh | 92 +
build_tools/jenkins_rhel6_build.sh | 73 +
build_tools/jenkins_win64_build.bat | 96 +
build_tools/jenkins_win_build.bat | 104 +
build_tools/pylint.rc | 373 +
build_tools/requirements.txt | 19 +
build_tools/sasview.spec | 38 +
build_tools/sasview_deploy_test.au3 | 179 +
build_tools/test_deployment.bat | 8 +
build_tools/travis_build.sh | 48 +
check_packages.py | 104 +
docs/sasview/Tutorial.pdf | Bin 0 -> 2282706 bytes
docs/sasview/Tutorial.pptx | Bin 0 -> 2557784 bytes
docs/sasview/Tutorial_Old.pdf | Bin 0 -> 2077341 bytes
docs/sasview/Tutorial_Old.pptx | Bin 0 -> 2562107 bytes
docs/sphinx-docs/Makefile | 181 +
docs/sphinx-docs/build_sphinx.py | 386 +
docs/sphinx-docs/source/_extensions/dollarmath.py | 47 +
docs/sphinx-docs/source/conf.py | 293 +
docs/sphinx-docs/source/dev/dev.rst | 19 +
docs/sphinx-docs/source/index.rst | 14 +
docs/sphinx-docs/source/rst_prolog | 73 +
.../source/user/README-ABOUT-TOCTREE-FILES.TXT | 12 +
docs/sphinx-docs/source/user/analysis.rst | 17 +
docs/sphinx-docs/source/user/marketplace.rst | 15 +
docs/sphinx-docs/source/user/menu_bar.rst | 85 +
docs/sphinx-docs/source/user/tools.rst | 30 +
docs/sphinx-docs/source/user/tutorial.rst | 12 +
docs/sphinx-docs/source/user/user.rst | 17 +
docs/sphinx-docs/source/user/working.rst | 22 +
ez_setup.py | 332 +
run.py | 142 +
sasview/MANIFEST.IN | 4 +
sasview/README-next-release.txt | 10 +
sasview/README.txt | 613 +
sasview/__init__.py | 18 +
sasview/custom_config.py | 17 +
sasview/images/SVwelcome.png | Bin 0 -> 253183 bytes
sasview/images/SVwelcome_mini.png | Bin 0 -> 171991 bytes
sasview/images/angles.png | Bin 0 -> 5138 bytes
sasview/images/angles_flat.png | Bin 0 -> 3462 bytes
sasview/images/ansto_logo.png | Bin 0 -> 6508 bytes
sasview/images/ball.icns | Bin 0 -> 10090 bytes
sasview/images/ball.ico | Bin 0 -> 9662 bytes
sasview/images/danse_logo.png | Bin 0 -> 7299 bytes
sasview/images/ess_logo.png | Bin 0 -> 4681 bytes
sasview/images/ill_logo.png | Bin 0 -> 3906 bytes
sasview/images/isis_logo.png | Bin 0 -> 11382 bytes
sasview/images/nist_logo.png | Bin 0 -> 2887 bytes
sasview/images/nsf_logo.png | Bin 0 -> 3985 bytes
sasview/images/ornl_logo.png | Bin 0 -> 8831 bytes
sasview/images/sns_logo.png | Bin 0 -> 8337 bytes
sasview/images/tudelft_logo.png | Bin 0 -> 2934 bytes
sasview/images/umd_logo.png | Bin 0 -> 4273 bytes
sasview/images/utlogo.gif | Bin 0 -> 277 bytes
sasview/installer_generator.py | 370 +
sasview/license.txt | 21 +
sasview/local_config.py | 153 +
sasview/media/README.txt | 6 +
sasview/media/Tutorial.pdf | Bin 0 -> 2282706 bytes
sasview/media/getting_started_with_sasview.pdf | Bin 0 -> 286601 bytes
sasview/sasview.py | 213 +
sasview/sasview.spec | 183 +
sasview/setup.cfg | 2 +
sasview/setup_exe.py | 398 +
sasview/setup_mac.py | 158 +
sasview/test/1d_data/ testdata_line1.txt | 47 +
sasview/test/1d_data/1000A_sphere_dsm.xml | 630 +
.../test/1d_data/10wtAOT_Reline_120_reduced.pdh | 827 +
.../1d_data/33837rear_1D_1.75_16.5_CanSAS1D.xml | 155 +
.../1d_data/33837rear_1D_1.75_16.5_NXcanSAS.h5 | Bin 0 -> 35840 bytes
.../1d_data/33837rear_1D_1.75_16.5_NXcanSAS_v3.h5 | Bin 0 -> 36440 bytes
.../1d_data/AOT_Microemulsion-Core_Contrast.xml | 270 +
.../1d_data/AOT_Microemulsion-Drop_Contrast.xml | 270 +
.../1d_data/AOT_Microemulsion-Shell_Contrast.xml | 270 +
sasview/test/1d_data/APS_DND-CAT.TXT | 734 +
sasview/test/1d_data/Anton-Paar.pdh | 766 +
sasview/test/1d_data/CoreXY_ShellZ.txt | 553 +
sasview/test/1d_data/ISIS_83404.TXT | 126 +
sasview/test/1d_data/ISIS_98929.TXT | 145 +
sasview/test/1d_data/ISIS_Polymer_Blend_TK49.xml | 235 +
sasview/test/1d_data/P123_D2O_10_percent.xml | 257 +
sasview/test/1d_data/P123_D2O_30_percent.xml | 257 +
sasview/test/1d_data/P123_D2O_40_percent.xml | 257 +
sasview/test/1d_data/PolySpheres.txt | 129 +
sasview/test/1d_data/beam profile.DAT | 1 +
sasview/test/1d_data/circular_test.txt | 197 +
sasview/test/1d_data/cyl_400_20.txt | 22 +
sasview/test/1d_data/cyl_400_40.txt | 56 +
sasview/test/1d_data/cyl_testdata.txt | 47 +
sasview/test/1d_data/cyl_testdata1.txt | 54 +
sasview/test/1d_data/cyl_testdata2.txt | 50 +
sasview/test/1d_data/hSDS_D2O_0p5_percent.xml | 270 +
sasview/test/1d_data/hSDS_D2O_2p0_percent.xml | 270 +
.../1d_data/hSDS_D2O_2p0_percent_0p2M_NaCl.xml | 270 +
sasview/test/1d_data/latex_smeared.xml | 443 +
sasview/test/1d_data/rpa_igor.txt | 1 +
sasview/test/1d_data/saxess_example.pdh | 827 +
sasview/test/1d_data/sphere_60_q0_2.txt | 100 +
sasview/test/1d_data/sphere_80.txt | 100 +
sasview/test/1d_data/testdata_line.txt | 53 +
sasview/test/1d_data/testdata_line3.txt | 53 +
.../test/2d_data/14250_2D_NoDetInfo_NXcanSAS_v3.h5 | Bin 0 -> 481056 bytes
sasview/test/2d_data/2P_New.sans | 16393 +++
.../test/2d_data/33837rear_2D_1.75_16.5_NIST.dat | 22502 ++++
.../2d_data/33837rear_2D_1.75_16.5_NXcanSAS.h5 | Bin 0 -> 536679 bytes
.../2d_data/33837rear_2D_1.75_16.5_NXcanSAS_v3.h5 | Bin 0 -> 537279 bytes
sasview/test/2d_data/Dec07031.ASC | 16403 +++
sasview/test/2d_data/HiResSAN14.ASC | 36883 ++++++
sasview/test/2d_data/MAR07262.ASC | 16403 +++
sasview/test/2d_data/P123_D2O_10_percent.dat | 10002 ++
sasview/test/2d_data/P123_D2O_30_percent.dat | 10002 ++
sasview/test/2d_data/P123_D2O_40_percent.dat | 10002 ++
sasview/test/2d_data/P_New.sans | 16393 +++
sasview/test/2d_data/SILIC009.ASC | 16403 +++
sasview/test/2d_data/SILIC010.DAT | 16403 +++
sasview/test/2d_data/SILIC010_noheader.DAT | 16386 +++
sasview/test/2d_data/SILIC010_noheader_3col.DAT | 16386 +++
sasview/test/2d_data/exp18_14_igor_2dqxqy.dat | 36883 ++++++
sasview/test/README.txt | 13 +
sasview/test/convertible_files/APS_X.TXT | 537 +
sasview/test/convertible_files/APS_Y.TXT | 537 +
sasview/test/convertible_files/FIT2D_I.TXT | 931 +
sasview/test/convertible_files/FIT2D_Q.TXT | 931 +
sasview/test/convertible_files/Z83000.I1D | 6 +
sasview/test/convertible_files/Z83000.QAX | 4 +
sasview/test/convertible_files/Z83001.I1D | 4 +
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sasview/test/convertible_files/Z83002.I1D | 5 +
sasview/test/convertible_files/Z98000.I1D | 6 +
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sasview/test/convertible_files/Z98002.I1D | Bin 0 -> 560 bytes
sasview/test/coordinate_data/A_Raw_Example-1.omf | 16036 +++
sasview/test/coordinate_data/diamond.pdb | 623 +
sasview/test/coordinate_data/dna.pdb | 975 +
sasview/test/coordinate_data/sld_file.sld | 553 +
.../test/image_data/ISIS_98940_greyscale_bmp.bmp | Bin 0 -> 347874 bytes
.../test/image_data/ISIS_98940_greyscale_gif.gif | Bin 0 -> 58368 bytes
.../test/image_data/ISIS_98940_greyscale_jpg.jpg | Bin 0 -> 80823 bytes
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.../test/image_data/ISIS_98940_greyscale_tif.tif | Bin 0 -> 347368 bytes
sasview/test/media/testdata_help.rst | 194 +
sasview/test/other_files/dist _THETA_weights.txt | 2 +
sasview/test/other_files/phi_weights.txt | 2 +
sasview/test/other_files/radius_dist.txt | 4 +
sasview/test/other_files/theta_weights.txt | 1000 +
.../test/save_states/constrained_fit_project.svs | 2571 +
.../save_states/fit_pr_and_invariant_project.svs | 1576 +
sasview/test/save_states/fitstate.fitv | 656 +
.../project_multiplicative_constraint.svs | 2567 +
sasview/test/save_states/prstate.prv | 1196 +
sasview/test/save_states/test.inv | 1316 +
sasview/test/save_states/test002.inv | 3133 +
sasview/test/sesans_data/sphere2micron.ses | 51 +
sasview/test/upcoming_formats/1000A_sphere_sm.xml | 476 +
sasview/version.txt | 44 +
sasview/welcome_panel.py | 180 +
sasview/wxcruft.py | 165 +
setup.py | 370 +
src/__init__.py | 0
src/examples/P_New.sans | 16393 +++
src/examples/data_generator/linear.txt | 53 +
src/examples/data_generator/linear.txt_line.txt | 53 +
src/examples/data_generator/logx_inv_sqrty.txt | 53 +
src/examples/data_generator/logx_inv_y.txt | 53 +
src/examples/data_generator/logx_lnxy.txt | 53 +
src/examples/data_generator/logx_lny.txt | 53 +
src/examples/data_generator/logx_lnyx2.txt | 53 +
src/examples/data_generator/logx_lnyx4.txt | 53 +
src/examples/data_generator/logx_logy.txt | 53 +
src/examples/data_generator/logx_y.txt | 53 +
src/examples/data_generator/logx_y2.txt | 53 +
src/examples/data_generator/test_transfo.py | 50 +
src/examples/data_generator/testdata_generator.py | 97 +
src/examples/data_generator/x2_inv_sqrty.txt | 53 +
src/examples/data_generator/x2_inv_y.txt | 53 +
src/examples/data_generator/x2_lnxy.txt | 53 +
src/examples/data_generator/x2_lny.txt | 53 +
src/examples/data_generator/x2_lnyx2.txt | 53 +
src/examples/data_generator/x2_lnyx4.txt | 53 +
src/examples/data_generator/x2_logy.txt | 53 +
src/examples/data_generator/x2_y.txt | 53 +
src/examples/data_generator/x2_y2.txt | 53 +
src/examples/data_generator/x_inv_sqrty.txt | 53 +
src/examples/data_generator/x_inv_y.txt | 53 +
src/examples/data_generator/x_lnxy.txt | 53 +
src/examples/data_generator/x_lny.txt | 53 +
src/examples/data_generator/x_lnyx2.txt | 53 +
src/examples/data_generator/x_lnyx4.txt | 53 +
src/examples/data_generator/x_logy.txt | 53 +
src/examples/data_generator/x_y2.txt | 53 +
src/examples/test_chisq_panel.py | 117 +
src/examples/test_copy_print.py | 117 +
src/examples/test_panel.py | 204 +
src/examples/test_panel2D.py | 271 +
src/examples/test_text_panel.py | 105 +
src/sas/__init__.py | 0
src/sas/sascalc/__init__.py | 0
src/sas/sascalc/calculator/BaseComponent.py | 318 +
src/sas/sascalc/calculator/__init__.py | 0
.../sascalc/calculator/c_extensions/__init__.py | 3 +
src/sas/sascalc/calculator/c_extensions/libfunc.c | 313 +
src/sas/sascalc/calculator/c_extensions/libfunc.h | 31 +
src/sas/sascalc/calculator/c_extensions/librefl.c | 423 +
src/sas/sascalc/calculator/c_extensions/librefl.h | 37 +
src/sas/sascalc/calculator/c_extensions/sld2i.cpp | 210 +
src/sas/sascalc/calculator/c_extensions/sld2i.hh | 45 +
.../calculator/c_extensions/sld2i_module.cpp | 156 +
src/sas/sascalc/calculator/instrument.py | 390 +
src/sas/sascalc/calculator/kiessig_calculator.py | 64 +
.../sascalc/calculator/resolution_calculator.py | 1167 +
src/sas/sascalc/calculator/sas_gen.py | 1112 +
.../sascalc/calculator/slit_length_calculator.py | 108 +
src/sas/sascalc/corfunc/__init__.py | 0
src/sas/sascalc/corfunc/corfunc_calculator.py | 275 +
src/sas/sascalc/corfunc/transform_thread.py | 66 +
src/sas/sascalc/data_util/__init__.py | 0
src/sas/sascalc/data_util/calcthread.py | 324 +
src/sas/sascalc/data_util/err1d.py | 155 +
src/sas/sascalc/data_util/formatnum.py | 441 +
src/sas/sascalc/data_util/nxsunit.py | 210 +
src/sas/sascalc/data_util/odict.py | 1399 +
src/sas/sascalc/data_util/ordereddict.py | 128 +
src/sas/sascalc/data_util/ordereddicttest.py | 186 +
src/sas/sascalc/data_util/pathutils.py | 49 +
src/sas/sascalc/data_util/qsmearing.py | 249 +
src/sas/sascalc/data_util/registry.py | 174 +
src/sas/sascalc/data_util/release_notes.txt | 60 +
src/sas/sascalc/data_util/uncertainty.py | 316 +
src/sas/sascalc/data_util/uniquelist.py | 40 +
src/sas/sascalc/dataloader/__init__.py | 3 +
src/sas/sascalc/dataloader/data_info.py | 1200 +
src/sas/sascalc/dataloader/loader.py | 385 +
src/sas/sascalc/dataloader/manipulations.py | 1140 +
src/sas/sascalc/dataloader/readers/IgorReader.py | 304 +
src/sas/sascalc/dataloader/readers/__init__.py | 13 +
src/sas/sascalc/dataloader/readers/abs_reader.py | 249 +
.../dataloader/readers/anton_paar_saxs_reader.py | 178 +
src/sas/sascalc/dataloader/readers/ascii_reader.py | 245 +
src/sas/sascalc/dataloader/readers/associations.py | 108 +
.../sascalc/dataloader/readers/cansas_constants.py | 447 +
.../sascalc/dataloader/readers/cansas_reader.py | 1553 +
.../dataloader/readers/cansas_reader_HDF5.py | 607 +
src/sas/sascalc/dataloader/readers/danse_reader.py | 280 +
src/sas/sascalc/dataloader/readers/defaults.json | 50 +
.../sascalc/dataloader/readers/hfir1d_reader.py | 129 +
src/sas/sascalc/dataloader/readers/nexus_reader.py | 96 +
src/sas/sascalc/dataloader/readers/red2d_reader.py | 367 +
.../readers/schema/cansas1d_invalid_v1_0.xsd | 98 +
.../readers/schema/cansas1d_invalid_v1_1.xsd | 98 +
.../dataloader/readers/schema/cansas1d_v1_0.xsd | 238 +
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.../sascalc/dataloader/readers/sesans_reader.py | 174 +
src/sas/sascalc/dataloader/readers/tiff_reader.py | 106 +
src/sas/sascalc/dataloader/readers/xml_reader.py | 306 +
src/sas/sascalc/file_converter/__init__.py | 0
src/sas/sascalc/file_converter/bsl_loader.py | 131 +
src/sas/sascalc/file_converter/c_ext/__init__.py | 0
src/sas/sascalc/file_converter/c_ext/bsl_loader.c | 292 +
src/sas/sascalc/file_converter/c_ext/bsl_loader.h | 19 +
src/sas/sascalc/file_converter/cansas_writer.py | 109 +
src/sas/sascalc/file_converter/nxcansas_writer.py | 304 +
src/sas/sascalc/file_converter/otoko_loader.py | 150 +
src/sas/sascalc/file_converter/red2d_writer.py | 36 +
src/sas/sascalc/fit/AbstractFitEngine.py | 629 +
src/sas/sascalc/fit/BumpsFitting.py | 378 +
src/sas/sascalc/fit/Loader.py | 86 +
src/sas/sascalc/fit/MultiplicationModel.py | 335 +
src/sas/sascalc/fit/__init__.py | 1 +
src/sas/sascalc/fit/expression.py | 400 +
src/sas/sascalc/fit/pluginmodel.py | 66 +
src/sas/sascalc/invariant/__init__.py | 0
src/sas/sascalc/invariant/invariant.py | 962 +
src/sas/sascalc/invariant/invariant_mapper.py | 48 +
src/sas/sascalc/pr/Doxyfile | 263 +
src/sas/sascalc/pr/__init__.py | 106 +
src/sas/sascalc/pr/c_extensions/Cinvertor.c | 1133 +
src/sas/sascalc/pr/c_extensions/__init__.py | 3 +
src/sas/sascalc/pr/c_extensions/invertor.c | 315 +
src/sas/sascalc/pr/c_extensions/invertor.h | 59 +
src/sas/sascalc/pr/distance_explorer.py | 107 +
src/sas/sascalc/pr/fit/AbstractFitEngine.py | 632 +
src/sas/sascalc/pr/fit/BumpsFitting.py | 365 +
src/sas/sascalc/pr/fit/Loader.py | 86 +
src/sas/sascalc/pr/fit/__init__.py | 1 +
src/sas/sascalc/pr/fit/expression.py | 400 +
src/sas/sascalc/pr/invertor.py | 754 +
src/sas/sascalc/pr/num_term.py | 197 +
src/sas/sascalc/pr/release_notes.txt | 64 +
src/sas/sascalc/realspace/VolumeCanvas.py | 803 +
src/sas/sascalc/realspace/__init__.py | 80 +
src/sas/sascalc/simulation/__init__.py | 0
src/sas/sascalc/simulation/analmodelpy/Make.mm | 47 +
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.../simulation/analmodelpy/analmodelpy/__init__.py | 21 +
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.../sasgui/perspectives/fitting/media/pd_help.rst | 194 +
.../perspectives/fitting/media/pd_image001.png | Bin 0 -> 2535 bytes
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.../perspectives/fitting/media/pd_image008.png | Bin 0 -> 585 bytes
.../perspectives/fitting/media/pd_image009.png | Bin 0 -> 777 bytes
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.../perspectives/fitting/media/pd_image013.jpg | Bin 0 -> 12845 bytes
.../perspectives/fitting/media/plot_button.bmp | Bin 0 -> 1203230 bytes
.../sasgui/perspectives/fitting/media/plugin.rst | 1012 +
.../perspectives/fitting/media/residuals_help.rst | 64 +
.../fitting/media/restore_batch_window.bmp | Bin 0 -> 134454 bytes
src/sas/sasgui/perspectives/fitting/media/sld1.gif | Bin 0 -> 754 bytes
src/sas/sasgui/perspectives/fitting/media/sld2.gif | Bin 0 -> 940 bytes
.../sasgui/perspectives/fitting/media/sm_help.rst | 235 +
.../perspectives/fitting/media/sm_image002.gif | Bin 0 -> 2278 bytes
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.../perspectives/fitting/media/sm_image028.gif | Bin 0 -> 1989 bytes
.../perspectives/fitting/media/sum_model.bmp | Bin 0 -> 444582 bytes
.../perspectives/fitting/media/view_button.bmp | Bin 0 -> 1224174 bytes
.../perspectives/fitting/media/view_data_model.bmp | Bin 0 -> 675078 bytes
.../sasgui/perspectives/fitting/model_thread.py | 282 +
src/sas/sasgui/perspectives/fitting/models.py | 455 +
src/sas/sasgui/perspectives/fitting/pagestate.py | 1449 +
.../perspectives/fitting/plugin_models/__init__.py | 0
.../sasgui/perspectives/fitting/report_dialog.py | 173 +
src/sas/sasgui/perspectives/fitting/resultpanel.py | 99 +
src/sas/sasgui/perspectives/fitting/simfitpage.py | 1101 +
src/sas/sasgui/perspectives/fitting/utils.py | 28 +
src/sas/sasgui/perspectives/invariant/__init__.py | 45 +
src/sas/sasgui/perspectives/invariant/invariant.py | 357 +
.../perspectives/invariant/invariant_details.py | 542 +
.../perspectives/invariant/invariant_panel.py | 1965 +
.../perspectives/invariant/invariant_state.py | 797 +
.../perspectives/invariant/invariant_widgets.py | 165 +
.../perspectives/invariant/media/bookmark.png | Bin 0 -> 1231 bytes
.../perspectives/invariant/media/image001.gif | Bin 0 -> 343 bytes
.../perspectives/invariant/media/image002.gif | Bin 0 -> 429 bytes
.../perspectives/invariant/media/image003.gif | Bin 0 -> 295 bytes
.../perspectives/invariant/media/image004.gif | Bin 0 -> 492 bytes
.../perspectives/invariant/media/image005.gif | Bin 0 -> 46101 bytes
.../invariant/media/invariant_help.rst | 122 +
.../sasgui/perspectives/invariant/media/redo.png | Bin 0 -> 1641 bytes
.../sasgui/perspectives/invariant/media/report.png | Bin 0 -> 1175 bytes
.../invariant/media/report_template.html | 201 +
.../sasgui/perspectives/invariant/media/save.png | Bin 0 -> 2106 bytes
.../sasgui/perspectives/invariant/media/undo.png | Bin 0 -> 1732 bytes
.../sasgui/perspectives/invariant/report_dialog.py | 124 +
src/sas/sasgui/perspectives/pr/__init__.py | 2 +
src/sas/sasgui/perspectives/pr/explore_dialog.py | 425 +
src/sas/sasgui/perspectives/pr/inversion_panel.py | 1043 +
src/sas/sasgui/perspectives/pr/inversion_state.py | 531 +
src/sas/sasgui/perspectives/pr/media/pr_help.rst | 76 +
src/sas/sasgui/perspectives/pr/pr.py | 1316 +
src/sas/sasgui/perspectives/pr/pr_thread.py | 113 +
src/sas/sasgui/perspectives/pr/pr_widgets.py | 223 +
.../sasgui/perspectives/simulation/ShapeAdapter.py | 133 +
.../perspectives/simulation/ShapeParameters.py | 489 +
.../sasgui/perspectives/simulation/SimCanvas.py | 660 +
src/sas/sasgui/perspectives/simulation/__init__.py | 2 +
.../perspectives/simulation/requirements.txt | 18 +
.../sasgui/perspectives/simulation/simulation.py | 332 +
src/sas/sasgui/plottools/BaseInteractor.py | 179 +
src/sas/sasgui/plottools/LabelDialog.py | 43 +
src/sas/sasgui/plottools/LineModel.py | 107 +
src/sas/sasgui/plottools/PlotPanel.py | 2041 +
src/sas/sasgui/plottools/PropertyDialog.py | 116 +
src/sas/sasgui/plottools/RangeDialog.py | 101 +
src/sas/sasgui/plottools/SimpleFont.py | 114 +
src/sas/sasgui/plottools/SizeDialog.py | 38 +
src/sas/sasgui/plottools/TextDialog.py | 307 +
src/sas/sasgui/plottools/__init__.py | 3 +
src/sas/sasgui/plottools/arrow3d.py | 67 +
src/sas/sasgui/plottools/binder.py | 396 +
src/sas/sasgui/plottools/canvas.py | 269 +
src/sas/sasgui/plottools/config.py | 67 +
src/sas/sasgui/plottools/convert_units.py | 78 +
src/sas/sasgui/plottools/fitDialog.py | 770 +
src/sas/sasgui/plottools/fittings.py | 109 +
src/sas/sasgui/plottools/plottable_interactor.py | 231 +
src/sas/sasgui/plottools/plottables.py | 1283 +
src/sas/sasgui/plottools/toolbar.py | 172 +
src/sas/sasgui/plottools/transform.py | 413 +
test/README.rst | 16 +
test/calculatorview/test/utest_gui_sld.py | 191 +
test/calculatorview/test/utest_sld.py | 148 +
test/corfunc/test/98929.txt | 140 +
test/corfunc/test/utest_corfunc.py | 90 +
test/fileconverter/test/cansas1d.xml | 141 +
test/fileconverter/test/exp18_14_igor_2dqxqy.dat | 36883 ++++++
test/fileconverter/test/export2d.h5 | Bin 0 -> 1199296 bytes
test/fileconverter/test/utest_nxcansas_writer.py | 67 +
test/pr_inversion/test/data_error_1.txt | 87 +
test/pr_inversion/test/data_error_2.txt | 87 +
test/pr_inversion/test/data_error_3.txt | 87 +
test/pr_inversion/test/data_error_4.txt | 87 +
test/pr_inversion/test/data_error_5.txt | 87 +
test/pr_inversion/test/data_error_6.txt | 87 +
test/pr_inversion/test/sphere_80.txt | 100 +
test/pr_inversion/test/sphere_test_data.txt | 51 +
test/pr_inversion/test/utest_explorer.py | 34 +
test/pr_inversion/test/utest_invertor.py | 600 +
test/run_one.py | 21 +
test/sascalculator/test/A_Raw_Example-1.omf | 16036 +++
test/sascalculator/test/C_Example_Converted.txt | 7187 ++
test/sascalculator/test/CoreXY_ShellZ.txt | 553 +
test/sascalculator/test/beam profile.DAT | 1 +
test/sascalculator/test/c60.pdb | 68 +
test/sascalculator/test/sld_file.sld | 553 +
test/sascalculator/test/sphere697_r30.sld | 113105 ++++++++++++++++++
.../test/utest_resolution_calculator.py | 38 +
test/sascalculator/test/utest_sas_gen.py | 55 +
.../test/utest_slit_length_calculator.py | 33 +
test/sasdataloader/plugins/test_reader.py | 63 +
test/sasdataloader/test/AR07232_rest.ASC | 16403 +++
test/sasdataloader/test/ISIS_1_0.xml | 178 +
test/sasdataloader/test/ISIS_1_1.xml | 319 +
test/sasdataloader/test/ISIS_1_1_doubletrans.xml | 459 +
test/sasdataloader/test/ISIS_1_1_notrans.xml | 179 +
test/sasdataloader/test/MAR07232_rest.ASC | 16403 +++
test/sasdataloader/test/MP_New.sans | 16393 +++
test/sasdataloader/test/P_New.sans | 16393 +++
test/sasdataloader/test/S2-30dq.d1d | 134 +
test/sasdataloader/test/angles_flat.png | Bin 0 -> 10658 bytes
test/sasdataloader/test/angles_flat.txt | Bin 0 -> 10658 bytes
test/sasdataloader/test/ascii_test_1.txt | 24 +
test/sasdataloader/test/ascii_test_2.txt | 25 +
test/sasdataloader/test/ascii_test_3.txt | 24 +
test/sasdataloader/test/ascii_test_4.abs | 28 +
test/sasdataloader/test/ascii_test_5.txt | 22 +
test/sasdataloader/test/ascii_test_6.txt | 29 +
test/sasdataloader/test/avg_testdata.txt | 21 +
test/sasdataloader/test/cansas1d.xml | 141 +
test/sasdataloader/test/cansas1d_badunits.xml | 141 +
test/sasdataloader/test/cansas1d_notitle.xml | 140 +
test/sasdataloader/test/cansas1d_slit.xml | 141 +
test/sasdataloader/test/cansas1d_units.xml | 141 +
test/sasdataloader/test/cansas1d_v1_0.xsd | 238 +
test/sasdataloader/test/cansas1d_v1_1.xsd | 271 +
...sas_1Dand2D_multiplesasentry_multiplesasdata.h5 | Bin 0 -> 1074994 bytes
.../test/cansas_1Dand2D_samedatafile.h5 | Bin 0 -> 568267 bytes
.../test/cansas_1Dand2D_samesasentry.h5 | Bin 0 -> 1051998 bytes
test/sasdataloader/test/cansas_test.xml | 106 +
test/sasdataloader/test/cansas_test_modified.xml | 109 +
test/sasdataloader/test/corrupt.png | 16403 +++
test/sasdataloader/test/cyl_400_20.txt | 22 +
test/sasdataloader/test/empty.txt | 0
test/sasdataloader/test/error_conditions.py | 31 +
test/sasdataloader/test/exp18_14_igor_2dqxqy.dat | 36883 ++++++
test/sasdataloader/test/isis_1_0_write_test.xml | 0
test/sasdataloader/test/isis_1_1_write_test.xml | 0
test/sasdataloader/test/jan08002.ABS | 141 +
test/sasdataloader/test/ring_testdata.txt | 21 +
test/sasdataloader/test/sectorphi_testdata.txt | 20 +
test/sasdataloader/test/sectorq_testdata.txt | 20 +
test/sasdataloader/test/sequence_tests.py | 31 +
test/sasdataloader/test/simpleexamplefile.h5 | Bin 0 -> 6464 bytes
test/sasdataloader/test/slabx_testdata.txt | 50 +
test/sasdataloader/test/slaby_testdata.txt | 50 +
test/sasdataloader/test/testLoad.py | 171 +
test/sasdataloader/test/test_2_columns.date | 14 +
test/sasdataloader/test/test_2_columns.txt | 14 +
test/sasdataloader/test/test_3_columns.txt | 10 +
test/sasdataloader/test/test_data.test | 1 +
test/sasdataloader/test/testplugings.py | 67 +
test/sasdataloader/test/utest_abs_reader.py | 387 +
test/sasdataloader/test/utest_ascii.py | 103 +
test/sasdataloader/test/utest_averaging.py | 253 +
test/sasdataloader/test/utest_cansas.py | 323 +
test/sasdataloader/test/utest_red2d_reader.py | 34 +
test/sasdataloader/test/write_test.xml | 0
test/sasdataloader/test_log.txt | 3 +
test/sasguiframe/test/cansas1d.xml | 141 +
test/sasguiframe/test/utest_manipulations.py | 371 +
test/sasinvariant/test/PolySpheres.txt | 129 +
test/sasinvariant/test/latex_smeared.xml | 443 +
test/sasinvariant/test/latex_smeared_slit.xml | 117 +
test/sasinvariant/test/linefittest.txt | 10 +
test/sasinvariant/test/linefittest_no_weight.txt | 10 +
test/sasinvariant/test/utest_data_handling.py | 677 +
test/sasinvariant/test/utest_use_cases.py | 378 +
test/sasrealspace/test/coreshell_d=0.01_Iq.txt | 52 +
test/sasrealspace/test/coreshell_d=0.01_Iq2D.txt | 52 +
test/sasrealspace/test/coreshell_d=0.1_Iq.txt | 52 +
test/sasrealspace/test/coreshell_d=0.1_Iq2D.txt | 52 +
test/sasrealspace/test/coreshell_d=10_Iq2D.txt | 52 +
test/sasrealspace/test/coreshell_d=20_Iq2D.txt | 52 +
test/sasrealspace/test/coreshell_d=5_Iq2D.txt | 52 +
test/sasrealspace/test/cylinder_d=0.1_Iq.txt | 27 +
test/sasrealspace/test/cylinder_d=0.5_Iq2D.txt | 27 +
test/sasrealspace/test/cylinder_d=1_Iq2D.txt | 27 +
test/sasrealspace/test/early_test.py | 294 +
test/sasrealspace/test/ellipsoid_d=0.05_Iq.txt | 27 +
test/sasrealspace/test/ellipsoid_d=0.5_Iq2D.txt | 27 +
test/sasrealspace/test/helix_d=0.05_Iq.txt | 27 +
test/sasrealspace/test/sim_validation.py | 344 +
test/sasrealspace/test/sphere_d=0.02_Iq.txt | 27 +
test/sasrealspace/test/sphere_d=0.1_Iq.txt | 27 +
test/sasrealspace/test/sphere_d=2_Iq2D.txt | 27 +
test/sasrealspace/test/test-case.xml | 5 +
test/sasrealspace/test/test.pdb | 10 +
test/sasrealspace/test/utest_oriented.py | 486 +
test/sasrealspace/test/utest_realspace.py | 376 +
test/utest_sasview.py | 102 +
946 files changed, 744758 insertions(+)
diff --git a/.gitattributes b/.gitattributes
new file mode 100644
index 0000000..015b154
--- /dev/null
+++ b/.gitattributes
@@ -0,0 +1,5 @@
+*.sld linguist-language=Other
+*.asc linguist-language=Other
+Make.mm linguist-language=Makefile
+sasview/test/* linguist-language=Other
+* test=auto
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 0000000..0cc7956
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,61 @@
+# It is actually possible to list all the old svn ignore properties:
+#
+# svn pg -R svn:ignore .
+#
+# But there's a whole load of useless stuff in there that is no longer used.
+# Instead I did a clean build including the docs, ran the tests, and then ran
+# sasview for a bit and then did a git status to see what extra stuff was being
+# generated.
+#
+# Feel free to add more stuff to this as and when it becomes an issue.
+
+.project
+.pydevproject
+.vagrant
+.idea
+.settings/
+build
+dist
+sasview.egg-info
+sasview.egg-info
+
+.mplconfig
+doctrees
+html
+build
+
+/setup.cfg
+
+/dist
+**/build
+sasview.egg-info
+sasview-install
+**/test/logs
+*.pyc
+*.so
+default_categories.json
+
+/src/sas/models/*.py
+/src/sas/models/c_extension/c_models/c_models.cpp
+/src/sas/models/c_extension/python_wrapper/generated/
+/src/sas/models/media/.idea/
+
+/docs/sphinx-docs/build
+/docs/sphinx-docs/source-temp
+/docs/sphinx-docs/source/dev/api
+/docs/sphinx-docs/source/user/guiframe
+/docs/sphinx-docs/source/user/models
+/docs/sphinx-docs/source/user/perspectives
+/docs/sphinx-docs/source/user/sasgui
+
+
+# test outputs
+/test/pr_inversion/test/test_output.txt
+/test/sasdataloader/test/plugins.zip
+/test/sasdataloader/test/test_log.txt
+/test/sasdataloader/test/isis_1_0_write_test.xml
+/test/sasdataloader/test/isis_1_1_write_test.xml
+/test/sasdataloader/test/write_test.xml
+
+# autogenerated scripts
+/sasview/installer.iss
diff --git a/.project b/.project
new file mode 100644
index 0000000..a79b128
--- /dev/null
+++ b/.project
@@ -0,0 +1,17 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<projectDescription>
+ <name>sasview</name>
+ <comment></comment>
+ <projects>
+ </projects>
+ <buildSpec>
+ <buildCommand>
+ <name>org.python.pydev.PyDevBuilder</name>
+ <arguments>
+ </arguments>
+ </buildCommand>
+ </buildSpec>
+ <natures>
+ <nature>org.python.pydev.pythonNature</nature>
+ </natures>
+</projectDescription>
diff --git a/.pydevproject b/.pydevproject
new file mode 100644
index 0000000..c6fb8f6
--- /dev/null
+++ b/.pydevproject
@@ -0,0 +1,8 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<?eclipse-pydev version="1.0"?><pydev_project>
+<pydev_property name="org.python.pydev.PYTHON_PROJECT_INTERPRETER">Default</pydev_property>
+<pydev_property name="org.python.pydev.PYTHON_PROJECT_VERSION">python 2.7</pydev_property>
+<pydev_pathproperty name="org.python.pydev.PROJECT_SOURCE_PATH">
+<path>/sasview4/src</path>
+</pydev_pathproperty>
+</pydev_project>
diff --git a/.travis.yml b/.travis.yml
new file mode 100644
index 0000000..183004d
--- /dev/null
+++ b/.travis.yml
@@ -0,0 +1,38 @@
+# Test Travis CL
+
+language: python
+python:
+ - "2.7"
+# whitelist
+branches:
+ only:
+ - master
+# command to install dependencies
+virtualenv:
+ system_site_packages: true
+before_install:
+ - 'if [ $TRAVIS_PYTHON_VERSION == "2.7" ]; then sudo apt-get update;sudo apt-get install python-matplotlib libhdf5-serial-dev python-h5py fglrx opencl-headers python-pyopencl gfortran libblas-dev liblapack-dev libatlas-dev; fi'
+
+install:
+ - pip install -r build_tools/requirements.txt
+
+before_script:
+ - "export DISPLAY=:99.0"
+ - "sh -e /etc/init.d/xvfb start"
+ - sleep 3 # give xvfb some time to start
+
+script:
+ - export WORKSPACE=/home/travis/build/SasView/
+ - cd $WORKSPACE
+ - git clone --depth=50 --branch=master https://github.com/SasView/sasmodels.git sasmodels
+ - export PYTHONPATH=$WORKSPACE/sasview-install:$WORKSPACE/utils:$PYTHONPATH
+ - cd $WORKSPACE
+ - ls -ltr
+ - if [ ! -d "utils" ]; then mkdir utils; fi
+ - /bin/sh -xe sasview/build_tools/travis_build.sh
+# - /bin/sh -xe sasview/build_tools/jenkins_linux_test.sh
+ - export LC_ALL=en_US.UTF-8
+ - export LANG=en_US.UTF-8
+# - python setup.py docs; echo 0
+# - python setup.py bdist_egg --skip-build
+
diff --git a/INSTALL.txt b/INSTALL.txt
new file mode 100644
index 0000000..f2d474f
--- /dev/null
+++ b/INSTALL.txt
@@ -0,0 +1,51 @@
+Quick Intro for Building Sasview
+================================
+
+Note - at the current time sasview will only run in gui form under Python 2.
+
+Before trying to install and run sasview you'll need to check what
+dependencies are required:
+
+$ python check_packages.py
+
+Many of these are available from PyPi, but some (e.g. h5py) may require more
+involvement to build and install. If you use the conda package manager then
+many of the pre-built dependencies are available there. This may be the easiest
+route if you are on windows.
+
+The build works in the pythonic way:
+
+$ python setup.py build # will build the package underneath 'build/'
+$ python setup.py install # will install the package into site-packages
+
+
+If you want to check the build without installing:
+
+$ python run.py # will run the code in place (building the C code once, if required)
+
+On OSX or windows you may need to use:
+
+$ pythonw run.py
+
+
+Build scripts that are used on http://build.sasview.org/ are in
+build_tools. Make sure the build is run first obviously.
+
+$ build_tools/jenkins_linux_build.sh
+$ build_tools/jenkins_linux_test.sh
+$ build_tools/jenkins_linux_pylint.sh
+
+The scripts can be customized using environment variables, but
+should do a reasonable job as is in a sane setup.
+
+
+
+To build just the Sphinx docs:
+build_sphinx.py
+
+
+More information can be found here:
+
+http://www.sasview.org/help.html
+http://www.sasview.org/faq.html
+http://www.sasview.org/trac/wiki/DevNotes
diff --git a/LICENSE.TXT b/LICENSE.TXT
new file mode 100644
index 0000000..07ccd17
--- /dev/null
+++ b/LICENSE.TXT
@@ -0,0 +1,12 @@
+Copyright (c) 2009-2017, SasView Developers
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
+
+1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
+
+2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
+
+3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROF [...]
diff --git a/README.md b/README.md
new file mode 100644
index 0000000..0e8aafb
--- /dev/null
+++ b/README.md
@@ -0,0 +1,8 @@
+[SasView](http://www.sasview.org) is a Small Angle Scattering (SAS) analysis package for the analysis of 1D and 2D scattering data directly in inverse space. The focus was originally on neutron data (SANS) but has been used for X-ray’s as well and includes a tool for determining a slit resolution for the SAXSess instrument. SansView also includes PrView to invert SAS data to P(r), a resolution calculator, and a scattering length density calculator among others tools. A simple plugin mech [...]
+
+This project was initiated by the NSF funded DANSE project, DMR-0520547, SANS sub-project at the University of Tennessee Knoxville. Acknowledgement of that original funding would be appreciated in any publications that make use of the software.
+
+[SasView website](http://www.sasview.org)
+
+[](https://travis-ci.org/SasView/sasview)
+
diff --git a/Vagrantfile b/Vagrantfile
new file mode 100644
index 0000000..4e88c02
--- /dev/null
+++ b/Vagrantfile
@@ -0,0 +1,43 @@
+# -*- mode: ruby -*-
+# vi: set ft=ruby :
+
+# This allows you to build sasview using vagrant
+# for the moment you can build Ubuntu on any platform supported by vagrant
+# (Linux, Mac, Windows)
+# You will need VirtualBox as well.
+# Download pages:
+# http://www.vagrantup.com/downloads
+# https://www.virtualbox.org/wiki/Downloads
+
+# All Vagrant configuration is done below. The "2" in Vagrant.configure
+# configures the configuration version (we support older styles for
+# backwards compatibility). Please don't change it unless you know what
+# you're doing.
+Vagrant.configure(2) do |config|
+ # The most common configuration options are documented and commented below.
+ # For a complete reference, please see the online documentation at
+ # https://docs.vagrantup.com.
+
+ # Every Vagrant development environment requires a box. You can search for
+ # boxes at https://atlas.hashicorp.com/search.
+ config.vm.box = "ubuntu/trusty64"
+ #config.vm.box = "fedora19"
+ #config.vm.box_url = "https://dl.dropboxusercontent.com/u/86066173/fedora-19.box"
+ #config.vm.box = "fedora20"
+ #config.vm.box_url = "https://dl.dropboxusercontent.com/u/15733306/vagrant/fedora-20-netinst-2014_01_05-minimal-puppet-guestadditions.box"
+
+ # Provider-specific configuration so you can fine-tune various
+ # backing providers for Vagrant. These expose provider-specific options.
+ # Example for VirtualBox:
+ #
+ config.vm.provider "virtualbox" do |vb|
+ # # Display the VirtualBox GUI when booting the machine
+ # vb.gui = true
+ #
+ # # Customize the amount of memory on the VM:
+ vb.memory = "1024"
+ vb.cpus = "1"
+ end
+ #
+ config.vm.provision :shell, :path => "Vagrantprovision.sh"
+end
diff --git a/Vagrantprovision.sh b/Vagrantprovision.sh
new file mode 100644
index 0000000..f9c319c
--- /dev/null
+++ b/Vagrantprovision.sh
@@ -0,0 +1,21 @@
+#! /bin/bash
+
+sed -i 's,http://us.archive.ubuntu.com/ubuntu/,mirror://mirrors.ubuntu.com/mirrors.txt,' /etc/apt/sources.list
+apt-get update
+
+apt-get install -y xvfb git python-pip pkg-config libfreetype6-dev libpng-dev python-dev python-wxtools pylint python-matplotlib python-numpy python-sphinx python-xmlrunner python-pisa python-setuptools python-scipy python-pyparsing python-html5lib python-reportlab python-lxml python-pil
+pip install bumps comtypes periodictable
+
+cat >> ~vagrant/.bashrc <<EOF
+export LANG=en_US.UTF-8
+export LC_ALL=en_US.UTF-8
+export LC_CTYPE=en_US.UTF-8
+sasview-compile() {
+cd /vagrant
+sh ./build_tools/jenkins_linux_build.sh
+}
+sasview-test() {
+cd /vagrant
+sh ./build_tools/jenkins_linux_test.sh
+}
+EOF
diff --git a/build_tools/Makefile_RHEL7 b/build_tools/Makefile_RHEL7
new file mode 100644
index 0000000..8e856cf
--- /dev/null
+++ b/build_tools/Makefile_RHEL7
@@ -0,0 +1,45 @@
+# For the docs to build and go in the right place, docs/sphinx-docs/build_sphinx.py
+# has to be modified with
+# SASVIEW_DOCS = os.path.join(SASVIEW_BUILD, "sas/sasview/doc")
+
+site_packages := `python -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())"`
+
+prefix := '../../'
+
+check:
+ # Check dependencies
+ @cd ..; python check_packages.py
+
+sasmodels/core:
+ cd ${prefix}sasmodels; rm -rf build
+ cd ${prefix}sasmodels; rm -rf dist
+ cd ${prefix}sasmodels; python setup.py clean
+ cd ${prefix}sasmodels; python setup.py build
+
+sasmodels/docs:
+ cd ${prefix}sasmodels/doc; make html
+
+sasmodels: sasmodels/core sasmodels/docs
+ @rm -rf ${prefix}sasmodels/build
+ @rm -rf ${prefix}sasmodels/dist
+ cd ${prefix}sasmodels; python setup.py bdist_egg
+
+sasview:
+ @rm -rf ../build
+ @rm -rf ../dist
+ @cd ..; python setup.py build docs bdist_egg
+
+rpm:
+ @echo "Creating RPMs"
+ rm -rf ../build/sasview
+ mkdir ../build/sasview
+ cp -pr ../dist/sasview*.egg ../build/sasview
+ cp -pr ${prefix}sasmodels/dist/sasmodels*.egg ../build/sasview
+
+ cd ../build;tar -czf ~/rpmbuild/SOURCES/sasview.tgz sasview
+ rpmbuild -ba sasview.spec
+
+.PHONY: check
+.PHONY: sasview
+.PHONY: rpm
+.PHONY: sasmodels
diff --git a/build_tools/conda/README.md b/build_tools/conda/README.md
new file mode 100644
index 0000000..aa4586d
--- /dev/null
+++ b/build_tools/conda/README.md
@@ -0,0 +1,53 @@
+# Conda Recipes
+
+Here we store the recipes for building conda packages of the dependencies of SasView. These are dependencies that unforunately do not come pre-bundled with Anaconda.
+
+## Creating a Recipe
+
+An easy way to get started with a recipe is to use the skeleton command that comes with conda, which looks for all the information it needs on PyPi (of course, this will only work if the module exists on PyPi...):
+
+```
+conda skeleton pypi package_name
+```
+
+This automatically chooses the most recent version up on PyPi. You may specify an older version as follows:
+
+```
+conda skeleton pypi package_name --version 1.0.9
+```
+
+If you run `conda skeleton` from this directory, then the recipes will go into the right place.
+
+If you're lucky this is all you will need to ever do to create a new recipe, but you may need to go in and tinker with the meta.yaml file from time to time.
+
+## Issues
+
+* Sometimes downloading the package from PyPi is problematic. You may see something like the following:
+
+ ```
+ Error: Could not open 'C:\\TempAnaconda\\conda-bld\\src_cache\\showfiles.php?group_id=15583.part' for writing ([Errno 22] invalid mode ('wb') or filename: 'C:\\TempAnaconda\\conda-bld\\src_cache\\showfiles.php?group_id=15583.part').
+ ```
+
+ If so, the `source:` values in meta.yaml are pointing to external urls that are not direct links to the downloads (in the case above, a .php link). Change `fn:` and `url:` from `http://sourceforge.net/project/showfiles.php?group_id=15583` or similar to an actual link to a .zip of .tar.gz. Remember to add a correct `mdf:` property so that future users have their downloads checked.
+
+* I once tried to use recipes generated with older versions of conda and ran into problems. Your options here are either to hack away at the recipe until it works, or just re-generate the recipe with skeleton.
+
+# Building a Conda Package and Uploading to Binstar
+
+```
+conda build bumps\
+```
+
+```
+TEST END: bumps-0.7.5.4-py27_0
+# If you want to upload this package to binstar.org later, type:
+#
+# $ binstar upload C:\TempAnaconda\conda-bld\win-32\bumps-0.7.5.4-py27_0.tar.bz2
+#
+# To have conda build upload to binstar automatically, use
+# $ conda config --set binstar_upload yes
+```
+
+# Useful Links
+
+* http://conda.pydata.org/docs/build.html
\ No newline at end of file
diff --git a/build_tools/conda/altgraph/bld.bat b/build_tools/conda/altgraph/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/altgraph/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/altgraph/build.sh b/build_tools/conda/altgraph/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/altgraph/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/altgraph/meta.yaml b/build_tools/conda/altgraph/meta.yaml
new file mode 100644
index 0000000..5138219
--- /dev/null
+++ b/build_tools/conda/altgraph/meta.yaml
@@ -0,0 +1,61 @@
+package:
+ name: altgraph
+ version: !!str 0.12
+
+source:
+ fn: altgraph-0.12.tar.gz
+ url: https://pypi.python.org/packages/source/a/altgraph/altgraph-0.12.tar.gz
+ md5: 916dca277fb2b747d5b1ec05b54a0825
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - altgraph = altgraph:main
+ #
+ # Would create an entry point called altgraph that calls altgraph.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+
+ run:
+ - python
+ - setuptools
+
+test:
+ # Python imports
+ imports:
+ - altgraph
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://packages.python.org/altgraph
+ license: MIT License
+ summary: 'Python graph (network) package'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/appdirs/bld.bat b/build_tools/conda/appdirs/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/appdirs/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/appdirs/build.sh b/build_tools/conda/appdirs/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/appdirs/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/appdirs/meta.yaml b/build_tools/conda/appdirs/meta.yaml
new file mode 100644
index 0000000..52ac87a
--- /dev/null
+++ b/build_tools/conda/appdirs/meta.yaml
@@ -0,0 +1,60 @@
+package:
+ name: appdirs
+ version: !!str 1.4.0
+
+source:
+ fn: appdirs-1.4.0.tar.gz
+ url: https://pypi.python.org/packages/source/a/appdirs/appdirs-1.4.0.tar.gz
+ md5: 1d17b4c9694ab84794e228f28dc3275b
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - appdirs = appdirs:main
+ #
+ # Would create an entry point called appdirs that calls appdirs.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+
+ run:
+ - python
+
+test:
+ # Python imports
+ imports:
+ - appdirs
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://github.com/ActiveState/appdirs
+ license: MIT License
+ summary: 'A small Python module for determining appropriate " + "platform-specific dirs, e.g. a "user data dir".'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/bumps/bld.bat b/build_tools/conda/bumps/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/bumps/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/bumps/build.sh b/build_tools/conda/bumps/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/bumps/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/bumps/meta.yaml b/build_tools/conda/bumps/meta.yaml
new file mode 100644
index 0000000..66d4708
--- /dev/null
+++ b/build_tools/conda/bumps/meta.yaml
@@ -0,0 +1,69 @@
+package:
+ name: bumps
+ version: !!str 0.7.5.9
+
+source:
+ fn: bumps-0.7.5.9.tar.gz
+ url: https://pypi.python.org/packages/source/b/bumps/bumps-0.7.5.9.tar.gz
+ md5: a47c035fbb18afa5ca53067506a5ff1c
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - bumps = bumps:main
+ #
+ # Would create an entry point called bumps that calls bumps.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - six
+
+ run:
+ - python
+ - six
+
+test:
+ # Python imports
+ imports:
+ - bumps
+ - bumps.dream
+ - bumps.gui
+ - bumps.gui.resources
+ - bumps.mystic
+ - bumps.mystic.examples
+ - bumps.mystic.optimizer
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ requires:
+ - numpy
+ - scipy
+ - matplotlib
+
+about:
+ home: http://www.reflectometry.org/danse/software.html
+ license: UNKNOWN
+ summary: 'Data fitting with bayesian uncertainty analysis'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/macholib/bld.bat b/build_tools/conda/macholib/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/macholib/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/macholib/build.sh b/build_tools/conda/macholib/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/macholib/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/macholib/meta.yaml b/build_tools/conda/macholib/meta.yaml
new file mode 100644
index 0000000..dffbc01
--- /dev/null
+++ b/build_tools/conda/macholib/meta.yaml
@@ -0,0 +1,64 @@
+package:
+ name: macholib
+ version: !!str 1.7
+
+source:
+ fn: macholib-1.7.tar.gz
+ url: https://pypi.python.org/packages/source/m/macholib/macholib-1.7.tar.gz
+ md5: cf03a55323d5b7ca59be530ba0b01032
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+build:
+ #preserve_egg_dir: True
+ entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - macholib = macholib:main
+ #
+ # Would create an entry point called macholib that calls macholib.main()
+
+ - macho_find = macholib.macho_find:main
+ - macho_standalone = macholib.macho_standalone:main
+ - macho_dump = macholib.macho_dump:main
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - altgraph >=0.12
+
+ run:
+ - python
+ - altgraph >=0.12
+
+test:
+ # Python imports
+ imports:
+ - macholib
+
+ commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://bitbucket.org/ronaldoussoren/macholib
+ license: MIT License
+ summary: 'Mach-O header analysis and editing'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/mako/bld.bat b/build_tools/conda/mako/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/mako/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/mako/build.sh b/build_tools/conda/mako/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/mako/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/mako/meta.yaml b/build_tools/conda/mako/meta.yaml
new file mode 100644
index 0000000..3ba7a52
--- /dev/null
+++ b/build_tools/conda/mako/meta.yaml
@@ -0,0 +1,66 @@
+package:
+ name: mako
+ version: !!str 1.0.1
+
+source:
+ fn: Mako-1.0.1.tar.gz
+ url: https://pypi.python.org/packages/source/M/Mako/Mako-1.0.1.tar.gz
+ md5: 9f0aafd177b039ef67b90ea350497a54
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+build:
+ #preserve_egg_dir: True
+ entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - mako = mako:main
+ #
+ # Would create an entry point called mako that calls mako.main()
+
+ - mako-render=mako.cmd:cmdline
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - markupsafe >=0.9.2
+
+ run:
+ - python
+ - setuptools
+ - markupsafe >=0.9.2
+
+test:
+ # Python imports
+ imports:
+ - mako
+ - mako.ext
+
+ commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+ - mako-render --help
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://www.makotemplates.org/
+ license: MIT
+ summary: 'A super-fast templating language that borrows the best ideas from the existing templating languages.'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/modulegraph/bld.bat b/build_tools/conda/modulegraph/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/modulegraph/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/modulegraph/build.sh b/build_tools/conda/modulegraph/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/modulegraph/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/modulegraph/meta.yaml b/build_tools/conda/modulegraph/meta.yaml
new file mode 100644
index 0000000..2bf00ea
--- /dev/null
+++ b/build_tools/conda/modulegraph/meta.yaml
@@ -0,0 +1,62 @@
+package:
+ name: modulegraph
+ version: !!str 0.12
+
+source:
+ fn: modulegraph-0.12.tar.gz
+ url: https://pypi.python.org/packages/source/m/modulegraph/modulegraph-0.12.tar.gz
+ md5: 188bfb66058f7f446f04145d0ac63359
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+build:
+ #preserve_egg_dir: True
+ entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - modulegraph = modulegraph:main
+ #
+ # Would create an entry point called modulegraph that calls modulegraph.main()
+
+ - modulegraph = modulegraph.__main__:main
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - altgraph >=0.12
+
+ run:
+ - python
+ - altgraph >=0.12
+
+test:
+ # Python imports
+ imports:
+ - modulegraph
+
+ commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://bitbucket.org/ronaldoussoren/modulegraph
+ license: MIT License
+ summary: 'Python module dependency analysis tool'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/periodictable/bld.bat b/build_tools/conda/periodictable/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/periodictable/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/periodictable/build.sh b/build_tools/conda/periodictable/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/periodictable/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/periodictable/meta.yaml b/build_tools/conda/periodictable/meta.yaml
new file mode 100644
index 0000000..4ef686b
--- /dev/null
+++ b/build_tools/conda/periodictable/meta.yaml
@@ -0,0 +1,64 @@
+package:
+ name: periodictable
+ version: !!str 1.4.1
+
+source:
+ fn: periodictable-1.4.1.tar.gz
+ url: https://pypi.python.org/packages/source/p/periodictable/periodictable-1.4.1.tar.gz
+ md5: 7246b63cc0b6b1be6e86b6616f9e866e
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - periodictable = periodictable:main
+ #
+ # Would create an entry point called periodictable that calls periodictable.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - pyparsing
+ - numpy
+
+ run:
+ - python
+ - pyparsing
+ - numpy
+
+test:
+ # Python imports
+ imports:
+ - periodictable
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://www.reflectometry.org/danse/elements.html
+ license: public domain
+ summary: 'Extensible periodic table of the elements'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/py2app/bld.bat b/build_tools/conda/py2app/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/py2app/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/py2app/build.sh b/build_tools/conda/py2app/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/py2app/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/py2app/meta.yaml b/build_tools/conda/py2app/meta.yaml
new file mode 100644
index 0000000..a1e0b7c
--- /dev/null
+++ b/build_tools/conda/py2app/meta.yaml
@@ -0,0 +1,74 @@
+package:
+ name: py2app
+ version: !!str 0.9
+
+source:
+ fn: py2app-0.9.tar.gz
+ url: https://pypi.python.org/packages/source/p/py2app/py2app-0.9.tar.gz
+ md5: eb31f5fefcf80aeaf4d02ec68d5978b4
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+build:
+ #preserve_egg_dir: True
+ entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - py2app = py2app:main
+ #
+ # Would create an entry point called py2app that calls py2app.main()
+
+ - py2applet = py2app.script_py2applet:main
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - altgraph >=0.12
+ - modulegraph >=0.12
+ - macholib >=1.5
+
+ run:
+ - python
+ - altgraph >=0.12
+ - modulegraph >=0.12
+ - macholib >=1.5
+
+test:
+ # Python imports
+ imports:
+ - py2app
+ - py2app.apptemplate
+ - py2app.bootstrap
+ - py2app.bundletemplate
+ - py2app.converters
+ - py2app.recipes
+ - py2app.recipes.PIL
+
+ commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+ - py2applet --help
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://bitbucket.org/ronaldoussoren/py2app
+ license: MIT License
+ summary: 'Create standalone Mac OS X applications with Python'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/py2exe/bld.bat b/build_tools/conda/py2exe/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/py2exe/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/py2exe/build.sh b/build_tools/conda/py2exe/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/py2exe/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/py2exe/meta.yaml b/build_tools/conda/py2exe/meta.yaml
new file mode 100644
index 0000000..9da9c13
--- /dev/null
+++ b/build_tools/conda/py2exe/meta.yaml
@@ -0,0 +1,59 @@
+package:
+ name: py2exe
+ version: !!str 0.6.9
+
+source:
+ fn: py2exe-0.6.9.zip
+ url: http://sourceforge.net/projects/py2exe/files/py2exe/0.6.9/py2exe-0.6.9.zip
+ md5: 788df97c3ceb11368c3a938e5acef0b2
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - py2exe = py2exe:main
+ #
+ # Would create an entry point called py2exe that calls py2exe.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+
+ run:
+ - python
+
+test:
+ # Python imports
+ imports:
+ - py2exe
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://www.py2exe.org/
+ license: MIT/X11, MPL 1.1
+ summary: 'Build standalone executables for Windows'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/pyopencl/bld.bat b/build_tools/conda/pyopencl/bld.bat
new file mode 100644
index 0000000..e619711
--- /dev/null
+++ b/build_tools/conda/pyopencl/bld.bat
@@ -0,0 +1,21 @@
+xcopy %RECIPE_DIR%\bin %PREFIX%\DLLs /E
+xcopy %RECIPE_DIR%\include %PREFIX%\include /E
+xcopy %RECIPE_DIR%\lib %PREFIX%\libs /E
+
+xcopy %RECIPE_DIR%\bin %PREFIX%\Library\bin /E
+xcopy %RECIPE_DIR%\include %PREFIX%\Library\include /E
+xcopy %RECIPE_DIR%\lib %PREFIX%\Library\lib /E
+
+::"%PYTHON%" setup.py build -cmingw32
+"%PYTHON%" configure.py
+if errorlevel 1 exit 1
+"%PYTHON%" setup.py build
+if errorlevel 1 exit 1
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/pyopencl/build.sh b/build_tools/conda/pyopencl/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/pyopencl/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/pyopencl/meta.yaml b/build_tools/conda/pyopencl/meta.yaml
new file mode 100644
index 0000000..c8f2809
--- /dev/null
+++ b/build_tools/conda/pyopencl/meta.yaml
@@ -0,0 +1,73 @@
+package:
+ name: pyopencl
+ version: !!str 2015.1
+
+source:
+ fn: pyopencl-2015.1.tar.gz
+ url: https://pypi.python.org/packages/source/p/pyopencl/pyopencl-2015.1.tar.gz
+ md5: c7b9dd0bb113ad852dae6fdadd417899
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - pyopencl = pyopencl:main
+ #
+ # Would create an entry point called pyopencl that calls pyopencl.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - numpy
+ - pytools >=2014.2
+ - pytest >=2
+ - decorator >=3.2.0
+ - appdirs >=1.4.0
+
+ run:
+ - python
+ - setuptools
+ - numpy
+ - pytools >=2014.2
+ - pytest >=2
+ - decorator >=3.2.0
+ - appdirs >=1.4.0
+
+test:
+ # Python imports
+ imports:
+ - pyopencl
+ - pyopencl.characterize
+ - pyopencl.compyte
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://mathema.tician.de/software/pyopencl
+ license: MIT License
+ summary: 'Python wrapper for OpenCL'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/pypdf2/bld.bat b/build_tools/conda/pypdf2/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/pypdf2/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/pypdf2/build.sh b/build_tools/conda/pypdf2/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/pypdf2/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/pypdf2/meta.yaml b/build_tools/conda/pypdf2/meta.yaml
new file mode 100644
index 0000000..3d5624b
--- /dev/null
+++ b/build_tools/conda/pypdf2/meta.yaml
@@ -0,0 +1,59 @@
+package:
+ name: pypdf2
+ version: !!str 1.24
+
+source:
+ fn: PyPDF2-1.24.tar.gz
+ url: https://pypi.python.org/packages/source/P/PyPDF2/PyPDF2-1.24.tar.gz
+ md5: 87cbb41c24bd98e6f70a37bb4a97446c
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - pypdf2 = pypdf2:main
+ #
+ # Would create an entry point called pypdf2 that calls pypdf2.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+
+ run:
+ - python
+
+test:
+ # Python imports
+ imports:
+ - PyPDF2
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://mstamy2.github.com/PyPDF2
+ license: BSD License
+ summary: 'PDF toolkit'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/pytools/bld.bat b/build_tools/conda/pytools/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/pytools/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/pytools/build.sh b/build_tools/conda/pytools/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/pytools/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/pytools/meta.yaml b/build_tools/conda/pytools/meta.yaml
new file mode 100644
index 0000000..df5345e
--- /dev/null
+++ b/build_tools/conda/pytools/meta.yaml
@@ -0,0 +1,66 @@
+package:
+ name: pytools
+ version: !!str 2014.3.5
+
+source:
+ fn: pytools-2014.3.5.tar.gz
+ url: https://pypi.python.org/packages/source/p/pytools/pytools-2014.3.5.tar.gz
+ md5: 7f8e9d6a88090a601e96a9ee095d3512
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - pytools = pytools:main
+ #
+ # Would create an entry point called pytools that calls pytools.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - decorator >=3.2.0
+ - appdirs >=1.4.0
+ - six
+
+ run:
+ - python
+ - decorator >=3.2.0
+ - appdirs >=1.4.0
+ - six
+
+test:
+ # Python imports
+ imports:
+ - pytools
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://pypi.python.org/pypi/pytools
+ license: MIT License
+ summary: 'A collection of tools for Python'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/unittest-xml-reporting/bld.bat b/build_tools/conda/unittest-xml-reporting/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/unittest-xml-reporting/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/unittest-xml-reporting/build.sh b/build_tools/conda/unittest-xml-reporting/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/unittest-xml-reporting/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/unittest-xml-reporting/meta.yaml b/build_tools/conda/unittest-xml-reporting/meta.yaml
new file mode 100644
index 0000000..fa2b4a7
--- /dev/null
+++ b/build_tools/conda/unittest-xml-reporting/meta.yaml
@@ -0,0 +1,64 @@
+package:
+ name: unittest-xml-reporting
+ version: !!str 1.10.0
+
+source:
+ fn: unittest-xml-reporting-1.10.0.tar.gz
+ url: https://pypi.python.org/packages/source/u/unittest-xml-reporting/unittest-xml-reporting-1.10.0.tar.gz
+ md5: f0d04be2b9bff5b744677b576c326620
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+# build:
+ #preserve_egg_dir: True
+ #entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - unittest-xml-reporting = unittest-xml-reporting:main
+ #
+ # Would create an entry point called unittest-xml-reporting that calls unittest-xml-reporting.main()
+
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - six >=1.4.0
+
+ run:
+ - python
+ - six >=1.4.0
+
+test:
+ # Python imports
+ imports:
+ - xmlrunner
+ - xmlrunner.extra
+ - xmlrunner.tests
+
+ #commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://github.com/xmlrunner/unittest-xml-reporting/tree/master/
+ license: BSD License
+ summary: 'unittest-based test runner with Ant/JUnit like XML reporting.'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/conda/xhtml2pdf/bld.bat b/build_tools/conda/xhtml2pdf/bld.bat
new file mode 100644
index 0000000..87b1481
--- /dev/null
+++ b/build_tools/conda/xhtml2pdf/bld.bat
@@ -0,0 +1,8 @@
+"%PYTHON%" setup.py install
+if errorlevel 1 exit 1
+
+:: Add more build steps here, if they are necessary.
+
+:: See
+:: http://docs.continuum.io/conda/build.html
+:: for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/xhtml2pdf/build.sh b/build_tools/conda/xhtml2pdf/build.sh
new file mode 100644
index 0000000..4d7fc03
--- /dev/null
+++ b/build_tools/conda/xhtml2pdf/build.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+$PYTHON setup.py install
+
+# Add more build steps here, if they are necessary.
+
+# See
+# http://docs.continuum.io/conda/build.html
+# for a list of environment variables that are set during the build process.
diff --git a/build_tools/conda/xhtml2pdf/meta.yaml b/build_tools/conda/xhtml2pdf/meta.yaml
new file mode 100644
index 0000000..8bad792
--- /dev/null
+++ b/build_tools/conda/xhtml2pdf/meta.yaml
@@ -0,0 +1,73 @@
+package:
+ name: xhtml2pdf
+ version: !!str 0.0.6
+
+source:
+ fn: xhtml2pdf-0.0.6.tar.gz
+ url: https://pypi.python.org/packages/source/x/xhtml2pdf/xhtml2pdf-0.0.6.tar.gz
+ md5: dee3703f768efcba26eab81a4207c2c8
+# patches:
+ # List any patch files here
+ # - fix.patch
+
+build:
+ #preserve_egg_dir: True
+ entry_points:
+ # Put any entry points (scripts to be generated automatically) here. The
+ # syntax is module:function. For example
+ #
+ # - xhtml2pdf = xhtml2pdf:main
+ #
+ # Would create an entry point called xhtml2pdf that calls xhtml2pdf.main()
+
+ - pisa = xhtml2pdf.pisa:command
+ - xhtml2pdf = xhtml2pdf.pisa:command
+
+ # If this is a new build for the same version, increment the build
+ # number. If you do not include this key, it defaults to 0.
+ # number: 1
+
+requirements:
+ build:
+ - python
+ - setuptools
+ - html5lib
+ - pypdf2
+ - pillow
+ - reportlab >=2.2
+
+ run:
+ - python
+ - html5lib
+ - pypdf2
+ - pillow
+ - reportlab >=2.2
+
+test:
+ # Python imports
+ imports:
+ - xhtml2pdf
+ - xhtml2pdf.w3c
+
+ commands:
+ # You can put test commands to be run here. Use this to test that the
+ # entry points work.
+
+ - pisa --help
+ - xhtml2pdf --help
+
+ # You can also put a file called run_test.py in the recipe that will be run
+ # at test time.
+
+ # requires:
+ # Put any additional test requirements here. For example
+ # - nose
+
+about:
+ home: http://www.xhtml2pdf.com
+ license: Apache Software License
+ summary: 'PDF generator using HTML and CSS'
+
+# See
+# http://docs.continuum.io/conda/build.html for
+# more information about meta.yaml
diff --git a/build_tools/deploy.bat b/build_tools/deploy.bat
new file mode 100755
index 0000000..bcb34bd
--- /dev/null
+++ b/build_tools/deploy.bat
@@ -0,0 +1,9 @@
+ at echo off
+cd "c:\program files\putty"
+
+rem Copy new installer to the temp directory on the test server
+pscp -scp -v -i sasview.ppk C:\jenkins\workspace\SasView_Win7\sasview\sasview\Output\setupSasView.exe sasview at 192.168.1.18:AppData\Local\Temp\
+rem Execute the test on the remote server
+plink -i sasview.ppk -ssh sasview at 192.168.1.18 c:\\jenkins\\test_deployment.bat
+
+cd c:\jenkins
diff --git a/build_tools/dmgpack.sh b/build_tools/dmgpack.sh
new file mode 100755
index 0000000..5ae874c
--- /dev/null
+++ b/build_tools/dmgpack.sh
@@ -0,0 +1,65 @@
+#! /bin/bash
+
+# dmgpack volume [file|dir]+
+#
+# Copy a group of files/directories to a compressed disk image.
+# The resulting image is stored in volume.dmg.
+#
+# Files are copied with 'ditto' to preserve resource forks. For
+# convenience we also call FixupResourceForks after copying. This
+# allows you to use /Developer/Tools/SplitFork on your tree and
+# manipulate it with CVS, tar, etc. Don't forget the -kb option
+# when adding or committing app and ._app files to CVS!
+#
+# This command will fail if a volume of the given name is already
+# mounted. It could also fail if the size of the resource forks
+# is large compared to the size of the data forks. Change the
+# scale factor internally from 11/10 to a more appropriate number
+# if it complains it is running out of space.
+#
+# It is possible to add a license agreement to a dmg file. See
+# the "Software License Agreements for UDIFs" sdk available at
+# http://developer.apple.com/sdk/index.html
+
+test $# -lt 2 && echo "usage: $0 diskname [file|dir]+" && exit 1
+#set -x
+NAME="${1%.dmg}" ; shift
+DISK=/tmp/dmgpack$$.dmg
+COMPRESSED="$NAME.dmg"
+VOLUME="$NAME"
+
+# compute needed image size; scale it by 10%
+SIZE=$(du -ck "$@" | tail -1 | sed -e 's/ *total//')
+SIZE=$(echo $SIZE*11/10 | bc)
+test $SIZE -lt 4200 && SIZE=4200
+
+# create the disk
+rm -f $DISK
+hdiutil create -size ${SIZE}k $DISK -layout NONE
+
+# create a file system on the disk; last line of output is
+# the device on which the disk was attached.
+DEVICE=$(hdiutil attach $DISK -nomount | tail -1)
+newfs_hfs -v "$VOLUME" $DEVICE
+
+# mount the file system
+mkdir $DISK-mount
+mount -t hfs $DEVICE $DISK-mount || (echo "mount $DISK-mount failed" && exit 1)
+
+# copy stuff to the disk and fixup resource forks
+for f in "$@"; do
+ f=${f%/} ;# strip trailing /
+ dest="$DISK-mount/${f##*/}"
+ ditto -rsrc "$f" "$dest"
+ test -d "$f" && /System/Library/CoreServices/FixupResourceForks "$dest"
+done
+
+# eject the disk
+umount $DISK-mount
+rmdir $DISK-mount
+hdiutil eject $DEVICE
+
+# compress the disk and make it read only
+rm -f "$COMPRESSED"
+hdiutil convert -format UDZO $DISK -imagekey zlib-level=9 -o "$COMPRESSED"
+rm -f $DISK
diff --git a/build_tools/jenkins_linux_build.sh b/build_tools/jenkins_linux_build.sh
new file mode 100755
index 0000000..65506e3
--- /dev/null
+++ b/build_tools/jenkins_linux_build.sh
@@ -0,0 +1,84 @@
+export PATH=$PATH:/usr/local/bin/
+
+PYTHON=${PYTHON:-`which python`}
+EASY_INSTALL=${EASY_INSTALL:-`which easy_install`}
+PYLINT=${PYLINT:-`which pylint`}
+
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview/utils
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview/sasview-install
+
+
+cd $WORKSPACE
+
+
+# SET SASVIEW GITHASH
+cd $WORKSPACE
+cd sasview/sasview
+githash=$( git rev-parse HEAD )
+sed -i.bak s/GIT_COMMIT/$githash/g __init__.py
+
+
+# SASMODLES
+cd $WORKSPACE
+cd sasmodels
+
+rm -rf build
+rm -rf dist
+
+$PYTHON setup.py clean
+$PYTHON setup.py build
+
+
+# SASMODLES - BUILD DOCS
+cd doc
+make html
+
+cd $WORKSPACE
+cd sasmodels
+$PYTHON setup.py bdist_egg
+$PYTHON -m sasmodels.model_test all
+
+# SASVIEW
+cd $WORKSPACE
+cd sasview
+rm -rf sasview-install
+mkdir sasview-install
+rm -rf utils
+mkdir utils
+rm -rf dist
+rm -rf build
+
+
+# INSTALL SASMODELS
+cd $WORKSPACE
+cd sasmodels
+cd dist
+$EASY_INSTALL -d $WORKSPACE/sasview/utils sasmodels*.egg
+
+
+# BUILD SASVIEW
+cd $WORKSPACE
+cd sasview
+$PYTHON setup.py clean
+$PYTHON setup.py build docs bdist_egg
+
+
+# INSTALL SASVIEW
+cd $WORKSPACE
+cd sasview
+cd dist
+$EASY_INSTALL -d $WORKSPACE/sasview/sasview-install sasview*.egg
+
+
+# TEST
+cd $WORKSPACE
+cd sasview
+cd test
+$PYTHON utest_sasview.py
+
+## PYLINT
+#cd $WORKSPACE
+#cd sasview
+#$PYLINT --rcfile "build_tools/pylint.rc" -f parseable sasview-install/sasview*.egg/sas sasview | tee test/sasview.txt
+
+
diff --git a/build_tools/jenkins_linux_pylint.sh b/build_tools/jenkins_linux_pylint.sh
new file mode 100755
index 0000000..4ec7f53
--- /dev/null
+++ b/build_tools/jenkins_linux_pylint.sh
@@ -0,0 +1,16 @@
+#! /bin/sh
+set -x
+
+# try to find reasonable settings, if not provided in the environment
+PYTHON=${PYTHON:-`which python`}
+PYLINT=${PYLINT:-`which pylint`}
+BUILD_TOOLS_DIR=`dirname $0`
+WORKSPACE=${WORKSPACE:-`readlink -f $BUILD_TOOLS_DIR/..`}
+# WORKSPACE top level of source
+
+export PYTHONPATH=$WORKSPACE/sasview-install:$WORKSPACE/utils:$PYTHONPATH
+
+cd $WORKSPACE
+rm -f test/sasview.txt
+
+$PYLINT --rcfile "$WORKSPACE/build_tools/pylint.rc" -f parseable sasview-install/sasview*.egg/sas sasview > test/sasview.txt || exit 0
diff --git a/build_tools/jenkins_linux_test.sh b/build_tools/jenkins_linux_test.sh
new file mode 100755
index 0000000..b1030b4
--- /dev/null
+++ b/build_tools/jenkins_linux_test.sh
@@ -0,0 +1,14 @@
+#! /bin/sh
+
+# try to find reasonable settings, if not provided in the environment
+PYTHON=${PYTHON:-`which python`}
+PYLINT=${PYLINT:-`which pylint`}
+BUILD_TOOLS_DIR=`dirname $0`
+WORKSPACE=${WORKSPACE:-`readlink -f $BUILD_TOOLS_DIR/..`}
+# WORKSPACE top level of source
+
+cd $WORKSPACE/test
+
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview-install:$WORKSPACE/utils
+
+$PYTHON utest_sasview.py
diff --git a/build_tools/jenkins_osx_build.sh b/build_tools/jenkins_osx_build.sh
new file mode 100755
index 0000000..43e2f82
--- /dev/null
+++ b/build_tools/jenkins_osx_build.sh
@@ -0,0 +1,92 @@
+export PATH=$PATH:/usr/local/bin/
+
+PYTHON=${PYTHON:-`which python`}
+EASY_INSTALL=${EASY_INSTALL:-`which easy_install`}
+PYLINT=${PYLINT:-`which pylint`}
+
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview/utils
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview/sasview-install
+export PYTHONPATH=$PYTHONPATH:/Library/Python/2.7/site-packages
+
+export LC_ALL=en_US.UTF-8
+export LANG=en_US.UTF-8
+
+
+cd $WORKSPACE
+
+# SET SASVIEW GITHASH
+cd $WORKSPACE
+cd sasview/sasview
+githash=$( git rev-parse HEAD )
+sed -i.bak s/GIT_COMMIT/$githash/g __init__.py
+
+
+# SASMODLES
+cd $WORKSPACE
+cd sasmodels
+
+rm -rf build
+rm -rf dist
+
+$PYTHON setup.py clean
+$PYTHON setup.py build
+
+
+# SASMODLES - BUILD DOCS
+cd doc
+make html
+
+#SASMODELS - BUILDING AND TESTING
+cd $WORKSPACE
+cd sasmodels
+$PYTHON setup.py bdist_egg
+$PYTHON -m sasmodels.model_test all
+
+# SASVIEW
+cd $WORKSPACE
+cd sasview
+rm -rf sasview-install
+mkdir sasview-install
+rm -rf utils
+mkdir utils
+rm -rf dist
+rm -rf build
+
+
+# INSTALL SASMODELS
+cd $WORKSPACE
+cd sasmodels
+cd dist
+$EASY_INSTALL -d $WORKSPACE/sasview/utils sasmodels*.egg
+
+
+# BUILD SASVIEW
+cd $WORKSPACE
+cd sasview
+$PYTHON setup.py clean
+$PYTHON setup.py build docs bdist_egg
+
+
+# INSTALL SASVIEW
+cd $WORKSPACE
+cd sasview
+cd dist
+$EASY_INSTALL -d $WORKSPACE/sasview/sasview-install sasview*.egg
+
+
+# TEST
+cd $WORKSPACE
+cd sasview
+cd test
+$PYTHON utest_sasview.py
+
+# PYLINT
+cd $WORKSPACE
+cd sasview
+$PYLINT --rcfile "build_tools/pylint.rc" -f parseable sasview-install/sasview*.egg/sas sasview | tee test/sasview.txt
+
+# BUILD APP
+cd $WORKSPACE
+cd sasview/sasview
+$PYTHON setup_mac.py py2app
+
diff --git a/build_tools/jenkins_rhel6_build.sh b/build_tools/jenkins_rhel6_build.sh
new file mode 100755
index 0000000..4232074
--- /dev/null
+++ b/build_tools/jenkins_rhel6_build.sh
@@ -0,0 +1,73 @@
+#!/bin/sh
+
+# Check envorionment variables set by Jenkins #############################
+if [ -z "$WORKSPACE" ]; then
+ WORKSPACE=`pwd`
+fi
+
+if [ -z "$SVN_REVISION" ]; then
+ SVN_REVISION=''
+fi
+
+export SASVIEW_INSTALL=sasview-install
+
+if [ -z "$EASY_INSTALL" ]; then
+ EASY_INSTALL=`which easy_install`
+fi
+
+
+# Set up build environmentRun tests #######################################
+cd $WORKSPACE
+
+# Check dependencies
+if [ ! -d "utils" ]; then
+ mkdir utils
+fi
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/utils
+"$EASY_INSTALL" -d "$WORKSPACE/utils" unittest-xml-reporting
+"$EASY_INSTALL" -d "$WORKSPACE/utils" lxml
+"$EASY_INSTALL" -d "$WORKSPACE/utils" pyparsing==1.5.5
+"$EASY_INSTALL" -d "$WORKSPACE/utils" bumps==0.7.5.9
+"$EASY_INSTALL" -d "$WORKSPACE/utils" periodictable==1.3.0
+python deps.py
+
+# Set up working directories
+rm -rf $SASVIEW_INSTALL
+mkdir $SASVIEW_INSTALL
+
+rm -rf $WORKSPACE/dist
+mkdir $WORKSPACE/dist
+
+rm -rf build
+
+
+# Build SasView ###########################################################
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/$SASVIEW_INSTALL:$WORKSPACE/utils
+python setup.py bdist_egg
+
+
+# Run tests ###############################################################
+# Install it locally so we can test it
+cd $WORKSPACE/dist
+easy_install -d ../$SASVIEW_INSTALL sasview*.egg
+
+# Run tests
+cd $WORKSPACE/test
+python utest_sasview.py
+
+
+# Build RPM ###############################################################
+cd ${HOME}/rpmbuild/SOURCES
+rm -rf *.egg
+cp $WORKSPACE/dist/*.egg .
+
+rm -rf $WORKSPACE/dist/*.rpm
+
+cd ${WORKSPACE}/build_tools/rpm
+python create_rpm_spec.py ${SVN_REVISION}
+cp sasview.spec ${HOME}/rpmbuild/SPECS
+
+cd ${HOME}/rpmbuild/SPECS
+rpmbuild -bb sasview.spec --clean
+cp ${HOME}/rpmbuild/RPMS/x86_64/* ${WORKSPACE}/dist
+
diff --git a/build_tools/jenkins_win64_build.bat b/build_tools/jenkins_win64_build.bat
new file mode 100644
index 0000000..fb85470
--- /dev/null
+++ b/build_tools/jenkins_win64_build.bat
@@ -0,0 +1,96 @@
+set PYTHON=python.exe
+set EASY_INSTALL=easy_install.exe
+set PYLINT= pylint.exe
+set INNO="C:\util\inno\ISCC.exe"
+set GIT_SED=C:\"Program Files"\Git\bin\sed.exe
+set SAS_COMPILER=tinycc
+
+set PYTHONPATH=%WORKSPACE%\sasview\utils
+set PYTHONPATH=%PYTHONPATH%;%WORKSPACE%\sasview\sasview-install
+
+echo %PYTHONPATH%
+echo %WORKSPACE%
+
+
+:: SET SASVIEW GITHASH ################################################
+cd %WORKSPACE%
+cd sasview\sasview
+git rev-parse HEAD > tmpFile_githash
+SET /p githash= < tmpFile_githash
+DEL tmpFile_githash
+%GIT_SED% -i.bak "s/GIT_COMMIT/%githash%/g" __init__.py
+
+:: MAKE DIR FOR EGGS ##################################################
+cd %WORKSPACE%
+cd sasview
+MD sasview-install
+MD utils
+
+:: TINYCC build ####################################################
+cd %WORKSPACE%
+cd tinycc
+%PYTHON% setup.py build
+xcopy /S build\lib\* %WORKSPACE%\sasview\utils\
+
+
+:: SASMODELS build ####################################################
+cd %WORKSPACE%
+cd sasmodels
+%PYTHON% setup.py build
+
+:: SASMODELS doc ######################################################
+cd doc
+make html
+
+:: SASMODELS build egg ################################################
+cd %WORKSPACE%
+cd sasmodels
+%PYTHON% setup.py bdist_egg
+%PYTHON% -m sasmodels.model_test all
+
+:: SASMODELS install egg ##############################################
+cd %WORKSPACE%
+cd sasmodels
+cd dist
+echo F | xcopy sasmodels-*.egg sasmodels.egg /Y
+%EASY_INSTALL% -d %WORKSPACE%\sasview\utils sasmodels.egg
+
+
+:: NOW BUILD SASVIEW
+
+:: SASVIEW build egg ################################################
+cd %WORKSPACE%
+cd sasview
+%PYTHON% setup.py build docs bdist_egg
+
+
+:: SASVIEW utest ######################################################
+cd %WORKSPACE%\sasview\test
+%PYTHON% utest_sasview.py
+
+
+:: SASVIEW INSTALL EGG ################################################
+cd %WORKSPACE%
+cd sasview
+cd dist
+echo F | xcopy sasview-*.egg sasview.egg /Y
+%EASY_INSTALL% -d %WORKSPACE%\sasview\sasview-install sasview.egg
+
+
+:: SASVIEW INSTALLER ##################################################
+cd %WORKSPACE%
+cd sasview
+cd sasview
+%PYTHON% setup_exe.py py2exe
+%PYTHON% installer_generator.py
+%INNO% installer.iss
+cd Output
+xcopy setupSasView.exe %WORKSPACE%\sasview\dist
+
+:: SASVIEW PYLINT #####################################################
+cd %WORKSPACE%\sasview
+%PYLINT% --rcfile "build_tools/pylint.rc" -f parseable sasview-install/sasview.egg/sas sasview > test/sasview.txt
+
+
+:: GO BACK ############################################################
+cd %WORKSPACE%
diff --git a/build_tools/jenkins_win_build.bat b/build_tools/jenkins_win_build.bat
new file mode 100644
index 0000000..8d12640
--- /dev/null
+++ b/build_tools/jenkins_win_build.bat
@@ -0,0 +1,104 @@
+set PYTHON=c:\python27\python
+set EASY_INSTALL=c:\python27\scripts\easy_install.exe
+set PATH=c:\python27;c:\mingw\bin;%PATH%
+set PYLINT= C:\Python27\Scripts\pylint
+set INNO="C:\Program Files (x86)\Inno Setup 5\ISCC.exe"
+set GIT_SED=C:\"Program Files (x86)"\Git\bin\sed.exe
+set SAS_COMPILER=mingw
+
+
+set PYTHONPATH=%PYTHONPATH%;%WORKSPACE%\sasview\utils
+set PYTHONPATH=%PYTHONPATH%;%WORKSPACE%\sasview\sasview-install
+
+echo %PYTHONPATH%
+echo %WORKSPACE%
+
+
+:: SET SASVIEW GITHASH ################################################
+cd %WORKSPACE%
+cd sasview\sasview
+git rev-parse HEAD > tmpFile_githash
+SET /p githash= < tmpFile_githash
+DEL tmpFile_githash
+%GIT_SED% -i.bak "s/GIT_COMMIT/%githash%/g" __init__.py
+
+
+
+:: MAKE DIR FOR EGGS ##################################################
+cd %WORKSPACE%
+cd sasview
+MD sasview-install
+MD utils
+
+
+:: SASMODELS build ####################################################
+cd %WORKSPACE%
+cd sasmodels
+%PYTHON% setup.py build
+
+
+
+:: SASMODELS doc ######################################################
+cd doc
+make html
+
+
+:: SASMODELS build egg ################################################
+cd %WORKSPACE%
+cd sasmodels
+%PYTHON% setup.py bdist_egg
+%PYTHON% -m sasmodels.model_test all
+
+:: SASMODELS install egg ##############################################
+cd %WORKSPACE%
+cd sasmodels
+cd dist
+echo F | xcopy sasmodels-*.egg sasmodels.egg /Y
+%EASY_INSTALL% -d %WORKSPACE%\sasview\utils sasmodels.egg
+
+
+:: NOW BUILD SASVIEW
+
+:: SASVIEW build egg ################################################
+:: Remember to modify C:\Python27\Lib\distutils\distutils.cfg to you compiler
+cd %WORKSPACE%
+cd sasview
+%PYTHON% setup.py build docs bdist_egg
+
+
+:: SASVIEW utest ######################################################
+cd %WORKSPACE%\sasview\test
+%PYTHON% utest_sasview.py
+
+
+:: SASVIEW INSTALL EGG ################################################
+cd %WORKSPACE%
+cd sasview
+cd dist
+echo F | xcopy sasview-*.egg sasview.egg /Y
+%EASY_INSTALL% -d %WORKSPACE%\sasview\sasview-install sasview.egg
+
+
+:: TINYCC build ####################################################
+cd %WORKSPACE%
+cd tinycc
+%PYTHON% setup.py build
+xcopy /S build\lib\* %WORKSPACE%\sasview\utils\
+
+:: SASVIEW INSTALLER ##################################################
+cd %WORKSPACE%
+cd sasview
+cd sasview
+%PYTHON% setup_exe.py py2exe
+%PYTHON% installer_generator.py
+%INNO% installer.iss
+cd Output
+xcopy setupSasView.exe %WORKSPACE%\sasview\dist
+
+:: SASVIEW PYLINT #####################################################
+cd %WORKSPACE%\sasview
+%PYLINT% --rcfile "build_tools/pylint.rc" -f parseable sasview-install/sasview.egg/sas sasview > test/sasview.txt
+
+
+:: GO BACK ############################################################
+cd %WORKSPACE%
diff --git a/build_tools/pylint.rc b/build_tools/pylint.rc
new file mode 100644
index 0000000..5fef300
--- /dev/null
+++ b/build_tools/pylint.rc
@@ -0,0 +1,373 @@
+[MASTER]
+
+# Specify a configuration file.
+#rcfile=
+
+# Python code to execute, usually for sys.path manipulation such as
+# pygtk.require().
+#init-hook=
+
+# Profiled execution.
+profile=no
+
+# Add files or directories to the blacklist. They should be base names, not
+# paths.
+ignore=CVS
+
+# Pickle collected data for later comparisons.
+persistent=yes
+
+# List of plugins (as comma separated values of python modules names) to load,
+# usually to register additional checkers.
+load-plugins=
+
+# Use multiple processes to speed up Pylint.
+jobs=4
+
+# Allow loading of arbitrary C extensions. Extensions are imported into the
+# active Python interpreter and may run arbitrary code.
+unsafe-load-any-extension=no
+
+# A comma-separated list of package or module names from where C extensions may
+# be loaded. Extensions are loading into the active Python interpreter and may
+# run arbitrary code
+extension-pkg-whitelist=
+
+[MESSAGES CONTROL]
+
+# Only show warnings with the listed confidence levels. Leave empty to show
+# all. Valid levels: HIGH, INFERENCE, INFERENCE_FAILURE, UNDEFINED
+confidence=
+
+# Enable the message, report, category or checker with the given id(s). You can
+# either give multiple identifier separated by comma (,) or put this option
+# multiple time. See also the "--disable" option for examples.
+enable=W0704
+
+# Disable the message, report, category or checker with the given id(s). You
+# can either give multiple identifiers separated by comma (,) or put this
+# option multiple times (only on the command line, not in the configuration
+# file where it should appear only once).You can also use "--disable=all" to
+# disable everything first and then reenable specific checks. For example, if
+# you want to run only the similarities checker, you can use "--disable=all
+# --enable=similarities". If you want to run only the classes checker, but have
+# no Warning level messages displayed, use"--disable=all --enable=classes
+# --disable=W"
+# disable=W0702,E1608,W1627,E1601,E1603,E1602,E1605,E1604,E1607,E1606,W1621,W1620,W1623,W1622,W1625,W1624,W1609,W1626,W1607,W1606,W1605,W1604,W1603,W1602,W1601,I0021,I0020,W1618,W1619,W1630,W1631,W1610,W1611,W1612,W1613,W1614,W1615,W1616,W1617,W1632,W1633,W0704,W1628,W1629,W1608
+
+# Disable the message(s) with the given id(s).
+disable=W0702,W0613,W0703,W0142,R0201,W1201,R0913
+
+[REPORTS]
+
+# Set the output format. Available formats are text, parseable, colorized, msvs
+# (visual studio) and html. You can also give a reporter class, eg
+# mypackage.mymodule.MyReporterClass.
+output-format=text
+
+# Put messages in a separate file for each module / package specified on the
+# command line instead of printing them on stdout. Reports (if any) will be
+# written in a file name "pylint_global.[txt|html]".
+files-output=no
+
+# Tells whether to display a full report or only the messages
+reports=yes
+
+# Python expression which should return a note less than 10 (10 is the highest
+# note). You have access to the variables errors warning, statement which
+# respectively contain the number of errors / warnings messages and the total
+# number of statements analyzed. This is used by the global evaluation report
+# (RP0004).
+evaluation=10.0 - ((float(5 * error + warning + refactor + convention) / statement) * 10)
+
+# Add a comment according to your evaluation note. This is used by the global
+# evaluation report (RP0004).
+comment=no
+
+# Template used to display messages. This is a python new-style format string
+# used to format the message information. See doc for all details
+#msg-template=
+
+[BASIC]
+
+# Required attributes for module, separated by a comma
+required-attributes=
+
+# List of builtins function names that should not be used, separated by a comma
+bad-functions=map,filter,input
+
+# Good variable names which should always be accepted, separated by a comma
+good-names=i,j,k,ex,Run,_,x,y,z,qx,qy,qz,n,q,dx,dy,dz,id,Iq,dIq,Qx,Qy,Qz,ix,iy,iz,nx,ny,nz,getParam,setParam,runXY
+
+# Bad variable names which should always be refused, separated by a comma
+bad-names=foo,bar,baz,toto,tutu,tata
+
+# Colon-delimited sets of names that determine each other's naming style when
+# the name regexes allow several styles.
+name-group=
+
+# Include a hint for the correct naming format with invalid-name
+include-naming-hint=no
+
+# Regular expression matching correct function names
+function-rgx=[a-z_][a-z0-9_]{2,30}$
+
+# Naming hint for function names
+function-name-hint=[a-z_][a-z0-9_]{2,30}$
+
+# Regular expression matching correct variable names
+variable-rgx=[a-z_][a-z0-9_{2D}{1D}]{2,30}$
+
+# Naming hint for variable names
+variable-name-hint=[a-z_][a-z0-9_]{2,30}$
+
+# Regular expression matching correct constant names
+const-rgx=(([A-Z_][A-Z0-9_]*)|(__.*__))$
+
+# Naming hint for constant names
+const-name-hint=(([A-Z_][A-Z0-9_]*)|(__.*__))$
+
+# Regular expression matching correct attribute names
+attr-rgx=[a-z_][a-z0-9__{2D}{1D}]{2,30}$
+
+# Naming hint for attribute names
+attr-name-hint=[a-z_][a-z0-9_]{2,30}$
+
+# Regular expression matching correct argument names
+argument-rgx=[a-z_][a-z0-9_]{2,30}$
+
+# Naming hint for argument names
+argument-name-hint=[a-z_][a-z0-9_]{2,30}$
+
+# Regular expression matching correct class attribute names
+class-attribute-rgx=([A-Za-z_][A-Za-z0-9_]{2,30}|(__.*__))$
+
+# Naming hint for class attribute names
+class-attribute-name-hint=([A-Za-z_][A-Za-z0-9_]{2,30}|(__.*__))$
+
+# Regular expression matching correct inline iteration names
+inlinevar-rgx=[A-Za-z_][A-Za-z0-9_]*$
+
+# Naming hint for inline iteration names
+inlinevar-name-hint=[A-Za-z_][A-Za-z0-9_]*$
+
+# Regular expression matching correct class names
+class-rgx=[A-Z_][a-zA-Z0-9]+$
+
+# Naming hint for class names
+class-name-hint=[A-Z_][a-zA-Z0-9]+$
+
+# Regular expression matching correct module names
+module-rgx=(([a-z_][a-z0-9_]*)|([A-Z][a-zA-Z0-9]+))$
+
+# Naming hint for module names
+module-name-hint=(([a-z_][a-z0-9_]*)|([A-Z][a-zA-Z0-9]+))$
+
+# Regular expression matching correct method names
+method-rgx=[a-z_][a-z0-9_]{2,30}$
+
+# Naming hint for method names
+method-name-hint=[a-z_][a-z0-9_]{2,30}$
+
+# Regular expression which should only match function or class names that do
+# not require a docstring.
+no-docstring-rgx=__.*__
+
+# Minimum line length for functions/classes that require docstrings, shorter
+# ones are exempt.
+docstring-min-length=-1
+
+[FORMAT]
+
+# Maximum number of characters on a single line.
+max-line-length=100
+
+# Regexp for a line that is allowed to be longer than the limit.
+ignore-long-lines=^\s*(# )?<?https?://\S+>?$
+
+# Allow the body of an if to be on the same line as the test if there is no
+# else.
+single-line-if-stmt=no
+
+# List of optional constructs for which whitespace checking is disabled
+no-space-check=trailing-comma,dict-separator
+
+# Maximum number of lines in a module
+max-module-lines=1000
+
+# String used as indentation unit. This is usually " " (4 spaces) or "\t" (1
+# tab).
+indent-string=' '
+
+# Number of spaces of indent required inside a hanging or continued line.
+indent-after-paren=4
+
+# Expected format of line ending, e.g. empty (any line ending), LF or CRLF.
+expected-line-ending-format=
+
+
+[LOGGING]
+
+# Logging modules to check that the string format arguments are in logging
+# function parameter format
+logging-modules=logging
+
+
+[MISCELLANEOUS]
+
+# List of note tags to take in consideration, separated by a comma.
+notes=FIXME,XXX,TODO
+
+
+[SIMILARITIES]
+
+# Minimum lines number of a similarity.
+min-similarity-lines=4
+
+# Ignore comments when computing similarities.
+ignore-comments=yes
+
+# Ignore docstrings when computing similarities.
+ignore-docstrings=yes
+
+# Ignore imports when computing similarities.
+ignore-imports=no
+
+
+[SPELLING]
+
+# Spelling dictionary name. Available dictionaries: none. To make it working
+# install python-enchant package.
+spelling-dict=
+
+# List of comma separated words that should not be checked.
+spelling-ignore-words=
+
+# A path to a file that contains private dictionary; one word per line.
+spelling-private-dict-file=
+
+# Tells whether to store unknown words to indicated private dictionary in
+# --spelling-private-dict-file option instead of raising a message.
+spelling-store-unknown-words=no
+
+
+[TYPECHECK]
+
+# Tells whether missing members accessed in mixin class should be ignored. A
+# mixin class is detected if its name ends with "mixin" (case insensitive).
+ignore-mixin-members=yes
+
+# List of module names for which member attributes should not be checked
+# (useful for modules/projects where namespaces are manipulated during runtime
+# and thus existing member attributes cannot be deduced by static analysis
+ignored-modules=numpy
+
+# List of classes names for which member attributes should not be checked
+# (useful for classes with attributes dynamically set).
+ignored-classes=SQLObject
+
+# When zope mode is activated, add a predefined set of Zope acquired attributes
+# to generated-members.
+zope=no
+
+# List of members which are set dynamically and missed by pylint inference
+# system, and so shouldn't trigger E0201 when accessed. Python regular
+# expressions are accepted.
+generated-members=REQUEST,acl_users,aq_parent
+
+
+[VARIABLES]
+
+# Tells whether we should check for unused import in __init__ files.
+init-import=no
+
+# A regular expression matching the name of dummy variables (i.e. expectedly
+# not used).
+dummy-variables-rgx=_$|dummy
+
+# List of additional names supposed to be defined in builtins. Remember that
+# you should avoid to define new builtins when possible.
+additional-builtins=
+
+# List of strings which can identify a callback function by name. A callback
+# name must start or end with one of those strings.
+callbacks=cb_,_cb
+
+
+[CLASSES]
+
+# List of interface methods to ignore, separated by a comma. This is used for
+# instance to not check methods defines in Zope's Interface base class.
+ignore-iface-methods=isImplementedBy,deferred,extends,names,namesAndDescriptions,queryDescriptionFor,getBases,getDescriptionFor,getDoc,getName,getTaggedValue,getTaggedValueTags,isEqualOrExtendedBy,setTaggedValue,isImplementedByInstancesOf,adaptWith,is_implemented_by
+
+# List of method names used to declare (i.e. assign) instance attributes.
+defining-attr-methods=__init__,__new__,setUp
+
+# List of valid names for the first argument in a class method.
+valid-classmethod-first-arg=cls
+
+# List of valid names for the first argument in a metaclass class method.
+valid-metaclass-classmethod-first-arg=mcs
+
+# List of member names, which should be excluded from the protected access
+# warning.
+exclude-protected=_asdict,_fields,_replace,_source,_make
+
+
+[DESIGN]
+
+# Maximum number of arguments for function / method
+max-args=5
+
+# Argument names that match this expression will be ignored. Default to name
+# with leading underscore
+ignored-argument-names=_.*
+
+# Maximum number of locals for function / method body
+max-locals=15
+
+# Maximum number of return / yield for function / method body
+max-returns=6
+
+# Maximum number of branch for function / method body
+max-branches=12
+
+# Maximum number of statements in function / method body
+max-statements=50
+
+# Maximum number of parents for a class (see R0901).
+max-parents=7
+
+# Maximum number of attributes for a class (see R0902).
+max-attributes=7
+
+# Minimum number of public methods for a class (see R0903).
+min-public-methods=0
+
+# Maximum number of public methods for a class (see R0904).
+max-public-methods=20
+
+
+[IMPORTS]
+
+# Deprecated modules which should not be used, separated by a comma
+deprecated-modules=regsub,TERMIOS,Bastion,rexec
+
+# Create a graph of every (i.e. internal and external) dependencies in the
+# given file (report RP0402 must not be disabled)
+import-graph=
+
+# Create a graph of external dependencies in the given file (report RP0402 must
+# not be disabled)
+ext-import-graph=
+
+# Create a graph of internal dependencies in the given file (report RP0402 must
+# not be disabled)
+int-import-graph=
+
+
+[EXCEPTIONS]
+
+# Exceptions that will emit a warning when being caught. Defaults to
+# "Exception"
+overgeneral-exceptions=Exception
diff --git a/build_tools/requirements.txt b/build_tools/requirements.txt
new file mode 100644
index 0000000..f75744a
--- /dev/null
+++ b/build_tools/requirements.txt
@@ -0,0 +1,19 @@
+# List of dependencies meant for pip.
+# Commented items are generally easier to install separately.
+pylint
+unittest-xml-reporting==1.10.0
+pyparsing==1.5.5
+html5lib==0.95
+reportlab==2.5
+lxml==2.3
+#PIL==1.1.7
+periodictable==1.3.0
+bumps==0.7.5.9
+numpy>=1.7.1
+scipy>=0.18.0
+# wx==2.8.12.1
+# matplotlib==1.1.0
+xhtml2pdf==0.0.6
+sphinx==1.2.1
+h5py==2.5
+pyopencl==2015.1
\ No newline at end of file
diff --git a/build_tools/sasview.spec b/build_tools/sasview.spec
new file mode 100644
index 0000000..a1af074
--- /dev/null
+++ b/build_tools/sasview.spec
@@ -0,0 +1,38 @@
+Summary: sasview
+Name: sasview
+Version: 4.0.0
+Release: 8
+Group: Applications/Engineering
+prefix: /opt/sasview
+BuildRoot: %{_tmppath}/%{name}
+License: Open
+Source: sasview.tgz
+
+%define debug_package %{nil}
+%define site_packages %(python -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")
+
+%description
+SasView analysis application for small-angle scattering
+
+%prep
+%setup -q -n %{name}
+
+%build
+
+%install
+rm -rf %{buildroot}
+mkdir -p %{buildroot}%{site_packages}
+
+export PYTHONPATH=$PYTHONPATH:%{buildroot}%{site_packages}
+easy_install -s %{buildroot}%{_bindir} -d %{buildroot}%{site_packages} sasview*.egg
+easy_install -d %{buildroot}%{site_packages} sasmodels*.egg
+%post
+
+%files
+/usr/lib/python2.7
+/usr/bin/sasview
+/usr/bin/bumps
+
+
+
+
diff --git a/build_tools/sasview_deploy_test.au3 b/build_tools/sasview_deploy_test.au3
new file mode 100755
index 0000000..422de31
--- /dev/null
+++ b/build_tools/sasview_deploy_test.au3
@@ -0,0 +1,179 @@
+; ****** REMEMBER TO SWITCH OFF UAC ON TARGET MACHINE!!! *********
+;
+; This script will install, run and uninstall SasView
+; given location of the installer. The exit code of the script
+; points at failure location:
+;
+; 0 - OK
+; 1 - Installer failure
+; 2 - Problems running SasView (simple fitting)
+; 3 - Uninstaller failure
+
+#include <Constants.au3>
+#include <FileConstants.au3>
+#include <MsgBoxConstants.au3>
+#include <WinAPIFiles.au3>
+
+; Modifiable globals
+Global $fInstallerLocation = @TempDir & "\setupSasView.exe"
+if $CmdLine[0] > 0 Then
+ ; If argument present - use it as local download path
+ $fInstallerLocation = $CmdLine[1]
+EndIf
+
+Global $fUninstallerLocation = "C:\Program Files (x86)\SasView\unins000.exe"
+Global $lTimeout = 10 ; 10 sec timeout for waiting on windows
+Global $lInstallTimeout = 120 ; 2 min timeout for the installation process
+
+; General globals
+Global $installerPID = 0
+
+;; MAIN SCRIPT
+Install()
+RunSasView()
+Uninstall()
+Exit(0)
+
+;==============================================================
+
+Func Install()
+ ;;;;; APPLICATION INSTALLED ;;;;;;;
+ Local $sSetupWindow = "Setup - SasView"
+ Local $iFailFlag = 1
+ ; Run setup
+ if FileExists($fInstallerLocation) Then
+ $installerPID = Run($fInstallerLocation)
+ Assert($installerPID, $iFailFlag)
+ Sleep(1000)
+ Else
+ ;$Error = ObjEvent(AutoIt.Error, "Setup file does not exist","123")
+ Exit($iFailFlag)
+ EndIf
+
+ ; License click through
+ WinActivate($sSetupWindow)
+ Local $test = WinWaitActive($sSetupWindow, "License Agreement", $lTimeout)
+ ;ConsoleWrite("license agreement: " & $test)
+ Assert($test, $iFailFlag)
+ sleep(1000)
+
+ Send("{TAB}{up}{ENTER}")
+
+ ; Location
+ Sleep(1000)
+ $test = WinWaitActive($sSetupWindow, "Select Destination Location", $lTimeout)
+ Assert($test, $iFailFlag)
+ Send("{ENTER}")
+
+ ; Icons, Startup entry
+ Sleep(1000)
+ $test = WinWaitActive($sSetupWindow, "Select Additional Tasks", $lTimeout)
+ Assert($test, $iFailFlag)
+ Send("{ENTER}")
+
+ ; Ready to install...
+ Sleep(1000)
+ $test = WinWaitActive($sSetupWindow, "Ready to Install", $lTimeout)
+ Assert($test, $iFailFlag)
+ Send("{ENTER}")
+
+ ; Final OK on running
+ Sleep(5000)
+ $test = WinWaitActive($sSetupWindow, "Completing the SasView Setup Wizard", $lInstallTimeout)
+ Assert($test, $iFailFlag)
+ Send("{ENTER}")
+ ;ConsoleWrite("Installed" & @CRLF)
+
+EndFunc
+
+
+Func RunSasView()
+ ;;;;; APPLICATION STARTED ;;;;;;;
+ ; Start app - DEBUG ONLY
+ ;;Run("C:\Program Files (x86)\SasView\SasView.exe")
+ local $sActiveWindow = "SasView - Fitting -"
+ Local $iFailFlag = 2
+ ; Wait for the window
+ Sleep(1000)
+ Local $hWnd = WinWaitActive($sActiveWindow, "", $lTimeout)
+ Assert($hWnd, $iFailFlag)
+
+ ;;;;; Load a File
+ ; Open File Load dialog
+ Send("!{f}{ENTER}")
+ WinWaitActive("Choose a file", "", $lTimeout)
+ Assert($hWnd, $iFailFlag)
+ Sleep(200)
+
+ ; Focus is in file chooser - enter filename
+ Send("C:\Program Files (x86)\SasView\test\1d_data\cyl_400_20.txt")
+ Sleep(1000)
+ Send("{ENTER}")
+
+ ;; Send file to fitting
+ ControlClick($hWnd, "Send To", 231)
+
+ ;; Choose a python model
+ ControlCommand($hWnd, "", "ComboBox3", "SetCurrentSelection", 1)
+ ;; Calculate the model
+ ControlClick($hWnd, "Compute", 211)
+ ;; Assure we got the charts
+ Local $hPlot = WinWait($sActiveWindow, "Graph2", $lTimeout)
+ Assert($hPlot, $iFailFlag)
+ $hPlot = WinWait($sActiveWindow, "Graph3", $lTimeout)
+ Assert($hPlot, $iFailFlag)
+
+ sleep(1000)
+ ;; Calculate a compiled model
+ ControlClick($hWnd, "Send To", 231)
+
+ ;; Choose Shapes/Cylinder
+ ControlCommand($hWnd, "", "ComboBox2", "SetCurrentSelection", 1)
+ ControlCommand($hWnd, "", "ComboBox3", "SetCurrentSelection", 11)
+ ;; Calculate the model
+ ControlClick($hWnd, "Compute", 211)
+
+ ;; Assure we got another chart
+ $hPlot = WinWait($sActiveWindow, "Graph4", $lTimeout)
+ Assert($hPlot, $iFailFlag)
+
+ ;; Close SasView
+ WinClose($hWnd)
+
+ Local $hEnd = WinWaitActive("Confirm Exit", "", $lTimeout)
+ Assert($hEnd, $iFailFlag)
+ ControlClick($hEnd, "", "[CLASS:Button; INSTANCE:1]")
+
+ Local $sv_closed = WinWaitClose($hWnd, "", $lTimeout)
+ Assert($sv_closed, $iFailFlag)
+
+EndFunc
+
+Func Uninstall()
+;;;;; UNINSTALL ;;;;;;;
+ Local $iFailFlag = 3
+ $installerPID = Run($fUninstallerLocation)
+ Assert($installerPID, $iFailFlag)
+
+ Local $sSetupWindow = "SasView Uninstall"
+
+ Local $test = WinWaitActive($sSetupWindow, "", $lTimeout)
+ Assert($test, $iFailFlag)
+ Send("{TAB}{ENTER}")
+
+ WinActivate("SasView Uninstal")
+ $test = WinWaitActive($sSetupWindow, "SasView was successfully removed", $lTimeout)
+ Assert($test, $iFailFlag)
+ Send("{ENTER}")
+
+EndFunc
+
+
+;;; HELPER FUNCTIONS ;;;;
+Func Assert($test, $lExitValue)
+ ;;; Asserts $test to be non-zero and exit with code $lExitValue ;;;
+ if $test == 0 Then
+ ProcessClose($installerPID)
+ Exit($lExitValue)
+ EndIf
+EndFunc
diff --git a/build_tools/test_deployment.bat b/build_tools/test_deployment.bat
new file mode 100644
index 0000000..0152be0
--- /dev/null
+++ b/build_tools/test_deployment.bat
@@ -0,0 +1,8 @@
+ at echo off
+cd c:\jenkins
+
+rem sasview.exe is an AutoIt3 generated binary based on sasview_deploy_test.au3
+start /wait c:\jenkins\sasview.exe %1 %2
+
+echo %errorlevel%
+
diff --git a/build_tools/travis_build.sh b/build_tools/travis_build.sh
new file mode 100644
index 0000000..a5d0538
--- /dev/null
+++ b/build_tools/travis_build.sh
@@ -0,0 +1,48 @@
+# Simplified build for Travic CI
+# No documentation is built
+export PATH=$PATH:/usr/local/bin/
+
+PYTHON=${PYTHON:-`which python`}
+EASY_INSTALL=${EASY_INSTALL:-`which easy_install`}
+
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview/utils
+export PYTHONPATH=$PYTHONPATH:$WORKSPACE/sasview/sasview-install
+
+# SET SASVIEW GITHASH
+cd $WORKSPACE/sasview/sasview
+githash=$( git rev-parse HEAD )
+sed -i.bak s/GIT_COMMIT/$githash/g __init__.py
+
+# SASMODELS
+cd $WORKSPACE/sasmodels
+rm -rf build
+rm -rf dist
+$PYTHON setup.py clean
+$PYTHON setup.py build
+$PYTHON setup.py bdist_egg
+
+# SASVIEW
+cd $WORKSPACE/sasview
+rm -rf sasview-install
+mkdir sasview-install
+rm -rf utils
+mkdir utils
+rm -rf dist
+rm -rf build
+
+# INSTALL SASMODELS
+cd $WORKSPACE/sasmodels/dist
+$EASY_INSTALL -d $WORKSPACE/sasview/utils sasmodels*.egg
+
+# BUILD SASVIEW
+cd $WORKSPACE/sasview
+$PYTHON setup.py clean
+$PYTHON setup.py build docs bdist_egg
+
+# INSTALL SASVIEW
+cd $WORKSPACE/sasview/dist
+$EASY_INSTALL -d $WORKSPACE/sasview/sasview-install sasview*.egg
+
+# TEST
+cd $WORKSPACE/sasview/test
+$PYTHON utest_sasview.py
diff --git a/check_packages.py b/check_packages.py
new file mode 100644
index 0000000..a80a658
--- /dev/null
+++ b/check_packages.py
@@ -0,0 +1,104 @@
+"""
+Checking and reinstalling the external packages
+"""
+import os
+import sys
+
+# Fix for error: hash-collision-3-both-1-and-1/
+# See http://jaredforsyth.com/blog/2010/apr/28/accessinit-hash-collision-3-both-1-and-1/
+try:
+ import PIL.Image
+except ImportError:
+ pass
+else:
+ sys.modules['Image'] = PIL.Image
+
+
+common_required_package_list = {
+ 'setuptools':{'version':'0.6c11','import_name':'setuptools','test':'__version__'},
+ 'pyparsing':{'version':'1.5.5','import_name':'pyparsing','test':'__version__'},
+ 'html5lib':{'version':'0.95','import_name':'html5lib','test':'__version__'},
+ 'reportlab':{'version':'2.5','import_name':'reportlab','test':'Version'},
+ 'h5py':{'version':'2.5','import_name':'h5py','test':'__version__'},
+ 'lxml':{'version':'2.3','import_name':'lxml.etree','test':'LXML_VERSION'},
+ 'PIL':{'version':'1.1.7','import_name':'Image','test':'VERSION'},
+ 'pylint':{'version':None,'import_name':'pylint','test':None},
+ 'periodictable':{'version':'1.3.0','import_name':'periodictable','test':'__version__'},
+ 'bumps':{'version':'0.7.5.9','import_name':'bumps','test':'__version__'},
+ 'numpy':{'version':'1.7.1','import_name':'numpy','test':'__version__'},
+ 'scipy':{'version':'0.18.0','import_name':'scipy','test':'__version__'},
+ 'wx':{'version':'2.8.12.1','import_name':'wx','test':'__version__'},
+ 'matplotlib':{'version':'1.1.0','import_name':'matplotlib','test':'__version__'},
+ 'xhtml2pdf':{'version':'3.0.33','import_name':'xhtml2pdf','test':'__version__'},
+ 'sphinx':{'version':'1.2.1','import_name':'sphinx','test':'__version__'},
+ 'unittest-xml-reporting':{'version':'1.10.0','import_name':'xmlrunner','test':'__version__'},
+ 'pyopencl':{'version':'2015.1','import_name':'pyopencl','test':'VERSION_TEXT'},
+}
+win_required_package_list = {
+ 'comtypes':{'version':'0.6.2','import_name':'comtypes','test':'__version__'},
+ 'pywin':{'version':'217','import_name':'pywin','test':'__version__'},
+ 'py2exe':{'version':'0.6.9','import_name':'py2exe','test':'__version__'},
+}
+mac_required_package_list = {
+ 'py2app':{'version':None,'import_name':'py2app','test':'__version__'},
+}
+
+deprecated_package_list = {
+ 'pyPdf':{'version':'1.13','import_name':'pyPdf','test':'__version__'},
+}
+
+print "Checking Required Package Versions...."
+print
+print "Common Packages"
+for package_name,test_vals in common_required_package_list.iteritems():
+ try:
+ i = __import__(test_vals['import_name'],fromlist=[''])
+ if test_vals['test'] == None:
+ print "%s Installed (Unknown version)" % package_name
+ elif package_name == 'lxml':
+ verstring = str(getattr(i,'LXML_VERSION'))
+ print "%s Version Installed: %s"% (package_name,verstring.replace(', ','.').lstrip('(').rstrip(')'))
+ else:
+ print "%s Version Installed: %s"% (package_name,getattr(i,test_vals['test']))
+ except:
+ print '%s NOT INSTALLED'% package_name
+
+if sys.platform == 'win32':
+ print
+ print "Windows Specific Packages:"
+ for package_name,test_vals in win_required_package_list.iteritems():
+ try:
+ if package_name == "pywin":
+ import win32api
+ fixed_file_info = win32api.GetFileVersionInfo(win32api.__file__,'\\')
+ print "%s Version Installed: %s"% (package_name,fixed_file_info['FileVersionLS'] >> 16)
+ else:
+ i = __import__(test_vals['import_name'],fromlist=[''])
+ print "%s Version Installed: %s"% (package_name,getattr(i,test_vals['test']))
+ except:
+ print '%s NOT INSTALLED'% package_name
+
+if sys.platform == 'darwin':
+ print
+ print "MacOS Specific Packages:"
+ for package_name,test_vals in mac_required_package_list.iteritems():
+ try:
+ i = __import__(test_vals['import_name'],fromlist=[''])
+ print "%s Version Installed: %s"% (package_name,getattr(i,test_vals['test']))
+ except:
+ print '%s NOT INSTALLED'% package_name
+
+
+print
+print "Deprecated Packages"
+print "You can remove these unless you need them for other reasons!"
+for package_name,test_vals in deprecated_package_list.iteritems():
+ try:
+ i = __import__(test_vals['import_name'],fromlist=[''])
+ if package_name == 'pyPdf':
+ #pyPdf doesn't have the version number internally
+ print 'pyPDF Installed (Version unknown)'
+ else:
+ print "%s Version Installed: %s"% (package_name,getattr(i,test_vals['test']))
+ except:
+ print '%s NOT INSTALLED'% package_name
diff --git a/docs/sasview/Tutorial.pdf b/docs/sasview/Tutorial.pdf
new file mode 100644
index 0000000..0ef7362
Binary files /dev/null and b/docs/sasview/Tutorial.pdf differ
diff --git a/docs/sasview/Tutorial.pptx b/docs/sasview/Tutorial.pptx
new file mode 100644
index 0000000..f8107c5
Binary files /dev/null and b/docs/sasview/Tutorial.pptx differ
diff --git a/docs/sasview/Tutorial_Old.pdf b/docs/sasview/Tutorial_Old.pdf
new file mode 100644
index 0000000..fae48c5
Binary files /dev/null and b/docs/sasview/Tutorial_Old.pdf differ
diff --git a/docs/sasview/Tutorial_Old.pptx b/docs/sasview/Tutorial_Old.pptx
new file mode 100644
index 0000000..fea542e
Binary files /dev/null and b/docs/sasview/Tutorial_Old.pptx differ
diff --git a/docs/sphinx-docs/Makefile b/docs/sphinx-docs/Makefile
new file mode 100644
index 0000000..8d41d06
--- /dev/null
+++ b/docs/sphinx-docs/Makefile
@@ -0,0 +1,181 @@
+# Makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line.
+SPHINXOPTS =
+SPHINXBUILD = sphinx-build
+PAPER =
+BUILDDIR = build
+
+# User-friendly check for sphinx-build
+ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1)
+$(error The '$(SPHINXBUILD)' command was not found. Make sure you have Sphinx installed, then set the SPHINXBUILD environment variable to point to the full path of the '$(SPHINXBUILD)' executable. Alternatively you can add the directory with the executable to your PATH. If you don't have Sphinx installed, grab it from http://sphinx-doc.org/)
+endif
+
+# Internal variables.
+PAPEROPT_a4 = -D latex_paper_size=a4
+PAPEROPT_letter = -D latex_paper_size=letter
+ALLSPHINXOPTS = -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source
+# the i18n builder cannot share the environment and doctrees with the others
+I18NSPHINXOPTS = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source
+
+.PHONY: help clean html dirhtml singlehtml pickle json htmlhelp qthelp devhelp epub latex latexpdf text man changes linkcheck doctest gettext
+
+help:
+ @echo "Please use \`make <target>' where <target> is one of"
+ @echo " html to make standalone HTML files"
+ @echo " dirhtml to make HTML files named index.html in directories"
+ @echo " singlehtml to make a single large HTML file"
+ @echo " pickle to make pickle files"
+ @echo " json to make JSON files"
+ @echo " htmlhelp to make HTML files and a HTML help project"
+ @echo " qthelp to make HTML files and a qthelp project"
+ @echo " devhelp to make HTML files and a Devhelp project"
+ @echo " epub to make an epub"
+ @echo " latex to make LaTeX files, you can set PAPER=a4 or PAPER=letter"
+ @echo " latexpdf to make LaTeX files and run them through pdflatex"
+ @echo " latexpdfja to make LaTeX files and run them through platex/dvipdfmx"
+ @echo " text to make text files"
+ @echo " man to make manual pages"
+ @echo " texinfo to make Texinfo files"
+ @echo " info to make Texinfo files and run them through makeinfo"
+ @echo " gettext to make PO message catalogs"
+ @echo " changes to make an overview of all changed/added/deprecated items"
+ @echo " xml to make Docutils-native XML files"
+ @echo " pseudoxml to make pseudoxml-XML files for display purposes"
+ @echo " linkcheck to check all external links for integrity"
+ @echo " doctest to run all doctests embedded in the documentation (if enabled)"
+
+clean:
+ rm -rf $(BUILDDIR)/*
+
+stubs:
+ rm -rf source/dev/api
+ sphinx-apidoc -o source/dev/api -d 8 ../../src
+
+html: stubs
+ $(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html
+ @echo
+ @echo "Build finished. The HTML pages are in $(BUILDDIR)/html."
+
+dirhtml:
+ $(SPHINXBUILD) -b dirhtml $(ALLSPHINXOPTS) $(BUILDDIR)/dirhtml
+ @echo
+ @echo "Build finished. The HTML pages are in $(BUILDDIR)/dirhtml."
+
+singlehtml:
+ $(SPHINXBUILD) -b singlehtml $(ALLSPHINXOPTS) $(BUILDDIR)/singlehtml
+ @echo
+ @echo "Build finished. The HTML page is in $(BUILDDIR)/singlehtml."
+
+pickle:
+ $(SPHINXBUILD) -b pickle $(ALLSPHINXOPTS) $(BUILDDIR)/pickle
+ @echo
+ @echo "Build finished; now you can process the pickle files."
+
+json:
+ $(SPHINXBUILD) -b json $(ALLSPHINXOPTS) $(BUILDDIR)/json
+ @echo
+ @echo "Build finished; now you can process the JSON files."
+
+htmlhelp:
+ $(SPHINXBUILD) -b htmlhelp $(ALLSPHINXOPTS) $(BUILDDIR)/htmlhelp
+ @echo
+ @echo "Build finished; now you can run HTML Help Workshop with the" \
+ ".hhp project file in $(BUILDDIR)/htmlhelp."
+
+qthelp:
+ $(SPHINXBUILD) -b qthelp $(ALLSPHINXOPTS) $(BUILDDIR)/qthelp
+ @echo
+ @echo "Build finished; now you can run "qcollectiongenerator" with the" \
+ ".qhcp project file in $(BUILDDIR)/qthelp, like this:"
+ @echo "# qcollectiongenerator $(BUILDDIR)/qthelp/SasView.qhcp"
+ @echo "To view the help file:"
+ @echo "# assistant -collectionFile $(BUILDDIR)/qthelp/SasView.qhc"
+
+devhelp:
+ $(SPHINXBUILD) -b devhelp $(ALLSPHINXOPTS) $(BUILDDIR)/devhelp
+ @echo
+ @echo "Build finished."
+ @echo "To view the help file:"
+ @echo "# mkdir -p $$HOME/.local/share/devhelp/SasView"
+ @echo "# ln -s $(BUILDDIR)/devhelp $$HOME/.local/share/devhelp/SasView"
+ @echo "# devhelp"
+
+epub:
+ $(SPHINXBUILD) -b epub $(ALLSPHINXOPTS) $(BUILDDIR)/epub
+ @echo
+ @echo "Build finished. The epub file is in $(BUILDDIR)/epub."
+
+latex:
+ $(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
+ @echo
+ @echo "Build finished; the LaTeX files are in $(BUILDDIR)/latex."
+ @echo "Run \`make' in that directory to run these through (pdf)latex" \
+ "(use \`make latexpdf' here to do that automatically)."
+
+latexpdf:
+ $(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
+ @echo "Running LaTeX files through pdflatex..."
+ "$(MAKE)" -C $(BUILDDIR)/latex all-pdf
+ @echo "pdflatex finished; the PDF files are in $(BUILDDIR)/latex."
+
+latexpdfja:
+ $(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
+ @echo "Running LaTeX files through platex and dvipdfmx..."
+ "$(MAKE)" -C $(BUILDDIR)/latex all-pdf-ja
+ @echo "pdflatex finished; the PDF files are in $(BUILDDIR)/latex."
+
+text:
+ $(SPHINXBUILD) -b text $(ALLSPHINXOPTS) $(BUILDDIR)/text
+ @echo
+ @echo "Build finished. The text files are in $(BUILDDIR)/text."
+
+man:
+ $(SPHINXBUILD) -b man $(ALLSPHINXOPTS) $(BUILDDIR)/man
+ @echo
+ @echo "Build finished. The manual pages are in $(BUILDDIR)/man."
+
+texinfo:
+ $(SPHINXBUILD) -b texinfo $(ALLSPHINXOPTS) $(BUILDDIR)/texinfo
+ @echo
+ @echo "Build finished. The Texinfo files are in $(BUILDDIR)/texinfo."
+ @echo "Run \`make' in that directory to run these through makeinfo" \
+ "(use \`make info' here to do that automatically)."
+
+info:
+ $(SPHINXBUILD) -b texinfo $(ALLSPHINXOPTS) $(BUILDDIR)/texinfo
+ @echo "Running Texinfo files through makeinfo..."
+ make -C $(BUILDDIR)/texinfo info
+ @echo "makeinfo finished; the Info files are in $(BUILDDIR)/texinfo."
+
+gettext:
+ $(SPHINXBUILD) -b gettext $(I18NSPHINXOPTS) $(BUILDDIR)/locale
+ @echo
+ @echo "Build finished. The message catalogs are in $(BUILDDIR)/locale."
+
+changes:
+ $(SPHINXBUILD) -b changes $(ALLSPHINXOPTS) $(BUILDDIR)/changes
+ @echo
+ @echo "The overview file is in $(BUILDDIR)/changes."
+
+linkcheck:
+ $(SPHINXBUILD) -b linkcheck $(ALLSPHINXOPTS) $(BUILDDIR)/linkcheck
+ @echo
+ @echo "Link check complete; look for any errors in the above output " \
+ "or in $(BUILDDIR)/linkcheck/output.txt."
+
+doctest:
+ $(SPHINXBUILD) -b doctest $(ALLSPHINXOPTS) $(BUILDDIR)/doctest
+ @echo "Testing of doctests in the sources finished, look at the " \
+ "results in $(BUILDDIR)/doctest/output.txt."
+
+xml:
+ $(SPHINXBUILD) -b xml $(ALLSPHINXOPTS) $(BUILDDIR)/xml
+ @echo
+ @echo "Build finished. The XML files are in $(BUILDDIR)/xml."
+
+pseudoxml:
+ $(SPHINXBUILD) -b pseudoxml $(ALLSPHINXOPTS) $(BUILDDIR)/pseudoxml
+ @echo
+ @echo "Build finished. The pseudo-XML files are in $(BUILDDIR)/pseudoxml."
diff --git a/docs/sphinx-docs/build_sphinx.py b/docs/sphinx-docs/build_sphinx.py
new file mode 100755
index 0000000..2b45615
--- /dev/null
+++ b/docs/sphinx-docs/build_sphinx.py
@@ -0,0 +1,386 @@
+#!/usr/bin/env python
+"""
+Functions for building sphinx docs.
+
+For more information on the invocation of sphinx see:
+http://sphinx-doc.org/invocation.html
+"""
+import subprocess
+import os
+import sys
+import fnmatch
+import shutil
+import imp
+from glob import glob
+
+from distutils.dir_util import copy_tree
+from distutils.util import get_platform
+from shutil import copy
+from os import listdir
+
+platform = '.%s-%s'%(get_platform(),sys.version[:3])
+
+CURRENT_SCRIPT_DIR = os.path.dirname(os.path.abspath(__file__))
+
+run = imp.load_source('run', os.path.join(CURRENT_SCRIPT_DIR, '..', '..', 'run.py'))
+run.prepare()
+
+SASVIEW_SRC = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "src")
+SASVIEW_BUILD = os.path.abspath(os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "build", "lib"+platform))
+SASVIEW_DOCS = os.path.join(SASVIEW_BUILD, "doc")
+SASVIEW_TEST = os.path.join(SASVIEW_SRC, "..", "sasview", "test", "media")
+SASVIEW_TOC_SOURCE = os.path.join(CURRENT_SCRIPT_DIR, "source")
+
+# Need to slurp in the new sasmodels model definitions to replace the old model_functions.rst
+# We are currently here:
+#/sasview-local-trunk/docs/sphinx-docs/build_sphinx.py
+SASMODELS_SOURCE_PROLOG = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc")
+SASMODELS_SOURCE_GPU = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "ref", "gpu")
+SASMODELS_SOURCE_SESANS = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "ref", "sesans")
+SASMODELS_SOURCE_SESANSIMG = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "ref", "sesans", "sesans_img")
+SASMODELS_SOURCE_MAGNETISM = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "ref", "magnetism")
+SASMODELS_SOURCE_MAGIMG = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "ref", "magnetism", "mag_img")
+SASMODELS_SOURCE_REF_MODELS = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "ref", "models")
+SASMODELS_SOURCE_MODELS = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "model")
+SASMODELS_SOURCE_IMG = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "model", "img")
+SASMODELS_SOURCE_AUTOIMG = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..", "sasmodels", "doc", "_build", "html","_images")
+## Don't do assemble-in-place
+## Assemble the docs in a temporary folder
+SASMODELS_DEST_PROLOG = os.path.join(CURRENT_SCRIPT_DIR, "source-temp")
+SASMODELS_DEST_REF_MODELS = os.path.join(SASMODELS_DEST_PROLOG, "user")
+SASMODELS_DEST_MODELS = os.path.join(SASMODELS_DEST_PROLOG, "user", "models")
+SASMODELS_DEST_IMG = os.path.join(SASMODELS_DEST_PROLOG, "user", "model-imgs", "new-models")
+SASMODELS_DEST_MAGIMG = os.path.join(SASMODELS_DEST_PROLOG, "user", "mag_img")
+SASMODELS_DEST_SESANSIMG = os.path.join(SASMODELS_DEST_PROLOG, "user", "sesans_img")
+SASMODELS_DEST_BUILDIMG = os.path.join(SASMODELS_DEST_PROLOG, "user", "models", "img")
+
+#if os.path.exists(SASMODELS_SOURCE_PROLOG):
+# print "Found models prolog folder at ", SASMODELS_SOURCE_PROLOG
+#if os.path.exists(SASMODELS_SOURCE_REF_MODELS):
+# print "Found models ref folder at ", SASMODELS_SOURCE_REF_MODELS
+#if os.path.exists(SASMODELS_SOURCE_MODELS):
+# print "Found models folder at ", SASMODELS_SOURCE_MODELS
+#if os.path.exists(SASMODELS_SOURCE_IMG):
+# print "Found img folder at ", SASMODELS_SOURCE_IMG
+#if os.path.exists(SASMODELS_DEST_REF_MODELS):
+# print "Found models ref folder at ", SASMODELS_DEST_REF_MODELS
+#if os.path.exists(SASMODELS_DEST_MODELS):
+# print "Found models folder at ", SASMODELS_DEST_MODELS
+#if os.path.exists(SASMODELS_DEST_IMG):
+# print "Found img folder at ", SASMODELS_DEST_IMG
+#sys.exit()
+
+SPHINX_BUILD = os.path.join(CURRENT_SCRIPT_DIR, "build")
+SPHINX_SOURCE = os.path.join(CURRENT_SCRIPT_DIR, "source-temp")
+SPHINX_SOURCE_API = os.path.join(SPHINX_SOURCE, "dev", "api")
+SPHINX_SOURCE_GUIFRAME = os.path.join(SPHINX_SOURCE, "user", "sasgui", "guiframe")
+SPHINX_SOURCE_MODELS = os.path.join(SPHINX_SOURCE, "user", "models")
+SPHINX_SOURCE_PERSPECTIVES = os.path.join(SPHINX_SOURCE, "user", "sasgui", "perspectives")
+SPHINX_SOURCE_TEST = os.path.join(SPHINX_SOURCE, "test")
+SPHINX_SOURCE_USER = os.path.join(SPHINX_SOURCE, "user")
+
+BUMPS_DOCS = os.path.join(CURRENT_SCRIPT_DIR, "..", "..", "..",
+ "bumps", "doc", "guide")
+BUMPS_TARGET = os.path.join(SPHINX_SOURCE_PERSPECTIVES, "fitting")
+
+def inplace_change(filename, old_string, new_string):
+# Thanks to http://stackoverflow.com/questions/4128144/replace-string-within-file-contents
+ s=open(filename).read()
+ if old_string in s:
+ print 'Changing "{old_string}" to "{new_string}"'.format(**locals())
+ s=s.replace(old_string, new_string)
+ f=open(filename, 'w')
+ f.write(s)
+ f.flush()
+ f.close()
+ else:
+ print 'No occurences of "{old_string}" found.'.format(**locals())
+
+def _remove_dir(dir_path):
+ """Removes the given directory."""
+ if os.path.isdir(dir_path):
+ print "Removing \"%s\"... " % dir_path
+ shutil.rmtree(dir_path)
+
+def clean():
+ """
+ Clean the sphinx build directory.
+ """
+ print "=== Cleaning Sphinx Build ==="
+ _remove_dir(SASVIEW_DOCS)
+ _remove_dir(SPHINX_BUILD)
+ _remove_dir(SPHINX_SOURCE)
+ #_remove_dir(SPHINX_SOURCE_GUIFRAME)
+ #_remove_dir(SPHINX_SOURCE_MODELS)
+ #_remove_dir(SPHINX_SOURCE_PERSPECTIVES)
+ #_remove_dir(SPHINX_SOURCE_TEST)
+
+def setup_source_temp():
+ """
+ Copy the source toctrees to new folder for assembling the sphinx-docs
+ """
+ print "=== Copying Source toctrees ==="
+ if os.path.exists(SASVIEW_TOC_SOURCE):
+ print "Found docs folder at ", SASVIEW_TOC_SOURCE
+ shutil.copytree(SASVIEW_TOC_SOURCE, SPHINX_SOURCE)
+
+def retrieve_user_docs():
+ """
+ Copies across the contents of any media/ directories in src/, and puts them
+ in an appropriately named directory of docs/sphinx-docs/source/. For
+ example:
+
+ sas/../[MODULE]/media/dir/A.rst
+ sas/../[MODULE]/media/B.rst
+
+ gets copied to a new location:
+
+ docs/sphinx-docs/source/user/[MODULE]/dir/A.rst
+ docs/sphinx-docs/source/user/[MODULE]/B.rst
+
+ so that Sphinx may pick it up when generating the documentation.
+ """
+ print "=== Retrieve User Docs ==="
+
+ # Copy documentation files from their "source" to their "destination".
+ for root, dirnames, _ in os.walk(SASVIEW_SRC):
+ for dirname in fnmatch.filter(dirnames, 'media'):
+
+ docs = os.path.abspath(os.path.join(root, dirname))
+ print "Found docs folder at \"%s\"." % docs
+
+ dest_dir_part = os.path.dirname(os.path.relpath(docs, SASVIEW_SRC))
+ if os.sep in dest_dir_part:
+ dest_dir_part = dest_dir_part[dest_dir_part.index(os.sep) + 1:]
+ dest_dir = os.path.join(SPHINX_SOURCE, "user", dest_dir_part)
+
+ copy_tree(docs, dest_dir)
+
+ # Now pickup testdata_help.rst
+# print os.path.abspath(SASVIEW_TEST)
+# print os.path.abspath(SPHINX_SOURCE_TEST)
+ print "=== Including Test Data Docs ==="
+ if os.path.exists(SASVIEW_TEST):
+ print "Found docs folder at ", SASVIEW_TEST
+ shutil.copytree(SASVIEW_TEST, SPHINX_SOURCE_TEST)
+
+ print "=== And the Sasmodels Docs ==="
+ # Make sure we have the relevant images for the new sasmodels documentation
+ # First(!) we'll make a local reference copy for SasView (/new-models will be cleaned each build)
+ if os.path.exists(SASMODELS_SOURCE_IMG):
+ print "Found img folder SASMODELS_SOURCE_IMG at ", SASMODELS_SOURCE_IMG
+ if not os.path.exists(SASMODELS_DEST_IMG):
+ print "Missing docs folder SASMODELS_DEST_IMG at ", SASMODELS_DEST_IMG
+ os.makedirs(SASMODELS_DEST_IMG)
+ print "created SASMODELS_DEST_BUILDIMG at ", SASMODELS_DEST_BUILDIMG
+ else: print "Found img folder SASMODELS_DEST_IMG at ", SASMODELS_DEST_IMG
+ print "Copying sasmodels model image files..."
+ for files in os.listdir(SASMODELS_SOURCE_IMG):
+ fromhere=os.path.join(SASMODELS_SOURCE_IMG,files)
+ tohere=os.path.join(SASMODELS_DEST_IMG,files)
+ shutil.copy(fromhere,tohere)
+ else: print "cannot find SASMODELS_SOURCE_IMG", SASMODELS_SOURCE_IMG
+
+ if os.path.exists(SASMODELS_SOURCE_AUTOIMG):
+ print "Found img folder SASMODELS_SOURCE_AUTOIMG at ", SASMODELS_SOURCE_AUTOIMG
+ if not os.path.exists(SASMODELS_DEST_IMG):
+ print "Missing docs folder SASMODELS_DEST_IMG at ", SASMODELS_DEST_IMG
+ os.makedirs(SASMODELS_DEST_BUILDIMG)
+ print "created SASMODELS_DEST_BUILDIMG at ", SASMODELS_DEST_BUILDIMG
+ print "Copying sasmodels model auto-generated image files..."
+ for files in os.listdir(SASMODELS_SOURCE_AUTOIMG):
+ fromhere=os.path.join(SASMODELS_SOURCE_AUTOIMG,files)
+ tohere=os.path.join(SASMODELS_DEST_IMG,files)
+ shutil.copy(fromhere,tohere)
+ else: print "no source directory",SASMODELS_SOURCE_AUTOIMG ,"was found"
+
+ # And the rst prolog with the unit substitutions
+ if os.path.exists(SASMODELS_SOURCE_PROLOG):
+ print "Found prolog folder SASMODELS_SOURCE_PROLOG at ", SASMODELS_SOURCE_PROLOG
+ if os.path.exists(SASMODELS_DEST_PROLOG):
+ print "Found docs folder SASMODELS_DEST_PROLOG at ", SASMODELS_DEST_PROLOG
+ print "Copying sasmodels rst_prolog file..."
+ for files in os.listdir(SASMODELS_SOURCE_PROLOG):
+ if files.startswith("rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_PROLOG,files)
+ tohere=os.path.join(SASMODELS_DEST_PROLOG,files)
+ shutil.copy(fromhere,tohere)
+
+ if os.path.exists(SASMODELS_SOURCE_GPU):
+ print "Found docs folder SASMODELS_SOURCE_GPU at ", SASMODELS_SOURCE_GPU
+ if os.path.exists(SPHINX_SOURCE_USER):
+ print "Found docs folder SPHINX_SOURCE_USER at ", SPHINX_SOURCE_USER
+ print "Copying sasmodels gpu files..."
+ for files in os.listdir(SASMODELS_SOURCE_GPU):
+ if files.endswith(".rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_GPU,files)
+ tohere=os.path.join(SPHINX_SOURCE_USER,files)
+ shutil.copy(fromhere,tohere)
+
+ if os.path.exists(SASMODELS_SOURCE_SESANS):
+ print "Found docs folder SASMODELS_SOURCE_SESANS at ", SASMODELS_SOURCE_SESANS
+ if os.path.exists(SPHINX_SOURCE_USER):
+ print "Found docs folder SPHINX_SOURCE_USER at ", SPHINX_SOURCE_USER
+ print "Copying sasmodels sesans files..."
+ for files in os.listdir(SASMODELS_SOURCE_SESANS):
+ if files.endswith(".rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_SESANS,files)
+ tohere=os.path.join(SPHINX_SOURCE_USER,files)
+ shutil.copy(fromhere,tohere)
+
+ if os.path.exists(SASMODELS_SOURCE_MAGNETISM):
+ print "Found docs folder SASMODELS_SOURCE_MAGNETISM at ", SASMODELS_SOURCE_MAGNETISM
+ if os.path.exists(SASMODELS_DEST_REF_MODELS):
+ print "Found docs folder SASMODELS_DEST_REF_MODELS at ", SASMODELS_DEST_REF_MODELS
+ print "Copying sasmodels model toctree files..."
+ for files in os.listdir(SASMODELS_SOURCE_MAGNETISM):
+ if files.endswith(".rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_MAGNETISM,files)
+ tohere=os.path.join(SASMODELS_DEST_REF_MODELS,files)
+ shutil.copy(fromhere,tohere)
+
+ if os.path.exists(SASMODELS_SOURCE_MAGIMG):
+ print "Found img folder SASMODELS_SOURCE_MAGIMG at ", SASMODELS_SOURCE_MAGIMG
+ if not os.path.exists(SASMODELS_DEST_MAGIMG):
+ print "Missing img folder SASMODELS_DEST_MAGIMG at ", SASMODELS_DEST_MAGIMG
+ os.makedirs(SASMODELS_DEST_MAGIMG)
+ print "created SASMODELS_DEST_MAGIMG at ", SASMODELS_DEST_MAGIMG
+ print "Copying sasmodels mag image files..."
+ for files in os.listdir(SASMODELS_SOURCE_MAGIMG):
+ fromhere=os.path.join(SASMODELS_SOURCE_MAGIMG,files)
+ tohere=os.path.join(SASMODELS_DEST_MAGIMG,files)
+ shutil.copy(fromhere,tohere)
+ else: print "no source directory",SASMODELS_SOURCE_MAGIMG ,"was found"
+
+ if os.path.exists(SASMODELS_SOURCE_SESANSIMG):
+ print "Found img folder SASMODELS_SOURCE_SESANSIMG at ", SASMODELS_SOURCE_SESANSIMG
+ if not os.path.exists(SASMODELS_DEST_SESANSIMG):
+ print "Missing img folder SASMODELS_DEST_SESANSIMG at ", SASMODELS_DEST_SESANSIMG
+ os.makedirs(SASMODELS_DEST_SESANSIMG)
+ print "created SASMODELS_DEST_SESANSIMG at ", SASMODELS_DEST_SESANSIMG
+ print "Copying sasmodels sesans image files..."
+ for files in os.listdir(SASMODELS_SOURCE_SESANSIMG):
+ fromhere=os.path.join(SASMODELS_SOURCE_SESANSIMG,files)
+ tohere=os.path.join(SASMODELS_DEST_SESANSIMG,files)
+ shutil.copy(fromhere,tohere)
+ else: print "no source directory",SASMODELS_SOURCE_SESANSIMG ,"was found"
+
+ if os.path.exists(SASMODELS_SOURCE_REF_MODELS):
+ print "Found docs folder SASMODELS_SOURCE_REF_MODELS at ", SASMODELS_SOURCE_REF_MODELS
+ if os.path.exists(SASMODELS_DEST_REF_MODELS):
+ print "Found docs folder SASMODELS_DEST_REF_MODELS at ", SASMODELS_DEST_REF_MODELS
+ print "Copying sasmodels model toctree files..."
+ for files in os.listdir(SASMODELS_SOURCE_REF_MODELS):
+ if files.endswith(".rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_REF_MODELS,files)
+ tohere=os.path.join(SASMODELS_DEST_REF_MODELS,files)
+ shutil.copy(fromhere,tohere)
+ # But need to change the path to the model docs in the tocs
+ for files in os.listdir(SASMODELS_DEST_REF_MODELS):
+# print files
+ if files.startswith("shape"):
+ print "Changing toc paths in", files
+ inplace_change(os.path.join(SASMODELS_DEST_REF_MODELS,files), "../../model/", "models/")
+ if files.startswith("sphere"):
+ print "Changing toc paths in", files
+ inplace_change(os.path.join(SASMODELS_DEST_REF_MODELS,files), "../../model/", "models/")
+ if files.startswith("custom"):
+ print "Changing toc paths in", files
+ inplace_change(os.path.join(SASMODELS_DEST_REF_MODELS,files), "../../model/", "models/")
+ if files.startswith("structure"):
+ print "Changing toc paths in", files
+ inplace_change(os.path.join(SASMODELS_DEST_REF_MODELS,files), "../../model/", "models/")
+
+ if os.path.exists(SASMODELS_SOURCE_MODELS):
+ print "Found docs folder SASMODELS_SOURCE_MODELS at ", SASMODELS_SOURCE_MODELS
+ if os.path.exists(SASMODELS_DEST_MODELS):
+ print "Found docs folder SASMODELS_DEST_MODELS at ", SASMODELS_DEST_MODELS
+ print "Copying sasmodels model files..."
+ for files in os.listdir(SASMODELS_SOURCE_MODELS):
+ if files.endswith(".rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_MODELS,files)
+ tohere=os.path.join(SASMODELS_DEST_MODELS,files)
+ shutil.copy(fromhere,tohere)
+ else:
+ print "Missing docs folder SASMODELS_DEST_MODELS at ", SASMODELS_DEST_MODELS
+ os.makedirs(SASMODELS_DEST_MODELS)
+ if not os.path.exists(SASMODELS_DEST_BUILDIMG):
+ os.makedirs(SASMODELS_DEST_BUILDIMG)
+ print "Created docs folder SASMODELS_DEST_MODELS at ", SASMODELS_DEST_MODELS
+ print "Copying model files for build..."
+ for files in os.listdir(SASMODELS_SOURCE_MODELS):
+ if files.endswith(".rst"):
+ fromhere=os.path.join(SASMODELS_SOURCE_MODELS,files)
+ tohere=os.path.join(SASMODELS_DEST_MODELS,files)
+ shutil.copy(fromhere,tohere)
+ # No choice but to do this because model files are all coded for images in /models/img
+ print "Copying image files for build..."
+ for files in os.listdir(SASMODELS_DEST_IMG):
+ fromhere=os.path.join(SASMODELS_DEST_IMG,files)
+ tohere=os.path.join(SASMODELS_DEST_BUILDIMG,files)
+ shutil.copy(fromhere,tohere)
+
+
+def retrieve_bumps_docs():
+ """
+ Copies select files from the bumps documentation into fitting perspective
+ """
+ if os.path.exists(BUMPS_DOCS):
+ print "=== Retrieve BUMPS Docs ==="
+ filenames = [os.path.join(BUMPS_DOCS, "optimizer.rst")]
+ filenames += glob(os.path.join(BUMPS_DOCS, "dream-*.png"))
+ filenames += glob(os.path.join(BUMPS_DOCS, "fit-*.png"))
+ for f in filenames:
+ print "Copying file", f
+ shutil.copy(f, BUMPS_TARGET)
+ else:
+ print """
+*** Error *** missing directory %s
+The documentation will not include the optimizer selection section.
+Checkout the bumps source tree and rebuild the docs.
+
+
+""" % BUMPS_DOCS
+
+def apidoc():
+ """
+ Runs sphinx-apidoc to generate .rst files from the docstrings in .py files
+ in the SasView build directory.
+ """
+ print "=== Generate API Rest Files ==="
+
+ # Clean directory before generating a new version.
+ _remove_dir(SPHINX_SOURCE_API)
+
+ subprocess.call(["sphinx-apidoc",
+ "-o", SPHINX_SOURCE_API, # Output dir.
+ "-d", "8", # Max depth of TOC.
+ SASVIEW_BUILD])
+
+def build():
+ """
+ Runs sphinx-build. Reads in all .rst files and spits out the final html.
+ """
+ print "=== Build HTML Docs from Rest Files ==="
+ subprocess.call(["sphinx-build",
+ "-b", "html", # Builder name. TODO: accept as arg to setup.py.
+ "-d", os.path.join(SPHINX_BUILD, "doctrees"),
+ SPHINX_SOURCE,
+ os.path.join(SPHINX_BUILD, "html")])
+
+ print "=== Copy HTML Docs to Build Directory ==="
+ html = os.path.join(SPHINX_BUILD, "html")
+ copy_tree(html, SASVIEW_DOCS)
+
+def rebuild():
+ clean()
+ setup_source_temp()
+ retrieve_user_docs()
+ retrieve_bumps_docs()
+ apidoc()
+ build()
+
+ print "=== Done ==="
+
+if __name__ == "__main__":
+ rebuild()
diff --git a/docs/sphinx-docs/source/_extensions/dollarmath.py b/docs/sphinx-docs/source/_extensions/dollarmath.py
new file mode 100644
index 0000000..63b410b
--- /dev/null
+++ b/docs/sphinx-docs/source/_extensions/dollarmath.py
@@ -0,0 +1,47 @@
+# This program is public domain
+# Author: Paul Kienzle
+r"""
+Allow $math$ markup in text and docstrings, ignoring \$.
+
+The $math$ markup should be separated from the surrounding text by spaces. To
+embed markup within a word, place backslash-space before and after. For
+convenience, the final $ can be followed by punctuation (period, comma or
+semicolon).
+"""
+
+import re
+_dollar = re.compile(r"(?:^|(?<=\s))[$]([^\n]*?)(?<![\\])[$](?:$|(?=\s|[.,;:?\\()]))")
+_notdollar = re.compile(r"\\[$]")
+
+def replace_dollar(content):
+ content = _dollar.sub(r":math:`\1`",content)
+ content = _notdollar.sub("$", content)
+ return content
+
+def rewrite_rst(app, docname, source):
+ source[0] = replace_dollar(source[0])
+
+def rewrite_autodoc(app, what, name, obj, options, lines):
+ lines[:] = [replace_dollar(L) for L in lines]
+
+def setup(app):
+ app.connect('source-read', rewrite_rst)
+ app.connect('autodoc-process-docstring', rewrite_autodoc)
+
+
+def test_dollar():
+ assert replace_dollar(u"no dollar")==u"no dollar"
+ assert replace_dollar(u"$only$")==u":math:`only`"
+ assert replace_dollar(u"$first$ is good")==u":math:`first` is good"
+ assert replace_dollar(u"so is $last$")==u"so is :math:`last`"
+ assert replace_dollar(u"and $mid$ too")==u"and :math:`mid` too"
+ assert replace_dollar(u"$first$, $mid$, $last$")==u":math:`first`, :math:`mid`, :math:`last`"
+ assert replace_dollar(u"dollar\$ escape")==u"dollar$ escape"
+ assert replace_dollar(u"dollar \$escape\$ too")==u"dollar $escape$ too"
+ assert replace_dollar(u"emb\ $ed$\ ed")==u"emb\ :math:`ed`\ ed"
+ assert replace_dollar(u"$first$a")==u"$first$a"
+ assert replace_dollar(u"a$last$")==u"a$last$"
+ assert replace_dollar(u"a $mid$dle a")==u"a $mid$dle a"
+
+if __name__ == "__main__":
+ test_dollar()
diff --git a/docs/sphinx-docs/source/conf.py b/docs/sphinx-docs/source/conf.py
new file mode 100644
index 0000000..a88a4ee
--- /dev/null
+++ b/docs/sphinx-docs/source/conf.py
@@ -0,0 +1,293 @@
+# -*- coding: utf-8 -*-
+#
+# SasView documentation build configuration file, created by
+# sphinx-quickstart on Wed Aug 28 14:59:44 2013.
+#
+# This file is execfile()d with the current directory set to its containing dir.
+#
+# Note that not all possible configuration values are present in this
+# autogenerated file.
+#
+# All configuration values have a default; values that are commented out
+# serve to show the default.
+
+import sys, os, collections
+
+# If extensions (or modules to document with autodoc) are in another directory,
+# add these directories to sys.path here. If the directory is relative to the
+# documentation root, use os.path.abspath to make it absolute, like shown here.
+from distutils.util import get_platform
+platform = '.%s-%s'%(get_platform(),sys.version[:3])
+build_lib = os.path.abspath('../../../build/lib'+platform)
+sys.path.insert(0, build_lib)
+sys.path.insert(0, os.path.abspath('_extensions')) # for sphinx extensions
+print "-- path --"
+print "\n".join(sys.path)
+
+# -- General configuration -----------------------------------------------------
+
+# If your documentation needs a minimal Sphinx version, state it here.
+#needs_sphinx = '1.0'
+
+# Add any Sphinx extension module names here, as strings. They can be extensions
+# coming with Sphinx (named 'sphinx.ext.*') or your custom ones.
+extensions = ['sphinx.ext.autodoc',
+ 'sphinx.ext.todo',
+ 'sphinx.ext.coverage',
+ 'sphinx.ext.mathjax',
+ 'dollarmath',
+ 'sphinx.ext.viewcode']
+
+#set mathjax path
+mathjax_path="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.1/MathJax.js?config=TeX-MML-AM_CHTML"
+
+# Add any paths that contain templates here, relative to this directory.
+templates_path = ['_templates']
+
+# The suffix of source filenames.
+source_suffix = '.rst'
+
+# The encoding of source files.
+#source_encoding = 'utf-8-sig'
+
+# The master toctree document.
+master_doc = 'index'
+
+# General information about the project.
+project = u'SasView'
+copyright = u'2017, The SasView Project'
+
+# The version info for the project you're documenting, acts as replacement for
+# |version| and |release|, also used in various other places throughout the
+# built documents.
+#
+# The short X.Y version.
+version = '4.1'
+# The full version, including alpha/beta/rc tags.
+release = '4.1.2'
+
+# The language for content autogenerated by Sphinx. Refer to documentation
+# for a list of supported languages.
+#language = None
+
+# There are two options for replacing |today|: either, you set today to some
+# non-false value, then it is used:
+#today = ''
+# Else, today_fmt is used as the format for a strftime call.
+#today_fmt = '%B %d, %Y'
+
+# List of patterns, relative to source directory, that match files and
+# directories to ignore when looking for source files.
+#
+# PGP 2014/04/03: We have some code which doesn't get carried over to
+# the build directory. Exclude the appropriate *.rst files here so
+# that we don't get various "ImportError: No module named ___" when
+# running Sphinx.
+exclude_patterns = ["*sas.sasgui.perspectives.simulation.rst",
+ "*sas.sascalc.pr.c_extensions.rst",
+ "*sas.sascalc.realspace.rst",
+ "*sas.sascalc.simulation.rst",
+ "*sas.sasview.setup_exe.rst",
+ "*sas.sasview.setup_mac.rst",
+ "*sas.sasgui.guiframe.custom_pstats.rst", # pstats not in standard library on Ubuntu out of the box
+ ]
+
+# The reST default role (used for this markup: `text`) to use for all documents.
+#default_role = None
+
+# If true, '()' will be appended to :func: etc. cross-reference text.
+#add_function_parentheses = True
+
+# If true, the current module name will be prepended to all description
+# unit titles (such as .. function::).
+#add_module_names = True
+
+# If true, sectionauthor and moduleauthor directives will be shown in the
+# output. They are ignored by default.
+#show_authors = False
+
+# The name of the Pygments (syntax highlighting) style to use.
+pygments_style = 'sphinx'
+
+# A list of ignored prefixes for module index sorting.
+#modindex_common_prefix = []
+
+# If true, keep warnings as "system message" paragraphs in the built documents.
+#keep_warnings = False
+
+
+# -- Options for HTML output ---------------------------------------------------
+
+# The theme to use for HTML and HTML Help pages. See the documentation for
+# a list of builtin themes.
+html_theme = 'default'
+
+# Theme options are theme-specific and customize the look and feel of a theme
+# further. For a list of options available for each theme, see the
+# documentation.
+#html_theme_options = {}
+
+# Add any paths that contain custom themes here, relative to this directory.
+#html_theme_path = []
+
+# The name for this set of Sphinx documents. If None, it defaults to
+# "<project> v<release> documentation".
+#html_title = None
+
+# A shorter title for the navigation bar. Default is the same as html_title.
+#html_short_title = None
+
+# The name of an image file (relative to this directory) to place at the top
+# of the sidebar.
+#html_logo = None
+
+# The name of an image file (within the static path) to use as favicon of the
+# docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32
+# pixels large.
+#html_favicon = None
+
+# Add any paths that contain custom static files (such as style sheets) here,
+# relative to this directory. They are copied after the builtin static files,
+# so a file named "default.css" will overwrite the builtin "default.css".
+html_static_path = ['_static']
+
+# If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
+# using the given strftime format.
+#html_last_updated_fmt = '%b %d, %Y'
+
+# If true, SmartyPants will be used to convert quotes and dashes to
+# typographically correct entities.
+#html_use_smartypants = True
+
+# Custom sidebar templates, maps document names to template names.
+#html_sidebars = {}
+
+# Additional templates that should be rendered to pages, maps page names to
+# template names.
+#html_additional_pages = {}
+
+# If false, no module index is generated.
+#html_domain_indices = True
+
+# If false, no index is generated.
+#html_use_index = True
+
+# If true, the index is split into individual pages for each letter.
+#html_split_index = False
+
+# If true, links to the reST sources are added to the pages.
+#html_show_sourcelink = True
+
+# If true, "Created using Sphinx" is shown in the HTML footer. Default is True.
+#html_show_sphinx = True
+
+# If true, "(C) Copyright ..." is shown in the HTML footer. Default is True.
+#html_show_copyright = True
+
+# If true, an OpenSearch description file will be output, and all pages will
+# contain a <link> tag referring to it. The value of this option must be the
+# base URL from which the finished HTML is served.
+#html_use_opensearch = ''
+
+# This is the file name suffix for HTML files (e.g. ".xhtml").
+#html_file_suffix = None
+
+# Output file base name for HTML help builder.
+htmlhelp_basename = 'SasViewdoc'
+
+# Turn off permalinks, which are a nice feature for the docs when viewed in a
+# browser, but which look weird (and cannot be "right-click->copy url") in
+# the SasView help.
+html_add_permalinks = ""
+
+
+# -- Options for LaTeX output --------------------------------------------------
+
+LATEX_PREAMBLE=r"""
+\renewcommand{\AA}{\text{\r{A}}} % Allow \AA in math mode
+\usepackage[utf8]{inputenc} % Allow unicode symbols in text
+\DeclareUnicodeCharacter {00B7} {\ensuremath{\cdot}} % cdot
+\DeclareUnicodeCharacter {00B0} {\ensuremath{^\circ}} % degrees
+\DeclareUnicodeCharacter {212B} {\AA} % Angstrom
+"""
+latex_elements = {
+# The paper size ('letterpaper' or 'a4paper').
+'papersize': 'a4paper',
+
+# The font size ('10pt', '11pt' or '12pt').
+#'pointsize': '10pt',
+
+# Additional stuff for the LaTeX preamble.
+'preamble': LATEX_PREAMBLE
+
+}
+
+# Grouping the document tree into LaTeX files. List of tuples
+# (source start file, target name, title, author, documentclass [howto/manual]).
+latex_documents = [
+ ('index', 'SasView.tex', u'SasView Documentation',
+ u'The SasView Project', 'manual'),
+]
+
+# The name of an image file (relative to this directory) to place at the top of
+# the title page.
+#latex_logo = None
+
+# For "manual" documents, if this is true, then toplevel headings are parts,
+# not chapters.
+#latex_use_parts = False
+
+# If true, show page references after internal links.
+#latex_show_pagerefs = False
+
+# If true, show URL addresses after external links.
+#latex_show_urls = False
+
+# Documents to append as an appendix to all manuals.
+#latex_appendices = []
+
+# If false, no module index is generated.
+#latex_domain_indices = True
+
+
+# -- Options for manual page output --------------------------------------------
+
+# One entry per manual page. List of tuples
+# (source start file, name, description, authors, manual section).
+man_pages = [
+ ('index', 'sasview', u'SasView Documentation',
+ [u'The SasView Project'], 1)
+]
+
+# If true, show URL addresses after external links.
+#man_show_urls = False
+
+
+# -- Options for Texinfo output ------------------------------------------------
+
+# Grouping the document tree into Texinfo files. List of tuples
+# (source start file, target name, title, author,
+# dir menu entry, description, category)
+texinfo_documents = [
+ ('index', 'SasView', u'SasView Documentation',
+ u'The SasView Project', 'SasView', 'One line description of project.',
+ 'Miscellaneous'),
+]
+
+# Documents to append as an appendix to all manuals.
+#texinfo_appendices = []
+
+# If false, no module index is generated.
+#texinfo_domain_indices = True
+
+# How to display URL addresses: 'footnote', 'no', or 'inline'.
+#texinfo_show_urls = 'footnote'
+
+# If true, do not generate a @detailmenu in the "Top" node's menu.
+#texinfo_no_detailmenu = False
+
+if os.path.exists('rst_prolog'):
+ with open('rst_prolog') as fid:
+ rst_prolog = fid.read()
+
+numfig = True
diff --git a/docs/sphinx-docs/source/dev/dev.rst b/docs/sphinx-docs/source/dev/dev.rst
new file mode 100644
index 0000000..dea7c32
--- /dev/null
+++ b/docs/sphinx-docs/source/dev/dev.rst
@@ -0,0 +1,19 @@
+Developer Documentation
+=======================
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+Contents
+--------
+
+.. toctree::
+ :maxdepth: 1
+
+ SasView API <api/modules>
+
+Indices and Search
+------------------
+
+* :ref:`genindex`
+* :ref:`modindex`
+* :ref:`search`
diff --git a/docs/sphinx-docs/source/index.rst b/docs/sphinx-docs/source/index.rst
new file mode 100644
index 0000000..2b244e3
--- /dev/null
+++ b/docs/sphinx-docs/source/index.rst
@@ -0,0 +1,14 @@
+.. SasView documentation master file, created by
+ sphinx-quickstart on Wed Aug 28 14:59:44 2013.
+ You can adapt this file completely to your liking, but it should at least
+ contain the root `toctree` directive.
+
+SasView Documentation Index
+===========================
+
+.. toctree::
+ :maxdepth: 1
+
+ User Documentation <user/user>
+
+ Developer Documentation <dev/dev>
\ No newline at end of file
diff --git a/docs/sphinx-docs/source/rst_prolog b/docs/sphinx-docs/source/rst_prolog
new file mode 100644
index 0000000..098e6b0
--- /dev/null
+++ b/docs/sphinx-docs/source/rst_prolog
@@ -0,0 +1,73 @@
+.. Set up some substitutions to make life easier...
+.. Remove |biggamma|, etc. when they are no longer needed.
+
+
+.. |alpha| unicode:: U+03B1
+.. |beta| unicode:: U+03B2
+.. |gamma| unicode:: U+03B3
+.. |delta| unicode:: U+03B4
+.. |epsilon| unicode:: U+03B5
+.. |zeta| unicode:: U+03B6
+.. |eta| unicode:: U+03B7
+.. |theta| unicode:: U+03B8
+.. |iota| unicode:: U+03B9
+.. |kappa| unicode:: U+03BA
+.. |lambda| unicode:: U+03BB
+.. |mu| unicode:: U+03BC
+.. |nu| unicode:: U+03BD
+.. |xi| unicode:: U+03BE
+.. |omicron| unicode:: U+03BF
+.. |pi| unicode:: U+03C0
+.. |rho| unicode:: U+03C1
+.. |sigma| unicode:: U+03C3
+.. |tau| unicode:: U+03C4
+.. |upsilon| unicode:: U+03C5
+.. |phi| unicode:: U+03C6
+.. |chi| unicode:: U+03C7
+.. |psi| unicode:: U+03C8
+.. |omega| unicode:: U+03C9
+
+
+.. |biggamma| unicode:: U+0393
+.. |bigdelta| unicode:: U+0394
+.. |bigzeta| unicode:: U+039E
+.. |bigpsi| unicode:: U+03A8
+.. |bigphi| unicode:: U+03A6
+.. |bigsigma| unicode:: U+03A3
+.. |Gamma| unicode:: U+0393
+.. |Delta| unicode:: U+0394
+.. |Zeta| unicode:: U+039E
+.. |Psi| unicode:: U+03A8
+
+
+.. |drho| replace:: |Delta|\ |rho|
+.. |Ang| unicode:: U+212B
+.. |Ang^-1| replace:: |Ang|\ :sup:`-1`
+.. |Ang^2| replace:: |Ang|\ :sup:`2`
+.. |Ang^-2| replace:: |Ang|\ :sup:`-2`
+.. |1e-6Ang^-2| replace:: 10\ :sup:`-6`\ |Ang|\ :sup:`-2`
+.. |Ang^3| replace:: |Ang|\ :sup:`3`
+.. |Ang^-3| replace:: |Ang|\ :sup:`-3`
+.. |Ang^-4| replace:: |Ang|\ :sup:`-4`
+.. |cm^-1| replace:: cm\ :sup:`-1`
+.. |cm^2| replace:: cm\ :sup:`2`
+.. |cm^-2| replace:: cm\ :sup:`-2`
+.. |cm^3| replace:: cm\ :sup:`3`
+.. |1e15cm^3| replace:: 10\ :sup:`15`\ cm\ :sup:`3`
+.. |cm^-3| replace:: cm\ :sup:`-3`
+.. |sr^-1| replace:: sr\ :sup:`-1`
+.. |P0| replace:: P\ :sub:`0`\
+.. |A2| replace:: A\ :sub:`2`\
+
+
+.. |equiv| unicode:: U+2261
+.. |noteql| unicode:: U+2260
+.. |TM| unicode:: U+2122
+
+
+.. |cdot| unicode:: U+00B7
+.. |deg| unicode:: U+00B0
+.. |g/cm^3| replace:: g\ |cdot|\ cm\ :sup:`-3`
+.. |mg/m^2| replace:: mg\ |cdot|\ m\ :sup:`-2`
+.. |fm^2| replace:: fm\ :sup:`2`
+.. |Ang*cm^-1| replace:: |Ang|\ |cdot|\ cm\ :sup:`-1`
diff --git a/docs/sphinx-docs/source/user/README-ABOUT-TOCTREE-FILES.TXT b/docs/sphinx-docs/source/user/README-ABOUT-TOCTREE-FILES.TXT
new file mode 100644
index 0000000..d971600
--- /dev/null
+++ b/docs/sphinx-docs/source/user/README-ABOUT-TOCTREE-FILES.TXT
@@ -0,0 +1,12 @@
+
+Several of the .rst files here in /sasview/docs/sphinx-docs/source/user are Sphinx toctree files.
+
+DO NOT delete them!
+
+analysis.rst
+tools.rst
+user.rst
+working.rst
+
+They are based on, but are different - because the SasView and Sasmodels directory trees
+are different - to files with the same name in /sasmodels/doc/ref/models.
diff --git a/docs/sphinx-docs/source/user/analysis.rst b/docs/sphinx-docs/source/user/analysis.rst
new file mode 100644
index 0000000..ce368cb
--- /dev/null
+++ b/docs/sphinx-docs/source/user/analysis.rst
@@ -0,0 +1,17 @@
+.. _analysis:
+
+Fitting & Other Analyses
+========================
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+.. toctree::
+ :maxdepth: 1
+
+ Model Fitting <sasgui/perspectives/fitting/fitting>
+
+ P(r) Inversion <sasgui/perspectives/pr/pr_help>
+
+ Invariant Calculation <sasgui/perspectives/invariant/invariant_help>
+
+ Correlation Function <sasgui/perspectives/corfunc/corfunc_help>
diff --git a/docs/sphinx-docs/source/user/marketplace.rst b/docs/sphinx-docs/source/user/marketplace.rst
new file mode 100644
index 0000000..6f7a5ba
--- /dev/null
+++ b/docs/sphinx-docs/source/user/marketplace.rst
@@ -0,0 +1,15 @@
+.. _marketplace:
+
+Model Marketplace
+=================
+The Model Marketplace allows members of the SAS Community to contribute plug-in fitting models for *SasView* for all to use.
+
+.. note:: These plug-in models require SasView version 4.0 or later.
+
+Contributed models should be written in Python (only version 2.7.x is currently supported) or, if computational speed is an issue, in a combination of Python and C. You only need to upload the .py/.c source code files to the Marketplace!
+
+For guidance on how to write a plugin model see :ref:`Writing_a_Plugin` . It may also be helpful to examine the library models in the */sasmodels-data/models* sub-folder of your SasView installation directory.
+
+The Marketplace also provides the option to upload a SasView text file of the scattering function data computed by your model. If you do this a graph of the scattering function will appear under the Marketplace entry for your model.
+
+.. note:: The SasView Development Team regret to say that they do not have the resources to fix the bugs or polish the code in every model contributed to the Marketplace!
\ No newline at end of file
diff --git a/docs/sphinx-docs/source/user/menu_bar.rst b/docs/sphinx-docs/source/user/menu_bar.rst
new file mode 100644
index 0000000..f9ceda3
--- /dev/null
+++ b/docs/sphinx-docs/source/user/menu_bar.rst
@@ -0,0 +1,85 @@
+.. _menu_bar:
+
+Menu Bar
+========
+The menu bar at the top of the *SasView* window gives you access to additional features of the program:
+
+File
+----
+The File option allows you load data into *SasView* for analysis, or to save the work you have been doing.
+
+Data can be loaded one file at a time, or by selecting multiple files, or by loading an entire folder of
+files (in which case *SasView* will attempt to make an intelligent guess as to what to load based on the
+file formats it recognises in the folder!).
+
+A *SasView* session can also be saved and reloaded as an 'Analysis' (an individual model fit or invariant
+calculation, etc), or as a 'Project' (everything you have done since starting your *SasView* session).
+
+Edit
+----
+The Edit option allows you to:
+
+- undo/redo your recent changes;
+- copy and paste parameters between *SasView* analysis windows;
+- copy parameters from a *SasView* analysis window to the Clipboard as either tab-delimited text (compatible with Microsoft Excel) or LaTex-wrapped text;
+- generate a summary 'Report' of the most recent analysis performed;
+- reset parameter values in the P(r) Inversion analysis page.
+
+View
+----
+The View option allows you to:
+
+- show the Batch Fitting Results Panel if it has been closed;
+- show/hide the Data Explorer Panel;
+- show/hide the Toolbar of icons below the Menu Bar;
+- select the default location that *SasView* looks in for data to analyse (the *SasView* installation directory, the initial default, or a custom folder). NB: any change only takes effect when *SasView* is restarted;
+- change the default assignment of categories (*Shapes*\, *Shape-independent*\, *Structure Factor*\) for fitting model functions.
+
+Tools
+-----
+The Tools option provides access to a comprehensive range of tools and utilities. See :ref:`tools` for more information.
+
+Window
+------
+The Window option allows you to select which *SasView* windows are visible.
+
+Analysis
+--------
+The Analysis option provides access to the key functionality of *SasView*:
+
+- Model Fitting;
+- P(r) Inversion;
+- Invariant Analysis;
+- Correlation Function Analysis (*SasView* 4.1 and later)
+
+See :ref:`analysis` for more information.
+
+Fitting
+-------
+The Fitting option allows you to:
+
+- create a new FitPage;
+- change optimiser (under Fit Options);
+- view fit parameter correlations, distributions, and convergence traces (under Fit Results);
+- create/edit a Plugin Model.
+
+Additional functionality is available under this menu option during particular types of model fitting, including:
+
+- setting up a Constrained or Simultaneous Fit;
+- combining a Batch Fit (an obscure capability);
+- setting up Chain Fitting.
+
+Help
+----
+The Help option provides access to:
+
+- this help documentation;
+- a :ref:`tutorial` on using *SasView* (in pdf format);
+- information on how to acknowledge *SasView* in publications;
+- information about the version of *SasView* you are using;
+- the :ref:`marketplace`\ ;
+- a check to see if there is a more recent version of *SasView*.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 10Oct2016
diff --git a/docs/sphinx-docs/source/user/tools.rst b/docs/sphinx-docs/source/user/tools.rst
new file mode 100644
index 0000000..5424a3d
--- /dev/null
+++ b/docs/sphinx-docs/source/user/tools.rst
@@ -0,0 +1,30 @@
+.. _tools:
+
+Tools & Utilities
+=================
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+.. toctree::
+ :maxdepth: 1
+
+ Data Operations Utility <sasgui/perspectives/calculator/data_operator_help>
+
+ SLD Calculator <sasgui/perspectives/calculator/sld_calculator_help>
+
+ Density/Volume Calculator <sasgui/perspectives/calculator/density_calculator_help>
+
+ Slit Size Calculator <sasgui/perspectives/calculator/slit_calculator_help>
+
+ Kiessig Thickness Calculator <sasgui/perspectives/calculator/kiessig_calculator_help>
+
+ Q Resolution Estimator <sasgui/perspectives/calculator/resolution_calculator_help>
+
+ Generic SANS Calculator <sasgui/perspectives/calculator/sas_calculator_help>
+
+ Python Shell <sasgui/perspectives/calculator/python_shell_help>
+
+ Image Viewer <sasgui/perspectives/calculator/image_viewer_help>
+
+ File Converter <sasgui/perspectives/file_converter/file_converter_help>
+
\ No newline at end of file
diff --git a/docs/sphinx-docs/source/user/tutorial.rst b/docs/sphinx-docs/source/user/tutorial.rst
new file mode 100644
index 0000000..fafa3a6
--- /dev/null
+++ b/docs/sphinx-docs/source/user/tutorial.rst
@@ -0,0 +1,12 @@
+.. tutorial.rst
+
+.. _tutorial:
+
+Tutorials
+=========
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+:download:`Getting Started with Sasview <../../../../sasview/media/getting_started_with_sasview.pdf>`
+
+:download:`Old Tutorial <../../../../sasview/media/Tutorial.pdf>`
diff --git a/docs/sphinx-docs/source/user/user.rst b/docs/sphinx-docs/source/user/user.rst
new file mode 100644
index 0000000..eab9e5c
--- /dev/null
+++ b/docs/sphinx-docs/source/user/user.rst
@@ -0,0 +1,17 @@
+SasView User Documentation
+==========================
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+.. toctree::
+ :maxdepth: 1
+
+ Model Documentation <index>
+
+ Menu Bar <menu_bar>
+
+ Fitting & Other Analyses <analysis>
+
+ Tools & Utilities <tools>
+
+ Working with SasView <working>
diff --git a/docs/sphinx-docs/source/user/working.rst b/docs/sphinx-docs/source/user/working.rst
new file mode 100644
index 0000000..aa06224
--- /dev/null
+++ b/docs/sphinx-docs/source/user/working.rst
@@ -0,0 +1,22 @@
+Working with SasView
+====================
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+.. toctree::
+ :maxdepth: 1
+
+ Data Formats <sasgui/guiframe/data_formats_help>
+
+ Loading Data <sasgui/guiframe/data_explorer_help>
+
+ Plotting Data/Models <sasgui/guiframe/graph_help>
+
+ Test Data <../test/testdata_help.rst>
+
+ Tutorials <tutorial.rst>
+
+ Writing a Plugin Model <sasgui/perspectives/fitting/plugin.rst>
+
+ Computations with a GPU <gpu_computations>
+
\ No newline at end of file
diff --git a/ez_setup.py b/ez_setup.py
new file mode 100644
index 0000000..f5fa741
--- /dev/null
+++ b/ez_setup.py
@@ -0,0 +1,332 @@
+#!/usr/bin/env python
+"""Bootstrap setuptools installation
+
+To use setuptools in your package's setup.py, include this
+file in the same directory and add this to the top of your setup.py::
+
+ from ez_setup import use_setuptools
+ use_setuptools()
+
+To require a specific version of setuptools, set a download
+mirror, or use an alternate download directory, simply supply
+the appropriate options to ``use_setuptools()``.
+
+This file can also be run as a script to install or upgrade setuptools.
+"""
+import os
+import shutil
+import sys
+import tempfile
+import zipfile
+import optparse
+import subprocess
+import platform
+import textwrap
+import contextlib
+
+from distutils import log
+
+try:
+ from site import USER_SITE
+except ImportError:
+ USER_SITE = None
+
+DEFAULT_VERSION = "3.4.1"
+DEFAULT_URL = "https://pypi.python.org/packages/source/s/setuptools/"
+
+def _python_cmd(*args):
+ """
+ Return True if the command succeeded.
+ """
+ args = (sys.executable,) + args
+ return subprocess.call(args) == 0
+
+
+def _install(archive_filename, install_args=()):
+ with archive_context(archive_filename):
+ # installing
+ log.warn('Installing Setuptools')
+ if not _python_cmd('setup.py', 'install', *install_args):
+ log.warn('Something went wrong during the installation.')
+ log.warn('See the error message above.')
+ # exitcode will be 2
+ return 2
+
+
+def _build_egg(egg, archive_filename, to_dir):
+ with archive_context(archive_filename):
+ # building an egg
+ log.warn('Building a Setuptools egg in %s', to_dir)
+ _python_cmd('setup.py', '-q', 'bdist_egg', '--dist-dir', to_dir)
+ # returning the result
+ log.warn(egg)
+ if not os.path.exists(egg):
+ raise IOError('Could not build the egg.')
+
+
+def get_zip_class():
+ """
+ Supplement ZipFile class to support context manager for Python 2.6
+ """
+ class ContextualZipFile(zipfile.ZipFile):
+ def __enter__(self):
+ return self
+ def __exit__(self, type, value, traceback):
+ self.close
+ return zipfile.ZipFile if hasattr(zipfile.ZipFile, '__exit__') else \
+ ContextualZipFile
+
+
+ at contextlib.contextmanager
+def archive_context(filename):
+ # extracting the archive
+ tmpdir = tempfile.mkdtemp()
+ log.warn('Extracting in %s', tmpdir)
+ old_wd = os.getcwd()
+ try:
+ os.chdir(tmpdir)
+ with get_zip_class()(filename) as archive:
+ archive.extractall()
+
+ # going in the directory
+ subdir = os.path.join(tmpdir, os.listdir(tmpdir)[0])
+ os.chdir(subdir)
+ log.warn('Now working in %s', subdir)
+ yield
+
+ finally:
+ os.chdir(old_wd)
+ shutil.rmtree(tmpdir)
+
+
+def _do_download(version, download_base, to_dir, download_delay):
+ egg = os.path.join(to_dir, 'setuptools-%s-py%d.%d.egg'
+ % (version, sys.version_info[0], sys.version_info[1]))
+ if not os.path.exists(egg):
+ archive = download_setuptools(version, download_base,
+ to_dir, download_delay)
+ _build_egg(egg, archive, to_dir)
+ sys.path.insert(0, egg)
+
+ # Remove previously-imported pkg_resources if present (see
+ # https://bitbucket.org/pypa/setuptools/pull-request/7/ for details).
+ if 'pkg_resources' in sys.modules:
+ del sys.modules['pkg_resources']
+
+ import setuptools
+ setuptools.bootstrap_install_from = egg
+
+
+def use_setuptools(version=DEFAULT_VERSION, download_base=DEFAULT_URL,
+ to_dir=os.curdir, download_delay=15):
+ to_dir = os.path.abspath(to_dir)
+ rep_modules = 'pkg_resources', 'setuptools'
+ imported = set(sys.modules).intersection(rep_modules)
+ try:
+ import pkg_resources
+ except ImportError:
+ return _do_download(version, download_base, to_dir, download_delay)
+ try:
+ pkg_resources.require("setuptools>=" + version)
+ return
+ except pkg_resources.DistributionNotFound:
+ return _do_download(version, download_base, to_dir, download_delay)
+ except pkg_resources.VersionConflict as VC_err:
+ if imported:
+ msg = textwrap.dedent("""
+ The required version of setuptools (>={version}) is not available,
+ and can't be installed while this script is running. Please
+ install a more recent version first, using
+ 'easy_install -U setuptools'.
+
+ (Currently using {VC_err.args[0]!r})
+ """).format(VC_err=VC_err, version=version)
+ sys.stderr.write(msg)
+ sys.exit(2)
+
+ # otherwise, reload ok
+ del pkg_resources, sys.modules['pkg_resources']
+ return _do_download(version, download_base, to_dir, download_delay)
+
+def _clean_check(cmd, target):
+ """
+ Run the command to download target. If the command fails, clean up before
+ re-raising the error.
+ """
+ try:
+ subprocess.check_call(cmd)
+ except subprocess.CalledProcessError:
+ if os.access(target, os.F_OK):
+ os.unlink(target)
+ raise
+
+def download_file_powershell(url, target):
+ """
+ Download the file at url to target using Powershell (which will validate
+ trust). Raise an exception if the command cannot complete.
+ """
+ target = os.path.abspath(target)
+ cmd = [
+ 'powershell',
+ '-Command',
+ "(new-object System.Net.WebClient).DownloadFile(%(url)r, %(target)r)" % vars(),
+ ]
+ _clean_check(cmd, target)
+
+def has_powershell():
+ if platform.system() != 'Windows':
+ return False
+ cmd = ['powershell', '-Command', 'echo test']
+ devnull = open(os.path.devnull, 'wb')
+ try:
+ try:
+ subprocess.check_call(cmd, stdout=devnull, stderr=devnull)
+ except Exception:
+ return False
+ finally:
+ devnull.close()
+ return True
+
+download_file_powershell.viable = has_powershell
+
+def download_file_curl(url, target):
+ cmd = ['curl', url, '--silent', '--output', target]
+ _clean_check(cmd, target)
+
+def has_curl():
+ cmd = ['curl', '--version']
+ devnull = open(os.path.devnull, 'wb')
+ try:
+ try:
+ subprocess.check_call(cmd, stdout=devnull, stderr=devnull)
+ except Exception:
+ return False
+ finally:
+ devnull.close()
+ return True
+
+download_file_curl.viable = has_curl
+
+def download_file_wget(url, target):
+ cmd = ['wget', url, '--quiet', '--output-document', target]
+ _clean_check(cmd, target)
+
+def has_wget():
+ cmd = ['wget', '--version']
+ devnull = open(os.path.devnull, 'wb')
+ try:
+ try:
+ subprocess.check_call(cmd, stdout=devnull, stderr=devnull)
+ except Exception:
+ return False
+ finally:
+ devnull.close()
+ return True
+
+download_file_wget.viable = has_wget
+
+def download_file_insecure(url, target):
+ """
+ Use Python to download the file, even though it cannot authenticate the
+ connection.
+ """
+ try:
+ from urllib.request import urlopen
+ except ImportError:
+ from urllib2 import urlopen
+ src = dst = None
+ try:
+ src = urlopen(url)
+ # Read/write all in one block, so we don't create a corrupt file
+ # if the download is interrupted.
+ data = src.read()
+ dst = open(target, "wb")
+ dst.write(data)
+ finally:
+ if src:
+ src.close()
+ if dst:
+ dst.close()
+
+download_file_insecure.viable = lambda: True
+
+def get_best_downloader():
+ downloaders = [
+ download_file_powershell,
+ download_file_curl,
+ download_file_wget,
+ download_file_insecure,
+ ]
+
+ for dl in downloaders:
+ if dl.viable():
+ return dl
+
+def download_setuptools(version=DEFAULT_VERSION, download_base=DEFAULT_URL,
+ to_dir=os.curdir, delay=15, downloader_factory=get_best_downloader):
+ """
+ Download setuptools from a specified location and return its filename
+
+ `version` should be a valid setuptools version number that is available
+ as an egg for download under the `download_base` URL (which should end
+ with a '/'). `to_dir` is the directory where the egg will be downloaded.
+ `delay` is the number of seconds to pause before an actual download
+ attempt.
+
+ ``downloader_factory`` should be a function taking no arguments and
+ returning a function for downloading a URL to a target.
+ """
+ # making sure we use the absolute path
+ to_dir = os.path.abspath(to_dir)
+ zip_name = "setuptools-%s.zip" % version
+ url = download_base + zip_name
+ saveto = os.path.join(to_dir, zip_name)
+ if not os.path.exists(saveto): # Avoid repeated downloads
+ log.warn("Downloading %s", url)
+ downloader = downloader_factory()
+ downloader(url, saveto)
+ return os.path.realpath(saveto)
+
+def _build_install_args(options):
+ """
+ Build the arguments to 'python setup.py install' on the setuptools package
+ """
+ return ['--user'] if options.user_install else []
+
+def _parse_args():
+ """
+ Parse the command line for options
+ """
+ parser = optparse.OptionParser()
+ parser.add_option(
+ '--user', dest='user_install', action='store_true', default=False,
+ help='install in user site package (requires Python 2.6 or later)')
+ parser.add_option(
+ '--download-base', dest='download_base', metavar="URL",
+ default=DEFAULT_URL,
+ help='alternative URL from where to download the setuptools package')
+ parser.add_option(
+ '--insecure', dest='downloader_factory', action='store_const',
+ const=lambda: download_file_insecure, default=get_best_downloader,
+ help='Use internal, non-validating downloader'
+ )
+ parser.add_option(
+ '--version', help="Specify which version to download",
+ default=DEFAULT_VERSION,
+ )
+ options, args = parser.parse_args()
+ # positional arguments are ignored
+ return options
+
+def main():
+ """Install or upgrade setuptools and EasyInstall"""
+ options = _parse_args()
+ archive = download_setuptools(
+ version=options.version,
+ download_base=options.download_base,
+ downloader_factory=options.downloader_factory,
+ )
+ return _install(archive, _build_install_args(options))
+
+if __name__ == '__main__':
+ sys.exit(main())
diff --git a/run.py b/run.py
new file mode 100755
index 0000000..641c718
--- /dev/null
+++ b/run.py
@@ -0,0 +1,142 @@
+#!/usr/bin/env python
+"""
+Run sasview in place. This allows sasview to use the python
+files in the source tree without having to call setup.py install
+first. A rebuild is still necessary when working on sas models
+or c modules.
+
+Usage:
+
+./run.py [(module|script) args...]
+
+Without arguments run.py runs sasview. With arguments, run.py will run
+the given module or script.
+"""
+
+import os
+import sys
+import imp
+from contextlib import contextmanager
+from os.path import abspath, dirname, join as joinpath
+
+
+def addpath(path):
+ """
+ Add a directory to the python path environment, and to the PYTHONPATH
+ environment variable for subprocesses.
+ """
+ path = abspath(path)
+ if 'PYTHONPATH' in os.environ:
+ PYTHONPATH = path + os.pathsep + os.environ['PYTHONPATH']
+ else:
+ PYTHONPATH = path
+ os.environ['PYTHONPATH'] = PYTHONPATH
+ sys.path.insert(0, path)
+
+ at contextmanager
+def cd(path):
+ """
+ Change directory for duration of "with" context.
+ """
+ old_dir = os.getcwd()
+ os.chdir(path)
+ yield
+ os.chdir(old_dir)
+
+def import_package(modname, path):
+ """Import a package into a particular point in the python namespace"""
+ mod = imp.load_source(modname, abspath(joinpath(path,'__init__.py')))
+ sys.modules[modname] = mod
+ mod.__path__ = [abspath(path)]
+ return mod
+
+def import_dll(modname, build_path):
+ """Import a DLL from the build directory"""
+ import sysconfig
+ ext = sysconfig.get_config_var('SO')
+ # build_path comes from context
+ path = joinpath(build_path, *modname.split('.'))+ext
+ #print "importing", modname, "from", path
+ return imp.load_dynamic(modname, path)
+
+def prepare():
+ # Don't create *.pyc files
+ sys.dont_write_bytecode = True
+
+ # Debug numpy warnings
+ #import numpy; numpy.seterr(all='raise')
+
+ # find the directories for the source and build
+ from distutils.util import get_platform
+ root = abspath(dirname(__file__))
+ platform = '%s-%s'%(get_platform(),sys.version[:3])
+ build_path = joinpath(root, 'build','lib.'+platform)
+
+ # Notify the help menu that the Sphinx documentation is in a different
+ # place than it otherwise would be.
+ os.environ['SASVIEW_DOC_PATH'] = joinpath(build_path, "doc")
+
+ # Make sure that we have a private version of mplconfig
+ #mplconfig = joinpath(abspath(dirname(__file__)), '.mplconfig')
+ #os.environ['MPLCONFIGDIR'] = mplconfig
+ #if not os.path.exists(mplconfig): os.mkdir(mplconfig)
+ #import matplotlib
+ #matplotlib.use('Agg')
+ #print matplotlib.__file__
+ #import pylab; pylab.hold(False)
+ # add periodictable to the path
+ try: import periodictable
+ except: addpath(joinpath(root, '..','periodictable'))
+
+ try: import bumps
+ except: addpath(joinpath(root, '..','bumps'))
+
+ # select wx version
+ #addpath(os.path.join(root, '..','wxPython-src-3.0.0.0','wxPython'))
+
+ # Build project if the build directory does not already exist.
+ if not os.path.exists(build_path):
+ import subprocess
+ with cd(root):
+ subprocess.call((sys.executable, "setup.py", "build"), shell=False)
+
+ # Put the source trees on the path
+ addpath(joinpath(root, 'src'))
+
+ # sasmodels on the path
+ addpath(joinpath(root, '../sasmodels/'))
+
+ # Import the sasview package from root/sasview as sas.sasview. It would
+ # be better to just store the package in src/sas/sasview.
+ import sas
+ sas.sasview = import_package('sas.sasview', joinpath(root,'sasview'))
+
+ # The sas.models package Compiled Model files should be pulled in from the build directory even though
+ # the source is stored in src/sas/models.
+
+ # Compiled modules need to be pulled from the build directory.
+ # Some packages are not where they are needed, so load them explicitly.
+ import sas.sascalc.pr
+ sas.sascalc.pr.core = import_package('sas.sascalc.pr.core',
+ joinpath(build_path, 'sas', 'sascalc', 'pr', 'core'))
+
+ # Compiled modules need to be pulled from the build directory.
+ # Some packages are not where they are needed, so load them explicitly.
+ import sas.sascalc.file_converter
+ sas.sascalc.file_converter.core = import_package('sas.sascalc.file_converter.core',
+ joinpath(build_path, 'sas', 'sascalc', 'file_converter', 'core'))
+
+ # Compiled modules need to be pulled from the build directory.
+ # Some packages are not where they are needed, so load them explicitly.
+ import sas.sascalc.calculator
+ sas.sascalc.calculator.core = import_package('sas.sascalc.calculator.core',
+ joinpath(build_path, 'sas', 'sascalc', 'calculator', 'core'))
+
+ sys.path.append(build_path)
+
+ #print "\n".join(sys.path)
+
+if __name__ == "__main__":
+ prepare()
+ from sas.sasview.sasview import run
+ run()
diff --git a/sasview/MANIFEST.IN b/sasview/MANIFEST.IN
new file mode 100644
index 0000000..2ca24ec
--- /dev/null
+++ b/sasview/MANIFEST.IN
@@ -0,0 +1,4 @@
+graft docs
+graft images
+include README.txt
+include license.txt
\ No newline at end of file
diff --git a/sasview/README-next-release.txt b/sasview/README-next-release.txt
new file mode 100644
index 0000000..4852f2a
--- /dev/null
+++ b/sasview/README-next-release.txt
@@ -0,0 +1,10 @@
+ - New in Version 3.?.?
+ --------------------
+
+ - New models were added:
+ - LamellarPolLz
+
+ - Existing models were updated:
+ - LamellarPS and LamellarPSHG have been changed to LamellarCaille and
+ LamellarCailleHG
+
diff --git a/sasview/README.txt b/sasview/README.txt
new file mode 100644
index 0000000..c557f9e
--- /dev/null
+++ b/sasview/README.txt
@@ -0,0 +1,613 @@
+Release Notes
+=============
+
+1- Features
+===========
+ - New in Version 4.1.2
+ --------------------
+ This point release is a bug-fix release addressing:
+
+ - Fixes #984: PDF Reports Generate Empty PDFs
+ - Fixes a path typo
+ - 64 bit and 32 bit Windows executables now available
+
+ It is recommended that all users upgrade to this version
+
+ - New in Version 4.1.1
+ --------------------
+ This point release is a bug-fix release addressing:
+
+ - Fixes #948: Mathjax CDN is going away
+ - Fixes #938: Cannot read canSAS1D file output by SasView
+ - Fixes #960: Save project throws error if empty fit page
+ - Fixes #929: Problem deleting data in first fit page
+ - Fixes #918: Test folders not bundled with release
+ - Fixes an issue with the live discovery of plugin models
+ - Fixes an issue with the NXcanSAS data loader
+ - Updated tutorials for SasView 4.x.y
+
+ - New in Version 4.1.0
+ ------------------
+ This incremental release brings a series of new features and improvements,
+ and a host of bug fixes. Of particular note are:
+
+ - Correlation Function Analysis (Corfunc)
+ This performs a correlation function analysis of one-dimensional SAXS/SANS data,
+ or generates a model-independent volume fraction profile from the SANS from an
+ adsorbed polymer/surfactant layer.
+
+ A correlation function may be interpreted in terms of an imaginary rod moving
+ through the structure of the material. Γ1D(R) is the probability that a rod of
+ length R moving through the material has equal electron/neutron scattering
+ length density at either end. Hence a frequently occurring spacing within a
+ structure manifests itself as a peak.
+
+ A volume fraction profile \Phi(z) describes how the density of polymer
+ segments/surfactant molecules varies with distance from an (assumed locally flat)
+ interface.
+
+ - Fitting of SESANS Data
+ Data from Spin-Echo SANS measurements can now be loaded and fitted. The data will
+ be plotted against the correct axes and models will automatically perform a Hankel
+ transform in order to calculate SESANS from a SANS model.
+
+ - Documentation
+ The documentation has undergone significant checking and updating.
+
+ - Improvements
+ - Correlation function (corfunc) analysis of 1D SAS data added from CCP13
+ - File converter tool for multi-file single column data sets
+ - SESANS data loading and direct fitting using the Hankel transformation
+ - Saving and loading of simultaneous and constrained fits now supported
+ - Save states from SasView v3.x.y now loaded using sasmodel model names
+ - Saving and loading of projects with 2D fits now supported
+ - Loading a project removes all existing data, fits, and plots
+ - Structure factor and form factor can be plotted independently
+ - OpenCL is disabled by default and can be enabled through a fit menu
+ - Data and theory fields are now independently expandable
+ - Bug Fixes
+ - Fixes #667: Models computed multiple times on parameters changes
+ - Fixes #673: Custom models override built in models of same name
+ - Fixes #678: Hard crash when running complex models on GPU
+ - Fixes $774: Old style plugin models unloadable
+ - Fixes #789: stacked disk scale doesn't match cylinder model
+ - Fixes #792: core_shell_fractal uses wrong effective radius
+ - Fixes #800: Plot range reset on plot redraws
+ - Fixes #811 and #825: 2D smearing broken
+ - Fixes #815: Integer model parameter handling
+ - Fixes #824: Cannot apply sector averaging when no detector data present
+ - Fixes #830: Cansas HDF5 reader fully compliant with NXCanSAS v1.0 format
+ - Fixes #835: Fractal model breaks with negative Q values
+ - Fixes #843: Multilayer vesicle does not define effective radius
+ - Fixes #858: Hayter MSA S(Q) returns errors
+ - Numerous grammatical and contexual errors in documention
+
+
+ - New in Version 4.0.1
+ ------------------
+ This release fixes the critical bug #750 in P(Q)*S(Q). Most damaging
+ it appears that the background term was being added to S(Q) prior to
+ multiplication by P(Q).
+
+
+ - New in Version 4.0
+ ------------------
+ This release fixes the various bugs found during the alpha and beta testing
+ - Improvements
+ - Support for reading data files from Anton Paar Saxess instruments
+ - Adds documentation on how to write custom models in the new framework
+ - Bug Fixes
+ - Fixes bug #604 Pringle model questions
+ - Fixes bug #472 Reparameterize Teubner-Strey
+ - Fixes bug #530 Numerical instabilities in Teubner Strey model
+ - Fixes bug #658 ASCII reader very broken
+
+
+ - New in Version 4.0 beta 1
+ --------------------
+ This beta adds support for the magnetic and multilevel models of 3.1.2
+ and along with a host of bug fixes found in the alpha.
+
+ - Model package changes and improvements
+ - All 3.1.2 models now available in new interface
+ - Old custom models should now still work
+ - '''NOTE:''' These will be deprecated in a future version. Old
+ custom models should be converted to the new model format which
+ is now the same as the built in models and offers much better
+ support.
+ - Custom model editor now creates new style models
+ - Custom model editor supports better error checking
+ - Documentation improvements
+ - Continued general cleanup
+ - Other improvements/additions
+ - Support for new canSAS 2D data files added
+ - Plot axes range can now be set manually as well as by zooming
+ - Plot annotations can now be moved around after being placed on plot.
+ - The active optimizer is now listed on the top of the fit panel.
+ - Linear fits now update qmin and max when the x scale limits are
+ changed. Also the plot range no longer resets after a fit.
+ - Bug fixes
+ - Fixes bug #511 Errors in linearized fits and clean up of interface
+ including Kratky representation
+ - Fixes bug #186 Data operation Tool now executes when something is
+ entered in the text box and does not wait for the user to hit enter
+ - Fixes bug #459 plot context menu bug
+ - Fixes bug #559 copy to clipboard in graph menu broken
+ - Fixes bug #466 cannot remove a linear fit from graph
+ - Numerous bugs introduced in the alpha
+
+
+
+ - New in Version 4.0.0-alpha
+ --------------------
+ This alpha release brings a major overhaul of the model system. The new model
+ package allows rapid integration of custom models and access to polydispersity
+ without requiring a compiler.
+
+ - Model package changes and improvements
+ - Model interface moved to independent sasmodels package.
+ - Most models converted to new interface.
+ - Allows rapid integration of user-written models.
+ - OpenCL GPU utilization for faster fitting.
+ - Improved numerical integration of Bessel functions.
+ - SESANS integration and implementation
+ - Scripting interface added for analysis of SESANS data.
+ - Hankel transformation now accepts finite acceptance angles.
+ - 2D cosine transformation added for TOF SESANS analysis.
+ - Documentation improvements
+ - The documentation tree was restructured for a better end user experience.
+ - The documentation for each model was revamped and verified by at least
+ two people following the conversion of the model.
+ - Theoretical 1D (and 2D if applicable) scattering curves are auto-generated
+ and added to the model documentation for each model.
+ - Separation of GUI and calculations for future GUI enhancements
+ - Bug fixes
+ - Fixes bug #411 No stop button on simultaneous fit page
+ - Fixes bug #410 Error with raspberry model
+ - Fixes bug #364 Possible inconsistency in Poly_GausCoil model
+ - Fixes bug #439 Hayter Penfold MSA code needs checking
+ - Fixes bug #484 lammellerPC is precision limited
+ - Fixes bug #498 $HOME/.matplotlib conflicts
+ - Fixes bug #348 Control order in which fit parameters appear in the gui
+ - Fixes bug #456 Provide DREAM Results Panel with something to identify
+ data and age of results
+ - Fixes bug #556 Build script improvements for developers
+
+
+
+ - New in Version 3.1.2
+ --------------------
+ This release is a major stability improvement, having fixed a serious bug
+ that came to light since release 3.1.1. All users should upgrade.
+
+ - Fixes bug #468 broken remove constraint buttons in
+ simultaneous/constrained fitting panel
+ - Fixes bug #474 resulting from changes in 3.1.1 that had
+ introduced an error in the high-Q of slit-smeared models.
+ - Fixes bug #478 which would cause wx to run out of IDs and result
+ in SasView crashing even if left alone.
+ - Fixes bug #479 missing help button on simultaneous/constrained fit page
+ - Fixes bug #480 GUI resizing issues on simultaneous fit page
+ - Fixes bug #486 broken Report Results
+ - Fixes bug #488 redraw issues in fit page
+
+
+
+ - New in Version 3.1.1
+ --------------------
+ - Fixes bug #457 that prevented SasView from starting if the user was not
+ connected to the internet, or was behind a proxy server.
+
+ - New in Version 3.1.0
+ --------------------
+ - The documentation/help has had a complete overhaul including:
+ - A completely new presentation interface (Sphinx).
+ - Proof reading!
+ - Updating for latest features.
+ - A Help (or sometimes ?) button has been added to every panel, and some
+ sub panels if appropriate, linking to the appropriate section in the
+ documentation.
+ - The model help has been split so that the Details button now brings up
+ a very short pop-up giving the equation being used while HELP goes to
+ the section in the full documentation describing the model.
+ - Extensive help has also been added for the new optimizer engine (see
+ below) including rules of thumb on how and when to choose a given
+ optimizer and what the parameters do.
+ - The optimizer engine has been completely replaced. The new optimizer
+ still defaults to the standard Levenberg-Marquardt algorithm. However 4
+ other optimizers are now also available. Each starts with a set of default
+ parameters which can be tuned. The DREAM optimizer takes the longest but
+ is the most powerful and yields rich information including full parameter
+ correlation and uncertainty plots. A results panel has been added to
+ accommodate this.
+ - The five new optimizers are:
+ - A Levenberg-Marquardt optimizer
+ - A Quasi-Newton BFGS optimizer
+ - A Nelder-Mead Simplex optimizer
+ - A Differential Evolution optimizer
+ - A Monte Carlo optimizer (DREAM)
+ - New models were added:
+ - MicelleSphCoreModel (currently residing in the Uncategorized category)
+ - Existing models were updated:
+ - LamellarPS (bug in polydispersity integration fixed)
+ - RectangularPrismModel
+ - RectangularHollowPrismModel
+ - RectangularHollowPrismInfThinWallsModel
+ - Infrastructure to allow SESANS data to be fit with models was added. This
+ will become available in a future release but can currently be used from
+ the command line with some caveats.
+ - A number of bugs were fixed including a thread crashing issue and an
+ incorrect slit smearing resolution calculation.
+ - Implemented much more robust error logging to enable much easier
+ debugging in general but particularly the debugging of issues reported by
+ SasView users.
+ - A number of infrastructure tasks under the hood to enhance maintainability
+ - Upgrade from Wx 2.8 to Wx 3.0.2 which allows several new features but
+ required significant additional rework as well.
+ - Fully implemented Sphinx to the build process to produce both better
+ user documentation and developer documentation.
+ - Restructuring of the code base to more unified nomenclature and structure
+ so that the source installation tree more closely matches the installer
+ version tree.
+ - Code cleanup (an ongoing task) .
+ - Migration of the repository to github simplifying contributions from
+ non-project personnel through pull requests.
+
+ - New in Version 3.0.0
+ --------------------
+ - The GUI look and feel has been refactored to be more familiar for
+ Windows users by using MDI frames. Graph windows are also now free-
+ floating.
+ - Five new models have been added: PringlesModel, CoreShellEllipsoidXTModel,
+ RectangularPrismModel, RectangularHollowPrismModel and
+ RectangularHollowPrismInfThinWallsModel.
+ - The data loader now supports ILL DAT data files and reads the full meta
+ information from canSAS file formats.
+ - Redefined convention for specifying angular parameters for anisotropic
+ models.
+ - A number of minor features have been added such as permitting a log
+ distribution of points when using a model to simulate data, and the
+ addition of a Kratky plot option to the linear plots.
+ - A number of bugs have also been fixed.
+ - Save Project and Save Analysis now work more reliably.
+ - BETA: Magnetic contrast supporting full polarization analysis has been
+ implemented for some spherical and cylindrical models.
+ - BETA: Two new tools have been added:
+ - A generic scattering calculator which takes an atomic, magnetic or
+ SLD distribution in space and generates the appropriate 2D
+ scattering pattern. In some cases the orientationally averaged
+ (powder) 1D scattering can also be computed. Supported formats
+ include: SLD or text, PDB, and OMF magnetic moment distribution
+ file.
+ - An image viewer/converter for data in image format; this reads in
+ an image file and will attempt to convert the image pixels to
+ data. Supported formats include: TIFF, TIF, PNG, BMP, JPG.
+
+ - New in Version 2.2.1
+ --------------------
+ - Minor patch to support CanSAS XML v1.1 file format
+ - Added DataInfo for data in the DataExplorer and plots
+ - Added Maximize/Restore button in the title bar of the graphs
+ - Added a hide button in the toolbar of the graph panel
+ - The 'x' button now deletes a graph
+ - Edit SUM Model from the menubar can now generate and save more than one sum model
+ - Reports can now be saved in pdf format on WIN and MAC
+ - Made significant improvements to the batch/grid panel and fixed several bugs
+ - Fixed a number of other minor bugs
+
+ - New in Version 2.2.0
+ --------------------
+ - Application name changed to SasView
+ - New fully customizable Category Manager added for better management of
+ increasing number of models
+ - Improved the Grid Window functionality in the batch fitting mode
+ - Added a simpler Graph/Plot modification interface
+ - Added a new 'Data Operation' tool for addition, subtraction, multiplication,
+ division, of two data sets.
+ - The 'Sum Model' editor was extended and renamed 'Summation and Multiplication'
+ editor
+ - Added more plot symbols options for 1d plots
+ - Added improved trapping of compiling errors to the 'New model editor'
+ - Added some intelligent outputs (e.g., Rg, background, or rod diameter
+ depending on the choice of axis scale of the plot) to the linear fits
+ - Added more models
+
+ - Feature set from previous versions
+ -----------------------------------
+ - Perspectives Available
+ - Invariant calculator: Calculates the invariant, volume fraction, and
+ specific surface area.
+ - P(r) inversion calculator: Indirect Fourier transformation method.
+ - Fitting: the tool used for modeling and fitting 1D and 2D data to
+ analytical model functions
+ - Tools: provides a number of useful supplementary tools such as SLD
+ calculation
+
+ - Fitting
+ - Includes a large number of model functions, both form factors and structure factors.
+ - Support P(Q)*S(Q) for form factors that flag they can be so multiplied.
+ - Supports Gaussian, lognormal, Shulz, rectangular and custom distribution
+ functions for models that need to include polydispersity or for orientational
+ distributions if appropriate.
+ - Anisotropic shapes and magnetic moment modeling in 2D allow for a non-uniform
+ distribution of orientations of a given axis leading to modeling and fitting
+ capabilities of non azimuthaly symmetric data.
+ - User can choose to weight fits or not. If using weights, the user can choose
+ the error bar on each point if provided in the file, the square root
+ of the intensity or the intensity itself.
+ - Instrumental resolution smearing of model or fits is provided with several
+ options: read the resolution/point fromt he file. Input a pinhole resolution
+ or a slit resolution.
+ - Users can define the Qrange (Qmin and Qmax) for both 1D and 2D data for
+ fitting and modeling, but not graphically. The range can be reset to the
+ defaults (limits of q in data set for a fit) with the reset button.
+ - A mask can be applied to 2D calculation and fitting.
+ - Normalized residual plots are provided with every fit.
+ - Model function help available through detail button or from the fitting panel.
+ - Simultaneous/(advanced)constrained fitting allows for fitting a single
+ data set or several different sets simultaneously with the application
+ of advanced constraints relating fit parameters to functions of other
+ parameters (including from a different set). For example thickness of
+ shell = sin(30) times the length.
+ - Models that are the sum of two other models can be easily generated through the
+ SUM Model menubar item.
+ - New Python models can be added on the fly by creating an appropriate Python
+ file in the model plugin directory. Two tools are provided to help:
+ An easy to use custom model editor allows the quick generation of new Python
+ models by supplying only the parameters and their default value (box 1)
+ and the mathematical function of the model (box 2) and generating the
+ necessary *.py file. A separate advanced model editor provides a full Python
+ file editor. Either way once saved the model becomes immediately available
+ to the application.
+ - A batch fitting capability allows for the analysis of a series of data sets to
+ a single model and provides the results in a tabular form suitable for saving
+ or plotting the evolution of the fit parameters with error bars (from within
+ the application).
+
+ - Tools
+ - A scattering length density calculator,including some X-ray information
+ is provided.
+ - A density to vol. fraction converter is provided
+ - In application access to a Python shell/editor (PyCrust) is provided
+ - An instrument resolution calculator, including possible gravitational and
+ TOF effects is provided
+ - A slit size calculator optimized for Anton Paar Saxess is provided.
+ - A kiessig fringe thickness calculator is provided
+
+ - Plots and plot management
+ - A 3D graphing option (for 2d data/results) is provided with the view
+ controlled by the mouse
+ - 2D plots are shown with an intensity color bar. 2D Color map can be user
+ adjusted.
+ - Supports output of plot to a variety of graphic formats. Supported formats
+ include: png, eps, emf, jpg/jpeg, pdf, ps, tif/tiff, rawRGBbitmap(raw, rgba),
+ and scalable vector graphic (svg/svgz)
+ - Supports ouput of data in plot (1 or 2D) to limited data formats
+ - Multiple data sets can be loaded into a single graph for viewing (but a fit
+ plot can currently only have a single plot).
+ - Extensive context sensitive plot/fitting/manipulation options are available
+ through a right mouse click pop-up menu on plots.
+
+ - Data management
+ - Supports 2 + column 1D ASCII data, NIST 1D and 2D data, and canSAS data
+ via plug-in mechanism which can easily allow other readers as appropriate.
+ - 2D data is expected in Q space but for historical reasons accepts the
+ NIST 2D raw pixel format and will do conversion internally.
+ - The full data and metadata available to SasView is viewable in ASCII via
+ right clicking on a data set and choosing Data Info in the DataExplorer
+ or on the plots
+ - Supports loading a single file, multiple files, or a whole folder
+ - An optional Data Explorer is provided (default) which simplifies managing,
+ plotting, deleting, or setup for computation. Most functions however do
+ not require access to the explorer/manager and can be accessed through
+ right click menus and the toolbar. The data explorer can be re-started
+ from the menu bar.
+
+ - Data manipulation
+ - Support various 2D averaging methods : Circular, sectors, annular,
+ boxsum, boxQx and boxQy.
+ - A 2D data maks editor is provided
+ - 2D mask can be applied to the circular averaging.
+
+ - Miscellaneous features
+ - limited reports can be generated in pdf format
+ - Provides multiprocessor support(Windows only)
+ - Limited startup customization currently includes default startup
+ data folder and choice of default starting with data manager
+ - Limited support for saving(opening) a SasView project or a SasView analysis
+ (subproject) is provided.
+ - SasView can be launched and loaded with a file of interesty by double-clicking
+ on that file (recognized extension)
+ - A data file or data folder can be passed to SasView when launched from
+ the command line.
+ - Limited bookmarking capability to later recall the results of a fit calculation
+ is provided.
+ - Extensive help is provided through context sensitive mouse roll-over,
+ information bar (at the bottom of the panel), the console menu, and
+ access to the help files in several different ways.
+
+
+2- Downloading and Installing
+=============================
+
+ *** Note 1: Much more information is available at www.sasview.org under links.
+ Look in the 'For Developers' section and particularly the wiki at
+ www.sasview.org/trac/wiki.
+ *** Note 2: If you have EXE or ZIP SasView installer, you won't need any of
+ the following. However it is highly recommended that any
+ previous versions be un-installed prior to installing the
+ new version.
+
+ 2.1- System Requirements
+ - Python version >= 2.5 and < 3.0 should be running on the system
+ - We currently use Python 2.7
+
+ 2.2- Installing from source
+ - Get the source code
+ - to follow the current development version from source control use
+ git clone https://github.com/SasView/sasview.git
+ git clone https://github.com/bumps/bumps.git
+ - to install a specific version
+
+ - Build, install and run a specific release
+ - make sure the requirements below are already installed
+ - retrieve the source from https://github.com/SasView/sasview/releases
+ - open a command line window in the 'sasview-x.x.x' directory
+ - run 'python setup.py install'
+ - run 'python sasview.py' under the 'sasview' folder.
+
+ - Build, install and run the current development version
+ - clone the source from git; also clone bumps, which is developed in parallel
+ git clone https://github.com/SasView/sasview.git
+ git clone https://github.com/bumps/bumps.git
+ - open a command line window in the 'sasview' directory
+ - run 'python setup.py build'
+ - run 'python run.py'; this runs from the source directories, so you
+ don't have to rebuild every time you make a change, unless you are
+ changing the C++ model files
+
+ - The following modules are required (version numbers are what are used
+ in the windows release build):
+
+ - Common Packages
+ - reportlab 3.1.44
+ - lxml 3.4.4.0 (MAC 3.4.2.0)
+ - PIL 1.1.7
+ - xhtml2pdf 3.0.33 (MAC = not installed on build server)
+ - unittest-xml-reporting 1.12.0 (MAC 1.10.0)
+ - matplotlib Version Installed: 1.4.3 (MAC 1.1.1)
+ - bumps Version Installed: 0.7.5.9
+ - scipy Version Installed: 0.16.0b2 (MAC 0.11.0)
+ - periodictable Version Installed: 1.4.1
+ - setuptools Version Installed: 7.0 (MAC 12.0.5)
+ - sphinx Version Installed: 1.3.1 (MAC 1.3b2)
+ - pyparsing Version Installed: 2.0.3
+ - numpy Version Installed: 1.9.2 (MAC 1.6.2)
+ - html5lib Version Installed: 0.99999
+ - wx Version Installed: 3.0.2.0
+
+ - Windows Specific Packages
+ - pywin 219
+ - py2exe 0.6.9
+ - comtypes 1.1.1
+ - MinGW w/ gcc version 4.6.1 (WIN)
+ - vcredist_x86.exe (version 9.0.21022.8 -microsoft visual C 2008
+ re-distributable)
+ - Innosetup (WIN - isetup 5.4.2-unicode) - used to create distributable
+
+ *** Note: Windows build dependencies can be set up using anaconda. Instructions
+ can be found at http://trac.sasview.org/wiki/AnacondaSetup
+
+ - MAC Specifc Packages
+ - py2app 0.7.1
+
+
+3- Known Issues
+===============
+
+
+ 4.1- All systems:
+ The conversion to sasmodels infrastructure is ongoing and should be
+ completed in the next release. In the meantime this leads to a few known
+ issues:
+ - The way that orientation is defined is being refactored to address
+ long standing issues and comments. In release 4.1 however only models
+ with symmetry (e.g. a=b) have been converted to the new definitions.
+ The rest (a <> b <> c - e.g. parellelepiped) maintain the same
+ definition as before and will be converted in 4.2. Note that
+ orientational distribution also makes much more sense in the new
+ framework. The documentation should indicate which definition is being
+ used for a given model.
+ - The infrastructure currently handles internal conversion of old style
+ models so that user created models in previous versions should continue
+ to work for now. At some point in the future such support will go away.
+ Everyone is encouraged to convert to the new structure which should be
+ relatively straight forward and provides a number of benefits.
+ - In that vein, the distributed models and those generated by the new
+ plugin model editor are in the new format, however those generated by
+ sum|multiply models are the old style sum|multiply models. This should
+ also disappear in the near future
+ - The on the fly discovery of plugin models and changes thereto behave
+ inconsistently. If a change to a plugin model does not seem to
+ register, the Load Plugin Models (under fitting -> Plugin Model
+ Operations) can be used. However, after calling Load Plugin Models, the
+ active plugin will no longer be loaded (even though the GUI looks like
+ it is) unless it is a sum|multiply model which works properly. All
+ others will need to be recalled from the model dropdown menu to reload
+ the model into the calculation engine. While it might be annoying it
+ does not appear to prevent SasView from working..
+ - The model code and documentation review is ongoing. At this time the
+ core shell parellelepiped is known to have the C shell effectively fixed
+ at 0 (noted in documentation) while the triaxial ellipsoid does not seem
+ to reproduce the limit of the oblate or prolate ellipsoid. If errors are
+ found and corrected, corrected versions will be uploaded to the
+ marketplace.
+
+ 3.1- All systems:
+ - The documentation window may take a few seconds to load the first time
+ it is called. Also, an internet connection is required before
+ equations will render properly. Until then they will show in their
+ original TeX format.
+ - If the documentation window remains stubbornly blank, try installing a
+ different browser and set that as your default browser. Issues have
+ been noted with Internet Explorer 11.
+ - Check for Updates may fail (with the status bar message ' Cannot
+ connect to the application server') if your internet connection uses
+ a proxy server. Tested resolutions for this are described on the
+ website FAQ.
+ - The copy and paste functions (^C, ^V) in the batch mode results grid
+ require two clicks: one to select the cell and a second to select the
+ contents of the cell.
+ - The tutorial has not yet been updated and is somewhat out of date
+ - Very old computers may struggle to run the 3.x and later releases
+ - Polydispersity on multiple parameters included in a simultaneous/
+ constrained fit will likely not be correct
+ - Constrained/simultaneous fit page does not have a stop button
+ - Constrained/simultaneous fit do not accept min/max limits
+ - Save project does not store the state of all the windows
+ - Loading projects can be very slow
+ - Save Project only works once a data set has been associated with
+ a model. Error is reported on status bar.
+ - There is a numerical precision problem with the multishell model when
+ the iner radius gets large enough (ticket #288)
+ - The angular distribution angles are not clearly defined and may in
+ some cases lead to incorrect calculations(ticket #332)
+
+ 3.2- Windows:
+ - If installed to same directory as old version without first removing
+ the old version, the old desktop icon will remain but point to the
+ new exe version. Likewise all the start menu folders and items will
+ have the old name even though pointing to the new version. Usually
+ safest to uninstall old version prior to installing new version anyway.
+
+ 3.3- MAC:
+ - Application normally starts up hidden. Click icon in Dock to view/use
+ application.
+ - Multiprocessing does not currently work on MAC OS
+
+ 3.4- Linux:
+ - Not well tested
+
+
+4- SasView website
+==================
+
+ - www.sasview.org. This main project site is the gateway to all
+ information about the sasview project. It includes information
+ about the project, a FAQ page and links to all developer and user
+ information, tools and resources.
+
+
+5- Frequently Asked Questions
+=============================
+
+ - www.sasview.org/faq.html
+
+
+6- Installer download website
+=============================
+
+ - Latest release Version
+ - https://github.com/SasView/sasview/releases
+ - Latest developer builds
+ - https://jenkins.esss.dk/sasview/view/Master-Builds/
diff --git a/sasview/__init__.py b/sasview/__init__.py
new file mode 100644
index 0000000..dbc9890
--- /dev/null
+++ b/sasview/__init__.py
@@ -0,0 +1,18 @@
+__version__ = "4.1.2"
+__build__ = "GIT_COMMIT"
+try:
+ import logging
+ import subprocess
+ import os
+ import platform
+ FNULL = open(os.devnull, 'w')
+ if platform.system() == "Windows":
+ args = ['git', 'describe', '--tags']
+ else:
+ args = ['git describe --tags']
+ git_revision = subprocess.check_output(args,
+ stderr=FNULL,
+ shell=True)
+ __build__ = str(git_revision).strip()
+except subprocess.CalledProcessError as cpe:
+ logging.warning("Error while determining build number\n Using command:\n %s \n Output:\n %s"% (cpe.cmd,cpe.output))
diff --git a/sasview/custom_config.py b/sasview/custom_config.py
new file mode 100644
index 0000000..ecf5133
--- /dev/null
+++ b/sasview/custom_config.py
@@ -0,0 +1,17 @@
+"""
+ Application appearance custom configuration
+"""
+DATAPANEL_WIDTH = -1
+CLEANUP_PLOT = False
+FIXED_PANEL = True
+PLOPANEL_WIDTH = -1
+DATALOADER_SHOW = True
+GUIFRAME_HEIGHT = -1
+GUIFRAME_WIDTH = -1
+CONTROL_WIDTH = -1
+CONTROL_HEIGHT = -1
+DEFAULT_OPEN_FOLDER = None
+WELCOME_PANEL_SHOW = False
+TOOLBAR_SHOW = True
+DEFAULT_PERSPECTIVE = "Fitting"
+SAS_OPENCL = "None"
diff --git a/sasview/images/SVwelcome.png b/sasview/images/SVwelcome.png
new file mode 100644
index 0000000..35d711f
Binary files /dev/null and b/sasview/images/SVwelcome.png differ
diff --git a/sasview/images/SVwelcome_mini.png b/sasview/images/SVwelcome_mini.png
new file mode 100644
index 0000000..cd72128
Binary files /dev/null and b/sasview/images/SVwelcome_mini.png differ
diff --git a/sasview/images/angles.png b/sasview/images/angles.png
new file mode 100644
index 0000000..21a7b48
Binary files /dev/null and b/sasview/images/angles.png differ
diff --git a/sasview/images/angles_flat.png b/sasview/images/angles_flat.png
new file mode 100644
index 0000000..913070e
Binary files /dev/null and b/sasview/images/angles_flat.png differ
diff --git a/sasview/images/ansto_logo.png b/sasview/images/ansto_logo.png
new file mode 100644
index 0000000..972382b
Binary files /dev/null and b/sasview/images/ansto_logo.png differ
diff --git a/sasview/images/ball.icns b/sasview/images/ball.icns
new file mode 100644
index 0000000..552c0c3
Binary files /dev/null and b/sasview/images/ball.icns differ
diff --git a/sasview/images/ball.ico b/sasview/images/ball.ico
new file mode 100644
index 0000000..b62ed66
Binary files /dev/null and b/sasview/images/ball.ico differ
diff --git a/sasview/images/danse_logo.png b/sasview/images/danse_logo.png
new file mode 100644
index 0000000..2054e8c
Binary files /dev/null and b/sasview/images/danse_logo.png differ
diff --git a/sasview/images/ess_logo.png b/sasview/images/ess_logo.png
new file mode 100644
index 0000000..fe6890e
Binary files /dev/null and b/sasview/images/ess_logo.png differ
diff --git a/sasview/images/ill_logo.png b/sasview/images/ill_logo.png
new file mode 100644
index 0000000..d6c5a5f
Binary files /dev/null and b/sasview/images/ill_logo.png differ
diff --git a/sasview/images/isis_logo.png b/sasview/images/isis_logo.png
new file mode 100644
index 0000000..68fa010
Binary files /dev/null and b/sasview/images/isis_logo.png differ
diff --git a/sasview/images/nist_logo.png b/sasview/images/nist_logo.png
new file mode 100644
index 0000000..b56b50b
Binary files /dev/null and b/sasview/images/nist_logo.png differ
diff --git a/sasview/images/nsf_logo.png b/sasview/images/nsf_logo.png
new file mode 100644
index 0000000..6a6de3d
Binary files /dev/null and b/sasview/images/nsf_logo.png differ
diff --git a/sasview/images/ornl_logo.png b/sasview/images/ornl_logo.png
new file mode 100644
index 0000000..9522889
Binary files /dev/null and b/sasview/images/ornl_logo.png differ
diff --git a/sasview/images/sns_logo.png b/sasview/images/sns_logo.png
new file mode 100644
index 0000000..1313655
Binary files /dev/null and b/sasview/images/sns_logo.png differ
diff --git a/sasview/images/tudelft_logo.png b/sasview/images/tudelft_logo.png
new file mode 100755
index 0000000..581c77c
Binary files /dev/null and b/sasview/images/tudelft_logo.png differ
diff --git a/sasview/images/umd_logo.png b/sasview/images/umd_logo.png
new file mode 100644
index 0000000..39ecd03
Binary files /dev/null and b/sasview/images/umd_logo.png differ
diff --git a/sasview/images/utlogo.gif b/sasview/images/utlogo.gif
new file mode 100644
index 0000000..073a93a
Binary files /dev/null and b/sasview/images/utlogo.gif differ
diff --git a/sasview/installer_generator.py b/sasview/installer_generator.py
new file mode 100644
index 0000000..c1ad99a
--- /dev/null
+++ b/sasview/installer_generator.py
@@ -0,0 +1,370 @@
+"""
+This module generates .iss file according to the local config of
+the current application. Please make sure a file named "local_config.py"
+exists in the current directory. Edit local_config.py according to your needs.
+"""
+import local_config
+import os
+import string
+
+REG_PROGRAM = """{app}\MYPROG.EXE"" ""%1"""
+APPLICATION = str(local_config.__appname__ )+ '.exe'
+AppName = str(local_config.__appname__ )
+AppVerName = str(local_config.__appname__ )+'-'+ str(local_config.__version__)
+Dev = ''
+if AppVerName.lower().count('dev') > 0:
+ Dev = '-Dev'
+AppPublisher = local_config._copyright
+AppPublisherURL = local_config._homepage
+AppSupportURL = local_config._homepage
+AppUpdatesURL = local_config._homepage
+ChangesEnvironment = 'true'
+DefaultDirName = os.path.join("{pf}" , AppName+Dev)
+DefaultGroupName = os.path.join(local_config.DefaultGroupName, AppVerName)
+
+OutputBaseFilename = local_config.OutputBaseFilename
+SetupIconFile = "images\\ball.ico"
+LicenseFile = 'license.txt'
+DisableProgramGroupPage = 'yes'
+Compression = 'lzma'
+SolidCompression = 'yes'
+PrivilegesRequired = 'none'
+INSTALLER_FILE = 'installer'
+
+icon_path = local_config.icon_path
+media_path = local_config.media_path
+test_path = local_config.test_path
+
+def find_extension():
+ """
+ Describe the extensions that can be read by the current application
+ """
+ list_data = []
+ list_app =[]
+ try:
+
+ #(ext, type, name, flags)
+ from sas.sascalc.dataloader.loader import Loader
+ wild_cards = Loader().get_wildcards()
+ for item in wild_cards:
+ #['All (*.*)|*.*']
+ file_type, ext = string.split(item, "|*", 1)
+ if ext.strip() not in ['.*', ''] and ext.strip() not in list_data:
+ list_data.append((ext, 'string', file_type))
+ except:
+ pass
+ try:
+ file_type, ext = string.split(local_config.APPLICATION_WLIST, "|*", 1)
+ if ext.strip() not in ['.', ''] and ext.strip() not in list_app:
+ list_app.append((ext, 'string', file_type))
+ except:
+ pass
+ try:
+ for item in local_config.PLUGINS_WLIST:
+ file_type, ext = string.split(item, "|*", 1)
+ if ext.strip() not in ['.', ''] and ext.strip() not in list_app:
+ list_app.append((ext, 'string', file_type))
+ except:
+ pass
+ return list_data, list_app
+DATA_EXTENSION, APP_EXTENSION = find_extension()
+
+def write_registry(data_extension=None, app_extension=None):
+ """
+ create file association for windows.
+ Allow open file on double click
+ """
+ msg = ""
+ if data_extension is not None and data_extension:
+ openwithlist = "OpenWithList\%s" % str(APPLICATION)
+ msg = "\n\n[Registry]\n"
+ for (ext, type, _) in data_extension:
+ list = os.path.join(ext, openwithlist)
+ msg += """Root: HKCR;\tSubkey: "%s";\t""" % str(list)
+ msg += """ Flags: %s""" % str('uninsdeletekey noerror')
+ msg += "\n"
+ #list the file on right-click
+ msg += """Root: HKCR; Subkey: "applications\%s\shell\open\command";\t"""\
+ % str(APPLICATION)
+ msg += """ValueType: %s; """ % str('string')
+ msg += """ValueName: "%s";\t""" %str('')
+ msg += """ValueData: \"""{app}\%s"" ""%s1\"""; \t"""% (str(APPLICATION),
+ str('%'))
+ msg += """ Flags: %s""" % str('uninsdeletevalue noerror')
+ msg += "\n"
+ user_list = "Software\Classes"
+ for (ext, type, _) in data_extension:
+ list = os.path.join(user_list, ext, openwithlist)
+ msg += """Root: HKCU;\tSubkey: "%s";\t""" % str(list)
+ msg += """ Flags: %s""" % str('uninsdeletekey noerror')
+ msg += "\n"
+ #list the file on right-click
+ user_list = os.path.join("Software", "Classes", "applications")
+ msg += """Root: HKCU; Subkey: "%s\%s\shell\open\command";\t"""\
+ % (str(user_list), str(APPLICATION))
+ msg += """ValueType: %s; """ % str('string')
+ msg += """ValueName: "%s";\t""" %str('')
+ msg += """ValueData: \"""{app}\%s"" ""%s1\"""; \t"""% (str(APPLICATION),
+ str('%'))
+ msg += """ Flags: %s""" % str('uninsdeletevalue noerror')
+ msg += "\n"
+ if app_extension is not None and app_extension:
+ for (ext, type, _) in app_extension:
+ msg += """Root: HKCR;\tSubkey: "%s";\t""" % str(ext)
+ msg += """ValueType: %s;\t""" % str(type)
+ #file type empty set the current application as the default
+ #reader for this file. change the value of file_type to another
+ #string modify the default reader
+ file_type = ''
+ msg += """ValueName: "%s";\t""" % str('')
+ msg += """ValueData: "{app}\%s";\t""" % str(APPLICATION)
+ msg += """ Flags: %s""" % str('uninsdeletevalue noerror')
+ msg += "\n"
+ msg += """Root: HKCR; Subkey: "{app}\%s";\t""" % str(APPLICATION)
+ msg += """ValueType: %s; """ % str('string')
+ msg += """ValueName: "%s";\t""" % str('')
+ msg += """ValueData: "{app}\%s";\t""" % str("SasView File")
+ msg += """ Flags: %s \t""" % str("uninsdeletekey noerror")
+ msg += "\n"
+
+ #execute the file on double-click
+ msg += """Root: HKCR; Subkey: "{app}\%s\shell\open\command";\t""" % str(APPLICATION)
+ msg += """ValueType: %s; """ % str('string')
+ msg += """ValueName: "%s";\t""" %str('')
+ msg += """ValueData: \"""{app}\%s"" ""%s1\""";\t"""% (str(APPLICATION),
+ str('%'))
+ msg += """ Flags: %s \t""" % str("uninsdeletevalue noerror")
+ msg += "\n"
+ #create default icon
+ msg += """Root: HKCR; Subkey: "{app}\%s";\t""" % str(SetupIconFile)
+ msg += """ValueType: %s; """ % str('string')
+ msg += """ValueName: "%s";\t""" % str('')
+ msg += """ValueData: "{app}\%s,0";\t""" % str(APPLICATION)
+ msg += """ Flags: %s \t""" % str("uninsdeletevalue noerror")
+ msg += "\n"
+
+
+ #SASVIEWPATH
+ msg += """Root: HKLM; Subkey: "%s";\t""" % str('SYSTEM\CurrentControlSet\Control\Session Manager\Environment')
+ msg += """ValueType: %s; """ % str('expandsz')
+ msg += """ValueName: "%s";\t""" % str('SASVIEWPATH')
+ msg += """ValueData: "{app}";\t"""
+ msg += """ Flags: %s""" % str('uninsdeletevalue noerror')
+ msg += "\n"
+
+ #PATH
+ msg += """; Write to PATH (below) is disabled; need more tests\n"""
+ msg += """;Root: HKCU; Subkey: "%s";\t""" % str('Environment')
+ msg += """ValueType: %s; """ % str('expandsz')
+ msg += """ValueName: "%s";\t""" % str('PATH')
+ msg += """ValueData: "%s;{olddata}";\t""" % str('%SASVIEWPATH%')
+ msg += """ Check: %s""" % str('NeedsAddPath()')
+ msg += "\n"
+
+ return msg
+
+def write_language(language=['english'], msfile="compiler:Default.isl"):
+ """
+ define the language of the application
+ """
+ msg = ''
+ if language:
+ msg = "\n\n[Languages]\n"
+ for lang in language:
+ msg += """Name: "%s";\tMessagesFile: "%s"\n""" % (str(lang),
+ str(msfile))
+ return msg
+
+def write_tasks():
+ """
+ create desktop icon
+ """
+ msg = """\n\n[Tasks]\n"""
+ msg += """Name: "desktopicon";\tDescription: "{cm:CreateDesktopIcon}";\t"""
+ msg += """GroupDescription: "{cm:AdditionalIcons}";\tFlags: unchecked\n"""
+ msg += """Name: "quicklaunchicon"; Description: "{cm:CreateQuickLaunchIcon}";\t"""
+ msg += """GroupDescription: "{cm:AdditionalIcons}";\n"""
+ return msg
+
+dist_path = "dist"
+def write_file():
+ """
+ copy some data files
+ """
+ msg = "\n\n[Files]\n"
+ msg += """Source: "%s\%s";\t""" % (dist_path, str(APPLICATION))
+ msg += """DestDir: "{app}";\tFlags: ignoreversion\n"""
+ msg += """Source: "dist\*";\tDestDir: "{app}";\t"""
+ msg += """Flags: ignoreversion recursesubdirs createallsubdirs\n"""
+ msg += """Source: "dist\plugin_models\*";\tDestDir: "{userdesktop}\..\.sasview\plugin_models";\t"""
+ msg += """Flags: recursesubdirs createallsubdirs\n"""
+ msg += """Source: "dist\compiled_models\*";\tDestDir: "{userdesktop}\..\.sasmodels\compiled_models";\t"""
+ msg += """Flags: recursesubdirs createallsubdirs\n"""
+ msg += """Source: "dist\config\custom_config.py";\tDestDir: "{userdesktop}\..\.sasview\config";\t"""
+ msg += """Flags: recursesubdirs createallsubdirs\n"""
+ #msg += """Source: "dist\default_categories.json"; DestDir: "{userdesktop}\..\.sasview";\t"""
+ #msg += """DestName: "categories.json";\n"""
+ msg += """;\tNOTE: Don't use "Flags: ignoreversion" on any shared system files"""
+ return msg
+
+def write_icon():
+ """
+ Create application icon
+ """
+ msg = """\n\n[Icons]\n"""
+ msg += """Name: "{group}\%s";\t""" % str(AppName)
+ msg += """Filename: "{app}\%s";\t""" % str(APPLICATION)
+ msg += """WorkingDir: "{app}"; IconFilename: "{app}\images\\ball.ico" \n"""
+ msg += """Name: "{group}\{cm:UninstallProgram, %s}";\t""" % str(AppName)
+ msg += """ Filename: "{uninstallexe}" \n"""
+ msg += """Name: "{commondesktop}\%s";\t""" % str(AppVerName)
+ msg += """Filename: "{app}\%s";\t""" % str(APPLICATION)
+ msg += """Tasks: desktopicon; WorkingDir: "{app}" ; IconFilename: "{app}\images\\ball.ico" \n"""
+ msg += """Name: "{userappdata}\Microsoft\Internet Explorer\Quick Launch\%s";\t""" % str(AppVerName)
+ msg += """Filename: "{app}\%s";\t""" % str(APPLICATION)
+ msg += """Tasks: quicklaunchicon; WorkingDir: "{app}"; IconFilename: "{app}\images\\ball.ico" \n"""
+ return msg
+
+def write_run():
+ """
+ execute some file
+ """
+ msg = """\n\n[Run]\n"""
+ msg += """Filename: "{app}\%s";\t""" % str(APPLICATION)
+ msg += """Description: "{cm:LaunchProgram, %s}";\t""" %str(AppName)
+ msg += """Flags: nowait postinstall skipifsilent\n"""
+ msg += """; Install the Microsoft C++ DLL redistributable package if it is """
+ msg += """provided and the DLLs are not present on the target system.\n"""
+ msg += """; Note that the redistributable package is included if the app was """
+ msg += """built using Python 2.6 or 2.7, but not with 2.5.\n"""
+ msg += """; Parameter options:\n"""
+ msg += """; - for silent install use: "/q"\n"""
+ msg += """; - for silent install with progress bar use: "/qb"\n"""
+ msg += """; - for silent install with progress bar but disallow """
+ msg += """cancellation of operation use: "/qb!"\n"""
+ msg += """; Note that we do not use the postinstall flag as this would """
+ msg += """display a checkbox and thus require the user to decide what to do.\n"""
+ msg += """;Filename: "{app}\\vcredist_x86.exe"; Parameters: "/qb!"; """
+ msg += """WorkingDir: "{tmp}"; StatusMsg: "Installing Microsoft Visual """
+ msg += """C++ 2008 Redistributable Package ..."; Check: InstallVC90CRT(); """
+ msg += """Flags: skipifdoesntexist waituntilterminated\n"""
+ return msg
+
+def write_dirs():
+ """
+ Define Dir permission
+ """
+ msg = """\n\n[Dirs]\n"""
+ msg += """Name: "{app}\%s";\t""" % str('')
+ msg += """Permissions: everyone-modify\t"""
+ msg += """\n"""
+ return msg
+
+def write_code():
+ """
+ Code that checks the existing path and snaviewpath
+ in the environmental viriables/PATH
+ """
+ msg = """\n\n[Code]\n"""
+ msg += """function InstallVC90CRT(): Boolean;\n"""
+ msg += """begin\n"""
+ msg += """ Result := not DirExists('C:\WINDOWS\WinSxS\\x86_Microsoft.VC90."""
+ msg += """CRT_1fc8b3b9a1e18e3b_9.0.21022.8_x-ww_d08d0375');\n"""
+ msg += """end;\n\n"""
+ msg += """function NeedsAddPath(): boolean;\n"""
+ msg += """var\n"""
+ msg += """ oldpath: string;\n"""
+ msg += """ newpath: string;\n"""
+ msg += """ pathArr: TArrayOfString;\n"""
+ msg += """ i: Integer;\n"""
+ msg += """begin\n"""
+ msg += """ RegQueryStringValue(HKEY_CURRENT_USER,'Environment',"""
+ msg += """'PATH', oldpath)\n"""
+ msg += """ oldpath := oldpath + ';';\n"""
+ msg += """ newpath := '%SASVIEWPATH%';\n"""
+ msg += """ i := 0;\n"""
+ msg += """ while (Pos(';', oldpath) > 0) do begin\n"""
+ msg += """ SetArrayLength(pathArr, i+1);\n"""
+ msg += """ pathArr[i] := Copy(oldpath, 0, Pos(';', oldpath)-1);\n"""
+ msg += """ oldpath := Copy(oldpath, Pos(';', oldpath)+1,"""
+ msg += """ Length(oldpath));\n"""
+ msg += """ i := i + 1;\n"""
+ msg += """ // Check if current directory matches app dir\n"""
+ msg += """ if newpath = pathArr[i-1] \n"""
+ msg += """ then begin\n"""
+ msg += """ Result := False;\n"""
+ msg += """ exit;\n"""
+ msg += """ end;\n"""
+ msg += """ end;\n"""
+ msg += """ Result := True;\n"""
+ msg += """end;\n"""
+ msg += """\n"""
+ return msg
+
+def write_uninstalldelete():
+ """
+ Define uninstalldelete
+ """
+ msg = """\n[UninstallDelete]\n"""
+ msg += """; Delete directories and files that are dynamically created by """
+ msg += """the application (i.e. at runtime).\n"""
+ msg += """Type: filesandordirs; Name: "{app}\.matplotlib"\n"""
+ msg += """Type: files; Name: "{app}\*.*"\n"""
+ msg += """; The following is a workaround for the case where the """
+ msg += """application is installed and uninstalled but the\n"""
+ msg += """;{app} directory is not deleted because it has user files. """
+ msg += """Then the application is installed into the\n"""
+ msg += """; existing directory, user files are deleted, and the """
+ msg += """application is un-installed again. Without the\n"""
+ msg += """; directive below, {app} will not be deleted because Inno Setup """
+ msg += """did not create it during the previous\n"""
+ msg += """; installation.\n"""
+ msg += """Type: dirifempty; Name: "{app}"\n"""
+ msg += """\n"""
+ return msg
+
+def generate_installer():
+ """
+ """
+ TEMPLATE = "\n; Script generated by the Inno Setup Script Wizard\n"
+ TEMPLATE += "\n; and local_config.py located in this directory.\n "
+ TEMPLATE += "; SEE THE DOCUMENTATION FOR DETAILS ON CREATING INNO SETUP SCRIPT FILES!"
+ TEMPLATE += "\n[Setup]\n\n"
+ TEMPLATE += "ChangesAssociations=%s\n" %str('yes')
+ TEMPLATE += "AppName=%s\n" % str(AppName)
+ TEMPLATE += "AppVerName=%s\n" % str(AppVerName)
+ TEMPLATE += "AppPublisher=%s\n" % str(AppPublisher)
+ TEMPLATE += "AppPublisherURL=%s\n" % str(AppPublisherURL)
+ TEMPLATE += "AppSupportURL=%s\n" % str(AppSupportURL)
+ TEMPLATE += "AppUpdatesURL=%s \n" % str(AppUpdatesURL)
+ TEMPLATE += "ChangesEnvironment=%s \n" % str(ChangesEnvironment)
+ TEMPLATE += "DefaultDirName=%s\n" % str(DefaultDirName)
+ TEMPLATE += "DefaultGroupName=%s\n" % str(DefaultGroupName)
+ TEMPLATE += "DisableProgramGroupPage=%s\n" % str(DisableProgramGroupPage)
+ TEMPLATE += "LicenseFile=%s\n" % str(LicenseFile)
+ TEMPLATE += "OutputBaseFilename=%s\n" % str(OutputBaseFilename)
+ TEMPLATE += "SetupIconFile=%s\n" % str(SetupIconFile)
+ TEMPLATE += "Compression=%s\n" % str(Compression)
+ TEMPLATE += "SolidCompression=%s\n" % str(SolidCompression)
+ TEMPLATE += "PrivilegesRequired=%s\n" % str(PrivilegesRequired)
+ TEMPLATE += "UsePreviousAppDir=no\n"
+
+ TEMPLATE += write_registry(data_extension=DATA_EXTENSION,
+ app_extension=APP_EXTENSION)
+ TEMPLATE += write_language()
+ TEMPLATE += write_tasks()
+ TEMPLATE += write_file()
+ TEMPLATE += write_icon()
+ TEMPLATE += write_run()
+ TEMPLATE += write_dirs()
+ TEMPLATE += write_code()
+ TEMPLATE += write_uninstalldelete()
+ path = '%s.iss' % str(INSTALLER_FILE)
+ f = open(path,'w')
+ f.write(TEMPLATE)
+ f.close()
+ print "Generate Inno setup installer script complete"
+ print "A new file %s.iss should be created.Please refresh your directory" % str(INSTALLER_FILE)
+
+if __name__ == "__main__":
+ generate_installer()
diff --git a/sasview/license.txt b/sasview/license.txt
new file mode 100644
index 0000000..4ff5856
--- /dev/null
+++ b/sasview/license.txt
@@ -0,0 +1,21 @@
+This software was originally developed by the University of Tennessee
+as part of the Distributed Data Analysis of Neutron Scattering
+Experiments (DANSE) project funded by the US National Science Foundation
+and is currently being developed as an open source project hosted on GitHub
+and managed by a consortium of scattering facilities.
+
+Participating facilities include: the University of Tennessee, the University
+of Maryland, the European Spallation Source, the National Institute of
+Standards & Technology Center for Neutron Research, the Oak Ridge National
+Laboratory Neutron Sciences Directorate, the ISIS Neutron & Muon Source, the
+Institut Laue Langevin, the Diamond Light Source, and Delft University of
+Technology.
+
+If you use this application to do scientific research that leads to publication,
+we kindly ask that you acknowledge the use of the software with the following
+sentence:
+
+*"This work benefited from the use of the SasView application, originally
+developed under NSF award DMR-0520547."*
+
+(C) 2009-2015 UTK, UMD, ESS, NIST, ORNL, ISIS, ILL, DLS, DUT
diff --git a/sasview/local_config.py b/sasview/local_config.py
new file mode 100644
index 0000000..bc10603
--- /dev/null
+++ b/sasview/local_config.py
@@ -0,0 +1,153 @@
+"""
+ Application settings
+"""
+import time
+import os
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+import sas.sasview
+import logging
+
+# Version of the application
+__appname__ = "SasView"
+__version__ = sas.sasview.__version__
+__build__ = sas.sasview.__build__
+__download_page__ = 'https://github.com/SasView/sasview/releases'
+__update_URL__ = 'http://www.sasview.org/latestversion.json'
+
+# Debug message flag
+__EVT_DEBUG__ = False
+
+# Flag for automated testing
+__TEST__ = False
+
+# Debug message should be written to a file?
+__EVT_DEBUG_2_FILE__ = False
+__EVT_DEBUG_FILENAME__ = "debug.log"
+
+# About box info
+_do_aboutbox = True
+_do_acknowledge = True
+_do_tutorial = True
+_acknowledgement_preamble =\
+'''To ensure the long term support and development of this software please''' +\
+''' remember to:'''
+_acknowledgement_preamble_bullet1 =\
+'''Acknowledge its use in your publications as :'''
+_acknowledgement_preamble_bullet2 =\
+'''Reference SasView as:'''
+_acknowledgement_preamble_bullet3 =\
+'''Reference the model you used if appropriate (see documentation for refs)'''
+_acknowledgement_preamble_bullet4 =\
+'''Send us your reference for our records: developers at sasview.org'''
+_acknowledgement_publications = \
+'''This work benefited from the use of the SasView application, originally developed under NSF Award DMR-0520547. SasView also contains code developed with funding from the EU Horizon 2020 programme under the SINE2020 project Grant No 654000.'''
+_acknowledgement_citation = \
+'''M. Doucet et al. SasView Version 4.1.2, Zenodo, 10.5281/zenodo.825675'''
+
+_acknowledgement = \
+'''This work was originally developed as part of the DANSE project funded by the US NSF under Award DMR-0520547,\n but is currently maintained by a collaboration between UTK, UMD, NIST, ORNL, ISIS, ESS, ILL, ANSTO and TU Delft and the scattering community.\n\n SasView also contains code developed with funding from the EU Horizon 2020 programme under the SINE2020 project (Grant No 654000).\nA list of individual contributors can be found at: https://github.com/orgs/SasView/people
+'''
+
+_homepage = "http://www.sasview.org"
+_download = __download_page__
+_authors = []
+_paper = "http://sourceforge.net/p/sasview/tickets/"
+_license = "mailto:help at sasview.org"
+
+
+icon_path = os.path.abspath(os.path.join(os.path.dirname(__file__), "images"))
+logging.info("icon path: %s" % icon_path)
+media_path = os.path.abspath(os.path.join(os.path.dirname(__file__), "media"))
+test_path = os.path.abspath(os.path.join(os.path.dirname(__file__), "test"))
+
+_nist_logo = os.path.join(icon_path, "nist_logo.png")
+_umd_logo = os.path.join(icon_path, "umd_logo.png")
+_sns_logo = os.path.join(icon_path, "sns_logo.png")
+_ornl_logo = os.path.join(icon_path, "ornl_logo.png")
+_isis_logo = os.path.join(icon_path, "isis_logo.png")
+_ess_logo = os.path.join(icon_path, "ess_logo.png")
+_ill_logo = os.path.join(icon_path, "ill_logo.png")
+_ansto_logo = os.path.join(icon_path, "ansto_logo.png")
+_tudelft_logo = os.path.join(icon_path, "tudelft_logo.png")
+_nsf_logo = os.path.join(icon_path, "nsf_logo.png")
+_danse_logo = os.path.join(icon_path, "danse_logo.png")
+_inst_logo = os.path.join(icon_path, "utlogo.gif")
+_nist_url = "http://www.nist.gov/"
+_umd_url = "http://www.umd.edu/"
+_sns_url = "http://neutrons.ornl.gov/"
+_ornl_url = "http://neutrons.ornl.gov/"
+_nsf_url = "http://www.nsf.gov"
+_isis_url = "http://www.isis.stfc.ac.uk/"
+_ess_url = "http://ess-scandinavia.eu/"
+_ill_url = "http://www.ill.eu/"
+_ansto_url = "http://www.ansto.gov.au/"
+_tudelft_url = "http://www.tnw.tudelft.nl/en/cooperation/facilities/reactor-instituut-delft/"
+_danse_url = "http://www.cacr.caltech.edu/projects/danse/release/index.html"
+_inst_url = "http://www.utk.edu"
+_corner_image = os.path.join(icon_path, "angles_flat.png")
+_welcome_image = os.path.join(icon_path, "SVwelcome.png")
+_copyright = "(c) 2009 - 2017, UTK, UMD, NIST, ORNL, ISIS, ESS, ILL, ANSTO and TU Delft"
+marketplace_url = "http://marketplace.sasview.org/"
+
+#edit the list of file state your plugin can read
+APPLICATION_WLIST = 'SasView files (*.svs)|*.svs'
+APPLICATION_STATE_EXTENSION = '.svs'
+GUIFRAME_WIDTH = 1150
+GUIFRAME_HEIGHT = 840
+PLUGIN_STATE_EXTENSIONS = ['.fitv', '.inv', '.prv', '.crf']
+PLUGINS_WLIST = ['Fitting files (*.fitv)|*.fitv',
+ 'Invariant files (*.inv)|*.inv',
+ 'P(r) files (*.prv)|*.prv',
+ 'Corfunc files (*.crf)|*.crf']
+PLOPANEL_WIDTH = 415
+PLOPANEL_HEIGTH = 370
+DATAPANEL_WIDTH = 235
+DATAPANEL_HEIGHT = 700
+SPLASH_SCREEN_PATH = os.path.join(icon_path, "SVwelcome_mini.png")
+TUTORIAL_PATH = os.path.join(media_path, "Tutorial.pdf")
+DEFAULT_STYLE = GUIFRAME.MULTIPLE_APPLICATIONS|GUIFRAME.MANAGER_ON\
+ |GUIFRAME.CALCULATOR_ON|GUIFRAME.TOOLBAR_ON
+SPLASH_SCREEN_WIDTH = 512
+SPLASH_SCREEN_HEIGHT = 366
+SS_MAX_DISPLAY_TIME = 2000
+WELCOME_PANEL_ON = True
+WELCOME_PANEL_SHOW = False
+CLEANUP_PLOT = False
+# OPEN and SAVE project menu
+OPEN_SAVE_PROJECT_MENU = True
+#VIEW MENU
+VIEW_MENU = True
+#EDIT MENU
+EDIT_MENU = True
+
+SetupIconFile_win = os.path.join(icon_path, "ball.ico")
+SetupIconFile_mac = os.path.join(icon_path, "ball.icns")
+DefaultGroupName = "."
+OutputBaseFilename = "setupSasView"
+
+FIXED_PANEL = True
+DATALOADER_SHOW = True
+CLEANUP_PLOT = False
+WELCOME_PANEL_SHOW = False
+#Show or hide toolbar at the start up
+TOOLBAR_SHOW = True
+# set a default perspective
+DEFAULT_PERSPECTIVE = 'None'
+
+# Time out for updating sasview
+UPDATE_TIMEOUT = 2
+
+#OpenCL option
+SAS_OPENCL = None
+
+def printEVT(message):
+ if __EVT_DEBUG__:
+ """
+ :TODO - Need method doc string
+ """
+ print "%g: %s" % (time.clock(), message)
+
+ if __EVT_DEBUG_2_FILE__:
+ out = open(__EVT_DEBUG_FILENAME__, 'a')
+ out.write("%10g: %s\n" % (time.clock(), message))
+ out.close()
diff --git a/sasview/media/README.txt b/sasview/media/README.txt
new file mode 100644
index 0000000..a56b0ad
--- /dev/null
+++ b/sasview/media/README.txt
@@ -0,0 +1,6 @@
+This Tutorial.pdf is what appears when you click on 'Tutorial' under 'Help'
+in the menu bar.
+
+The source files are in: /sasview/docs/sasview
+
+The getting_started_with_sasview.pdf has been manually added here until the auto-generated LibreOffice doc build is up and running.
\ No newline at end of file
diff --git a/sasview/media/Tutorial.pdf b/sasview/media/Tutorial.pdf
new file mode 100644
index 0000000..0ef7362
Binary files /dev/null and b/sasview/media/Tutorial.pdf differ
diff --git a/sasview/media/getting_started_with_sasview.pdf b/sasview/media/getting_started_with_sasview.pdf
new file mode 100644
index 0000000..daad471
Binary files /dev/null and b/sasview/media/getting_started_with_sasview.pdf differ
diff --git a/sasview/sasview.py b/sasview/sasview.py
new file mode 100644
index 0000000..3588399
--- /dev/null
+++ b/sasview/sasview.py
@@ -0,0 +1,213 @@
+"""
+Base module for loading and running the main SasView application.
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+import os
+import sys
+import logging
+import traceback
+
+logging.basicConfig(level=logging.INFO,
+ format='%(asctime)s %(levelname)s %(message)s',
+ filename=os.path.join(os.path.expanduser("~"),
+ 'sasview.log'))
+logging.captureWarnings(True)
+
+class StreamToLogger(object):
+ """
+ File-like stream object that redirects writes to a logger instance.
+ """
+ def __init__(self, logger, log_level=logging.INFO):
+ self.logger = logger
+ self.log_level = log_level
+ self.linebuf = ''
+
+ def write(self, buf):
+ """
+ Main logging method
+ """
+ # Write the message to stdout so we can see it when running interactively
+ sys.stdout.write(buf)
+ for line in buf.rstrip().splitlines():
+ self.logger.log(self.log_level, line.rstrip())
+
+stderr_logger = logging.getLogger('STDERR')
+sl = StreamToLogger(stderr_logger, logging.ERROR)
+sys.stderr = sl
+
+# Log the start of the session
+logging.info(" --- SasView session started ---")
+
+# Log the python version
+logging.info("Python: %s" % sys.version)
+
+# Allow the dynamic selection of wxPython via an environment variable, when devs
+# who have multiple versions of the module installed want to pick between them.
+# This variable does not have to be set of course, and through normal usage will
+# probably not be, but this can make things a little easier when upgrading to a
+# new version of wx.
+WX_ENV_VAR = "SASVIEW_WX_VERSION"
+if WX_ENV_VAR in os.environ:
+ logging.info("You have set the %s environment variable to %s." % \
+ (WX_ENV_VAR, os.environ[WX_ENV_VAR]))
+ import wxversion
+ if wxversion.checkInstalled(os.environ[WX_ENV_VAR]):
+ logging.info("Version %s of wxPython is installed, so using that version." % os.environ[WX_ENV_VAR])
+ wxversion.select(os.environ[WX_ENV_VAR])
+ else:
+ logging.error("Version %s of wxPython is not installed, so using default version." % os.environ[WX_ENV_VAR])
+else:
+ logging.info("You have not set the %s environment variable, so using default version of wxPython." % WX_ENV_VAR)
+
+import wx
+
+try:
+ logging.info("Wx version: %s" % wx.__version__)
+except:
+ logging.error("Wx version: error reading version")
+
+import wxcruft
+wxcruft.call_later_fix()
+#wxcruft.trace_new_id()
+
+#Always use private .matplotlib setup to avoid conflicts with other
+#uses of matplotlib
+#Have to check if .sasview exists first
+sasdir = os.path.join(os.path.expanduser("~"),'.sasview')
+if not os.path.exists(sasdir):
+ os.mkdir(sasdir)
+mplconfigdir = os.path.join(os.path.expanduser("~"),'.sasview','.matplotlib')
+if not os.path.exists(mplconfigdir):
+ os.mkdir(mplconfigdir)
+os.environ['MPLCONFIGDIR'] = mplconfigdir
+reload(sys)
+sys.setdefaultencoding("iso-8859-1")
+from sas.sasgui.guiframe import gui_manager
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+from welcome_panel import WelcomePanel
+# For py2exe, import config here
+import local_config
+PLUGIN_MODEL_DIR = 'plugin_models'
+APP_NAME = 'SasView'
+
+from matplotlib import backend_bases
+backend_bases.FigureCanvasBase.filetypes.pop('pgf', None)
+
+class SasView():
+ """
+ Main class for running the SasView application
+ """
+ def __init__(self):
+ """
+ """
+ #from gui_manager import ViewApp
+ self.gui = gui_manager.SasViewApp(0)
+ # Set the application manager for the GUI
+ self.gui.set_manager(self)
+ # Add perspectives to the basic application
+ # Additional perspectives can still be loaded
+ # dynamically
+ # Note: py2exe can't find dynamically loaded
+ # modules. We load the fitting module here
+ # to ensure a complete Windows executable build.
+
+ # Fitting perspective
+ try:
+ import sas.sasgui.perspectives.fitting as module
+ fitting_plug = module.Plugin()
+ self.gui.add_perspective(fitting_plug)
+ except Exception:
+ logging.error("%s: could not find Fitting plug-in module"% APP_NAME)
+ logging.error(traceback.format_exc())
+
+ # P(r) perspective
+ try:
+ import sas.sasgui.perspectives.pr as module
+ pr_plug = module.Plugin()
+ self.gui.add_perspective(pr_plug)
+ except:
+ logging.error("%s: could not find P(r) plug-in module"% APP_NAME)
+ logging.error(traceback.format_exc())
+
+ #Invariant perspective
+ try:
+ import sas.sasgui.perspectives.invariant as module
+ invariant_plug = module.Plugin()
+ self.gui.add_perspective(invariant_plug)
+ except Exception as e :
+ logging.error("%s: could not find Invariant plug-in module"% \
+ APP_NAME)
+ logging.error(traceback.format_exc())
+
+ # Corfunc perspective
+ try:
+ import sas.sasgui.perspectives.corfunc as module
+ corfunc_plug = module.Plugin()
+ self.gui.add_perspective(corfunc_plug)
+ except:
+ logging.error("Unable to load corfunc module")
+
+ #Calculator perspective
+ try:
+ import sas.sasgui.perspectives.calculator as module
+ calculator_plug = module.Plugin()
+ self.gui.add_perspective(calculator_plug)
+ except:
+ logging.error("%s: could not find Calculator plug-in module"% \
+ APP_NAME)
+ logging.error(traceback.format_exc())
+
+ # File converter tool
+ try:
+ import sas.sasgui.perspectives.file_converter as module
+ converter_plug = module.Plugin()
+ self.gui.add_perspective(converter_plug)
+ except:
+ logging.error("%s: could not find File Converter plug-in module"% \
+ APP_NAME)
+ logging.error(traceback.format_exc())
+
+
+ # Add welcome page
+ self.gui.set_welcome_panel(WelcomePanel)
+
+ # Build the GUI
+ self.gui.build_gui()
+ # delete unused model folder
+ self.gui.clean_plugin_models(PLUGIN_MODEL_DIR)
+ # Start the main loop
+ self.gui.MainLoop()
+
+
+def run():
+ """
+ __main__ method for loading and running SasView
+ """
+ from multiprocessing import freeze_support
+ freeze_support()
+ if len(sys.argv) > 1:
+ ## Run sasview as an interactive python interpreter
+ #if sys.argv[1] == "-i":
+ # sys.argv = ["ipython", "--pylab"]
+ # from IPython import start_ipython
+ # sys.exit(start_ipython())
+ thing_to_run = sys.argv[1]
+ sys.argv = sys.argv[1:]
+ import runpy
+ if os.path.exists(thing_to_run):
+ runpy.run_path(thing_to_run, run_name="__main__")
+ else:
+ runpy.run_module(thing_to_run, run_name="__main__")
+ else:
+ SasView()
+
+if __name__ == "__main__":
+ run()
diff --git a/sasview/sasview.spec b/sasview/sasview.spec
new file mode 100755
index 0000000..bed2001
--- /dev/null
+++ b/sasview/sasview.spec
@@ -0,0 +1,183 @@
+# -*- mode: python -*-
+# Modifiable location
+import sys
+import os
+import platform
+
+import warnings
+from distutils.filelist import findall
+
+PYTHON_LOC = sys.exec_prefix
+# Portability settings
+if os.name == 'posix':
+ LIBPREFIX='lib'
+ LIBSUFFIX='so'
+ LIBLOC = os.path.join(PYTHON_LOC,'lib')
+ # Darwin needs UPX=False, Linux actually builds with both...
+ if platform.system() == 'Darwin':
+ UPX=False
+ else:
+ UPX=True
+else:
+ LIBPREFIX=''
+ LIBSUFFIX='dll'
+ LIBLOC = os.path.join(PYTHON_LOC,'Library','bin')
+ UPX=True
+
+SCRIPT_TO_SOURCE = 'sasview.py'
+
+# Warning! pyinstaller/py2exe etc. don't have the __file__ attribute
+# WORK_DIR = os.path.dirname(os.path.realpath(__file__))
+WORK_DIR = os.path.dirname(os.path.realpath(sys.argv[0]))
+
+#### LOCAL METHODS
+def add_data(data):
+ for component in data:
+ target = component[0]
+ for filename in component[1]:
+ datas.append((filename, target))
+
+def add_binary(binary):
+ return (os.path.join(LIBLOC,binary),'.')
+
+# ADDITIONAL DATA ############################################################
+datas = [('images', 'images')]
+
+datas.append(('media','media'))
+datas.append(('test','test'))
+datas.append(('custom_config.py','.'))
+datas.append(('local_config.py','.'))
+datas.append(('wxcruft.py','.'))
+datas.append(('welcome_panel.py','.'))
+
+# TODO
+# NEED BETTER WAY TO DEAL WITH THESE RELATIVE PATHS
+datas.append((os.path.join('..','..','sasmodels','sasmodels'),'sasmodels'))
+datas.append((os.path.join('..','src','sas','sasgui','perspectives','fitting','plugin_models'),'plugin_models'))
+
+# precompile sas models into the sasview build path; doesn't matter too much
+# where it is so long as it is a place that will get cleaned up afterwards.
+import sasmodels.core
+dll_path = 'compiled_models'
+if not (os.path.exists(dll_path)):
+ os.mkdir(dll_path)
+dll_path2 = os.path.join(dll_path, dll_path)
+if not (os.path.exists(dll_path2)):
+ os.mkdir(dll_path2)
+
+compiled_dlls = sasmodels.core.precompile_dlls(dll_path, dtype='double')
+
+# include the compiled models as data; coordinate the target path for the
+# data with installer_generator.py
+datas.append((os.path.join('compiled_models','compiled_models'),'compiled_models'))
+
+# These depend on whether we have MKL or Atlas numpy
+if os.path.exists(os.path.join(LIBLOC, LIBPREFIX + 'mkl_core.' + LIBSUFFIX)):
+ datas.append(add_binary(LIBPREFIX + 'mkl_avx2.' + LIBSUFFIX))
+ datas.append(add_binary(LIBPREFIX + 'mkl_def.' + LIBSUFFIX))
+elif os.path.exists(os.path.join(LIBLOC, LIBPREFIX + 'numpy-atlas.' + LIBSUFFIX)):
+ datas.append(add_binary(LIBPREFIX + 'numpy-atlas.' + LIBSUFFIX))
+else:
+ raise Exception("No numerical library for numpy found.")
+
+import sas.sascalc.dataloader.readers
+f = os.path.join(sas.sascalc.dataloader.readers.get_data_path(), 'defaults.json')
+datas.append((f, '.'))
+
+# Add a custom pyopencl hook, as described in
+# https://github.com/pyinstaller/pyinstaller/issues/2130
+from PyInstaller.utils.hooks import copy_metadata
+datas.append(copy_metadata('pyopencl')[0])
+
+import sasmodels
+add_data(sasmodels.data_files())
+
+try:
+ import tinycc
+ add_data(tinycc.data_files())
+except ImportError:
+ warnings.warn("TinyCC package is not available and will not be included")
+
+import periodictable
+add_data(periodictable.data_files())
+
+import matplotlib
+matplotlibdatadir = matplotlib.get_data_path()
+matplotlibdata = findall(matplotlibdatadir)
+for f in matplotlibdata:
+ dirname = os.path.join('mpl-data', f[len(matplotlibdatadir)+1:])
+ datas.append((f, os.path.split(dirname)[0]))
+
+binaries = []
+
+# EXCLUDED FILES ############################################################
+# Spelled out to enable easier editing
+excludes = []
+excludes.append('libzmq')
+excludes.append('IPython')
+excludes.append('PyQt4')
+excludes.append('PySide')
+excludes.append('Qt4')
+excludes.append('Tkinter')
+excludes.append('tk')
+excludes.append('tcl')
+# Seems we cannot build on Linux without bundling sip
+if not platform.system() == 'Linux':
+ excludes.append('sip')
+excludes.append('sympy')
+excludes.append('pytz')
+excludes.append('sklearn')
+excludes.append('zmq')
+
+# Need to explicitly exclude sasmodels here!!
+excludes.append('sasmodels')
+
+# HIDDEN MODULES ############################################################
+hiddenimports = [
+ 'periodictable.core',
+ 'sasmodels.core',
+ 'pyopencl',
+ 'tinycc',
+ 'xhtml2pdf'
+]
+
+a = Analysis([SCRIPT_TO_SOURCE],
+ pathex=[WORK_DIR],
+ binaries=binaries,
+ datas=datas,
+ hiddenimports=hiddenimports,
+ hookspath=[],
+ runtime_hooks=[],
+ excludes=excludes,
+ win_no_prefer_redirects=False,
+ win_private_assemblies=False,
+ cipher=None)
+
+pyz = PYZ(a.pure, a.zipped_data,
+ cipher=None)
+
+exe = EXE(pyz,
+ a.scripts,
+ exclude_binaries=True,
+ name='sasview',
+ debug=False,
+ upx=UPX,
+ icon=os.path.join("images","ball.ico"),
+ version="version.txt",
+ console=False )
+
+# COLLECT creates a directory instead of a single file.
+coll = COLLECT(exe,
+ a.binaries,
+ a.zipfiles,
+ a.datas,
+ strip=False,
+ upx=UPX,
+ name='sasview')
+
+if platform.system() == 'Darwin':
+ app = BUNDLE(exe,
+ name='SasView.app',
+ icon='images/ball.ico',
+ bundle_identifier=None)
+
diff --git a/sasview/setup.cfg b/sasview/setup.cfg
new file mode 100644
index 0000000..8f9a4bf
--- /dev/null
+++ b/sasview/setup.cfg
@@ -0,0 +1,2 @@
+[py2app]
+argv-emulation=1
\ No newline at end of file
diff --git a/sasview/setup_exe.py b/sasview/setup_exe.py
new file mode 100644
index 0000000..4b2f4d9
--- /dev/null
+++ b/sasview/setup_exe.py
@@ -0,0 +1,398 @@
+#!/usr/bin/env python
+
+#
+# The setup to create a Windows executable.
+# Inno Setup can then be used with the installer.iss file
+# in the top source directory to create an installer.
+#
+# Setuptools clashes with py2exe 0.6.8 (and probably later too).
+# For that reason, most of the code needs to have direct imports
+# that are not going through pkg_resources.
+#
+# Attention should be paid to dynamic imports. Data files can
+# be added to the distribution directory for that purpose.
+# See for example the 'images' directory below.
+
+import os
+import sys
+import warnings
+from glob import glob
+import shutil
+
+from distutils.util import get_platform
+from distutils.core import setup
+from distutils.filelist import findall
+from distutils.sysconfig import get_python_lib
+import py2exe
+
+#from idlelib.PyShell import warning_stream
+
+# put the build directory at the front of the path
+if os.path.abspath(os.path.dirname(__file__)) != os.path.abspath(os.getcwd()):
+ raise RuntimeError("Must run setup_exe from the sasview directory")
+root = os.path.dirname(os.path.dirname(os.path.abspath(__file__)))
+platform = '%s-%s'%(get_platform(), sys.version[:3])
+build_path = os.path.join(root, 'build', 'lib.'+platform)
+#build_path = os.path.join(root, 'sasview-install', 'Lib', 'site-packages')
+sys.path.insert(0, build_path)
+
+import local_config
+from installer_generator import generate_installer
+
+import matplotlib
+try:
+ import tinycc
+except ImportError:
+ warnings.warn("TinyCC package is not available and will not be included")
+ tinycc = None
+
+if len(sys.argv) == 1:
+ sys.argv.append('py2exe')
+
+# When using the SasView build script, we need to be able to pass
+# an extra path to be added to the python path. The extra arguments
+# should be removed from the list so that the setup processing doesn't
+# fail.
+try:
+ if sys.argv.count('--extrapath'):
+ path_flag_idx = sys.argv.index('--extrapath')
+ extra_path = sys.argv[path_flag_idx+1]
+ sys.path.insert(0, extra_path)
+ del sys.argv[path_flag_idx+1]
+ sys.argv.remove('--extrapath')
+except:
+ print "Error processing extra python path needed to build SasView\n %s" % \
+ sys.exc_value
+
+
+# Solution taken from here: http://www.py2exe.org/index.cgi/win32com.shell
+# ModuleFinder can't handle runtime changes to __path__, but win32com uses them
+win32_folder = "win32comext"
+try:
+ # py2exe 0.6.4 introduced a replacement modulefinder.
+ # This means we have to add package paths there, not to the built-in
+ # one. If this new modulefinder gets integrated into Python, then
+ # we might be able to revert this some day.
+ # if this doesn't work, try import modulefinder
+ try:
+ import py2exe.mf as modulefinder
+ except ImportError:
+ import modulefinder
+ import win32com
+ for p in win32com.__path__[1:]:
+ modulefinder.AddPackagePath(win32_folder, p)
+ for extra in ["win32com.shell", "win32com.adsi", "win32com.axcontrol",
+ "win32com.axscript", "win32com.bits", "win32com.ifilter",
+ "win32com.internet", "win32com.mapi", "win32com.propsys",
+ "win32com.taskscheduler"]:
+
+ __import__(extra)
+ m = sys.modules[extra]
+ for p in m.__path__[1:]:
+ modulefinder.AddPackagePath(extra, p)
+
+except ImportError:
+ # no build path setup, no worries.
+ pass
+
+# Remove the build folder
+shutil.rmtree("build", ignore_errors=True)
+# do the same for dist folder
+shutil.rmtree("dist", ignore_errors=True)
+
+is_64bits = sys.maxsize > 2**32
+arch = "amd64" if is_64bits else "x86"
+manifest = """
+ <?xml version="1.0" encoding="UTF-8" standalone="yes"?>
+ <assembly xmlns="urn:schemas-microsoft-com:asm.v1" manifestVersion="1.0">
+ <assemblyIdentity
+ version="5.0.0.0"
+ processorArchitecture="%(arch)s"
+ name="SasView"
+ type="win32">
+ </assemblyIdentity>
+ <description>SasView</description>
+ <trustInfo xmlns="urn:schemas-microsoft-com:asm.v3">
+ <security>
+ <requestedPrivileges>
+ <requestedExecutionLevel
+ level="asInvoker"
+ uiAccess="false">
+ </requestedExecutionLevel>
+ </requestedPrivileges>
+ </security>
+ </trustInfo>
+ <dependency>
+ <dependentAssembly>
+ <assemblyIdentity
+ type="win32"
+ name="Microsoft.VC90.CRT"
+ version="9.0.21022.8"
+ processorArchitecture="%(arch)s"
+ publicKeyToken="1fc8b3b9a1e18e3b">
+ </assemblyIdentity>
+ </dependentAssembly>
+ </dependency>
+ <dependency>
+ <dependentAssembly>
+ <assemblyIdentity
+ type="win32"
+ name="Microsoft.Windows.Common-Controls"
+ version="6.0.0.0"
+ processorArchitecture="%(arch)s"
+ publicKeyToken="6595b64144ccf1df"
+ language="*">
+ </assemblyIdentity>
+ </dependentAssembly>
+ </dependency>
+ </assembly>
+ """%{'arch': arch}
+
+if is_64bits:
+ msvcrtdll = glob(r"C:\Program Files\Microsoft Visual Studio 9.0\VC\redist\x86\Microsoft.VC90.CRT\*.*")
+else:
+ msvcrtdll = glob(r"C:\Program Files (x86)\Microsoft Visual Studio 9.0\VC\redist\x86\Microsoft.VC90.CRT\*.*")
+if msvcrtdll:
+ msvcrtdll_data_files = ("Microsoft.VC90.CRT", msvcrtdll)
+else:
+ msvcrtdll_data_files = None
+
+
+class Target:
+ def __init__(self, **kw):
+ self.__dict__.update(kw)
+ # for the versioninfo resources
+ self.version = local_config.__version__
+ self.company_name = "SasView.org"
+ self.copyright = "copyright 2009 - 2016"
+ self.name = "SasView"
+
+#
+# Adapted from http://www.py2exe.org/index.cgi/MatPlotLib
+# to use the MatPlotLib.
+#
+path = os.getcwd()
+
+media_dir = os.path.join(path, "media")
+images_dir = os.path.join(path, "images")
+test_dir = os.path.join(path, "test")
+test_1d_dir = os.path.join(path, "test\\1d_data")
+test_2d_dir = os.path.join(path, "test\\2d_data")
+test_sesans_dir = os.path.join(path, "test\\sesans_data")
+test_convertible_dir = os.path.join(path, "test\\convertible_files")
+test_save_dir = os.path.join(path, "test\\save_states")
+test_coord_dir = os.path.join(path, "test\\coordinate_data")
+test_image_dir = os.path.join(path, "test\\image_data")
+test_other_dir = os.path.join(path, "test\\other_files")
+
+matplotlibdatadir = matplotlib.get_data_path()
+matplotlibdata = findall(matplotlibdatadir)
+
+site_loc = get_python_lib()
+opencl_include_dir = os.path.join(site_loc, "pyopencl", "cl")
+
+data_files = []
+
+if tinycc:
+ data_files += tinycc.data_files()
+
+# Copying SLD data
+import periodictable
+data_files += periodictable.data_files()
+
+import sas.sasgui.perspectives.fitting as fitting
+data_files += fitting.data_files()
+
+import sas.sasgui.perspectives.calculator as calculator
+data_files += calculator.data_files()
+
+import sas.sasgui.perspectives.invariant as invariant
+data_files += invariant.data_files()
+
+import sas.sasgui.guiframe as guiframe
+data_files += guiframe.data_files()
+
+# precompile sas models into the sasview build path; doesn't matter too much
+# where it is so long as it is a place that will get cleaned up afterwards.
+import sasmodels.core
+dll_path = os.path.join(build_path, 'compiled_models')
+compiled_dlls = sasmodels.core.precompile_dlls(dll_path, dtype='double')
+
+# include the compiled models as data; coordinate the target path for the
+# data with installer_generator.py
+data_files.append(('compiled_models', compiled_dlls))
+
+import sasmodels
+data_files += sasmodels.data_files()
+
+for f in matplotlibdata:
+ dirname = os.path.join('mpl-data', f[len(matplotlibdatadir)+1:])
+ data_files.append((os.path.split(dirname)[0], [f]))
+
+# Copy the settings file for the sas.dataloader file extension associations
+import sas.sascalc.dataloader.readers
+f = os.path.join(sas.sascalc.dataloader.readers.get_data_path(), 'defaults.json')
+if os.path.isfile(f):
+ data_files.append(('.', [f]))
+f = 'custom_config.py'
+if os.path.isfile(f):
+ data_files.append(('.', [f]))
+ data_files.append(('config', [f]))
+f = 'local_config.py'
+if os.path.isfile(f):
+ data_files.append(('.', [f]))
+
+#f = 'default_categories.json'
+#if os.path.isfile(f):
+# data_files.append(('.', [f]))
+
+# numerical libraries
+def dll_check(dll_path, dlls):
+ dll_includes = [os.path.join(dll_path, dll+'.dll') for dll in dlls]
+ return [dll for dll in dll_includes if os.path.exists(dll)]
+
+python_root = os.path.dirname(os.path.abspath(sys.executable))
+# Check for ATLAS
+dll_path = os.path.join(python_root, 'lib', 'site-packages', 'numpy', 'core')
+dlls = ['numpy-atlas']
+atlas_dlls = dll_check(dll_path, dlls)
+
+# Check for MKL
+dll_path = os.path.join(python_root, 'Library', 'bin')
+dlls = ['mkl_core', 'mkl_def', 'libiomp5md']
+mkl_dlls = dll_check(dll_path, dlls)
+
+if atlas_dlls:
+ data_files.append(('.', atlas_dlls))
+elif mkl_dlls:
+ data_files.append(('.', mkl_dlls))
+
+if os.path.isfile("BUILD_NUMBER"):
+ data_files.append(('.', ["BUILD_NUMBER"]))
+
+# Copying the images directory to the distribution directory.
+for f in findall(images_dir):
+ data_files.append(("images", [f]))
+
+# Copying the HTML help docs
+for f in findall(media_dir):
+ data_files.append(("media", [f]))
+
+# Copying the sample data user data
+for f in findall(test_1d_dir):
+ data_files.append(("test\\1d_data", [f]))
+for f in findall(test_2d_dir):
+ data_files.append(("test\\2d_data", [f]))
+for f in findall(test_save_dir):
+ data_files.append(("test\\save_states", [f]))
+for f in findall(test_sesans_dir):
+ data_files.append(("test\\sesans_data", [f]))
+for f in findall(test_convertible_dir):
+ data_files.append(("test\\convertible_files", [f]))
+for f in findall(test_coord_dir):
+ data_files.append(("test\\coordinate_data", [f]))
+for f in findall(test_image_dir):
+ data_files.append(("test\\image_data", [f]))
+for f in findall(test_other_dir):
+ data_files.append(("test\\other_files", [f]))
+
+# Copying opencl include files
+for f in findall(opencl_include_dir):
+ data_files.append(("includes\\pyopencl",[f]))
+
+# See if the documentation has been built, and if so include it.
+doc_path = os.path.join(build_path, "doc")
+if os.path.exists(doc_path):
+ for dirpath, dirnames, filenames in os.walk(doc_path):
+ for filename in filenames:
+ sub_dir = os.path.join("doc", os.path.relpath(dirpath, doc_path))
+ data_files.append((sub_dir, [os.path.join(dirpath, filename)]))
+else:
+ raise Exception("You must first build the documentation before creating an installer.")
+
+if msvcrtdll_data_files is not None:
+ # install the MSVC 9 runtime dll's into the application folder
+ data_files.append(msvcrtdll_data_files)
+
+# NOTE:
+# need an empty __init__.py in site-packages/numpy/distutils/tests and site-packages/mpl_toolkits
+
+# packages
+#
+packages = [
+ 'matplotlib', 'scipy', 'encodings', 'comtypes', 'h5py',
+ 'win32com', 'xhtml2pdf', 'bumps','sasmodels', 'sas',
+ ]
+packages.extend([
+ 'reportlab',
+ 'reportlab.graphics.charts',
+ 'reportlab.graphics.samples',
+ 'reportlab.graphics.widgets',
+ 'reportlab.graphics.barcode',
+ 'reportlab.graphics',
+ 'reportlab.lib',
+ 'reportlab.pdfbase',
+ 'reportlab.pdfgen',
+ 'reportlab.platypus',
+ ])
+packages.append('periodictable.core') # not found automatically
+#packages.append('IPython')
+includes = ['site', 'lxml._elementpath', 'lxml.etree']
+
+if tinycc:
+ packages.append('tinycc')
+
+# Exclude packages that are not needed but are often found on build systems
+excludes = ['Tkinter', 'PyQt4', '_tkagg', 'sip', 'pytz', 'sympy']
+
+
+dll_excludes = [
+ # Various matplotlib backends we are not using
+ 'libgdk_pixbuf-2.0-0.dll', 'libgobject-2.0-0.dll', 'libgdk-win32-2.0-0.dll',
+ 'tcl84.dll', 'tk84.dll', 'QtGui4.dll', 'QtCore4.dll',
+ # numpy 1.8 openmp bindings (still seems to use all the cores without them)
+ #'libiomp5md.dll', 'libifcoremd.dll', 'libmmd.dll', 'svml_dispmd.dll','libifportMD.dll',
+ 'numpy-atlas.dll',
+ # microsoft C runtime (not allowed to ship with the app; need to ship vcredist
+ 'msvcp90.dll',
+ # 32-bit windows console piping
+ 'w9xpopen.exe',
+ # accidental links to msys/cygwin binaries; shouldn't be needed
+ 'cygwin1.dll',
+ # no need to distribute OpenCL.dll - users should have their own copy
+ 'OpenCL.dll'
+ ]
+
+target_wx_client = Target(
+ description = 'SasView',
+ script = 'sasview.py',
+ icon_resources = [(1, os.path.join(images_dir, "ball.ico"))],
+ other_resources = [(24, 1, manifest)],
+ dest_base = "SasView"
+ )
+
+# bundle_option = 2
+bundle_option = 3
+if is_64bits:
+ bundle_option = 3
+generate_installer()
+#initialize category stuff
+#from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller
+#CategoryInstaller.check_install(s)
+
+setup(
+ windows=[target_wx_client],
+ console=[],
+ options={
+ 'py2exe': {
+ 'dll_excludes': dll_excludes,
+ 'packages': packages,
+ 'includes': includes,
+ 'excludes': excludes,
+ "compressed": 1,
+ "optimize": 0,
+ "bundle_files": bundle_option,
+ },
+ },
+ data_files=data_files,
+)
diff --git a/sasview/setup_mac.py b/sasview/setup_mac.py
new file mode 100644
index 0000000..2edf589
--- /dev/null
+++ b/sasview/setup_mac.py
@@ -0,0 +1,158 @@
+"""
+This is a setup.py script partly generated by py2applet
+
+Usage:
+ python setup.py py2app
+
+
+NOTES:
+ 12/01/2011: When seeing an error related to pytz.zoneinfo not being found, change the following line in py2app/recipes/matplotlib.py
+ mf.import_hook('pytz.tzinfo', m, ['UTC'])
+ 12/05/2011: Needs macholib >= 1.4.3 and py2app >= 0.6.4 to create a 64-bit app
+"""
+from setuptools import setup
+import periodictable.xsf
+import sas.sascalc.dataloader.readers
+import os
+import string
+import local_config
+import pytz
+import sys
+import platform
+#Extending recursion limit
+sys.setrecursionlimit(10000)
+
+from distutils.util import get_platform
+root = os.path.dirname(os.path.dirname(os.path.abspath(__file__)))
+platform = '%s-%s'%(get_platform(),sys.version[:3])
+build_path = os.path.join(root, 'build','lib.'+platform)
+sys.path.insert(0, build_path)
+print "BUILDING PATH INSIDE", build_path
+ICON = local_config.SetupIconFile_mac
+EXTENSIONS_LIST = []
+DATA_FILES = []
+RESOURCES_FILES = []
+
+#Periodictable data file
+DATA_FILES = periodictable.data_files()
+#invariant and calculator help doc
+import sas.sasgui.perspectives.fitting as fitting
+DATA_FILES += fitting.data_files()
+import sas.sasgui.perspectives.calculator as calculator
+DATA_FILES += calculator.data_files()
+import sas.sasgui.perspectives.invariant as invariant
+DATA_FILES += invariant.data_files()
+import sasmodels as models
+DATA_FILES += models.data_files()
+import sas.sasgui.guiframe as guiframe
+DATA_FILES += guiframe.data_files()
+
+#CANSAxml reader data files
+RESOURCES_FILES.append(os.path.join(sas.sascalc.dataloader.readers.get_data_path(),'defaults.json'))
+
+# Locate libxml2 library
+lib_locs = ['/usr/local/lib', '/usr/lib']
+libxml_path = None
+for item in lib_locs:
+ libxml_path_test = '%s/libxml2.2.dylib' % item
+ if os.path.isfile(libxml_path_test):
+ libxml_path = libxml_path_test
+if libxml_path == None:
+ raise RuntimeError, "Could not find libxml2 on the system"
+
+APP = ['sasview.py']
+DATA_FILES += ['images','test','media', 'custom_config.py', 'local_config.py']
+if os.path.isfile("BUILD_NUMBER"):
+ DATA_FILES.append("BUILD_NUMBER")
+
+# See if the documentation has been built, and if so include it.
+doc_path = os.path.join(build_path, "doc")
+print doc_path
+if os.path.exists(doc_path):
+ for dirpath, dirnames, filenames in os.walk(doc_path):
+ for filename in filenames:
+ sub_dir = os.path.join("doc", os.path.relpath(dirpath, doc_path))
+ DATA_FILES.append((sub_dir, [os.path.join(dirpath, filename)]))
+else:
+ raise Exception("You must first build the documentation before creating an installer.")
+
+# locate file extensions
+def find_extension():
+ """
+ Describe the extensions that can be read by the current application
+ """
+ try:
+ list = []
+ EXCEPTION_LIST = ['*', '.', '']
+ from sas.sascalc.dataloader.loader import Loader
+ wild_cards = Loader().get_wildcards()
+ for item in wild_cards:
+ #['All (*.*)|*.*']
+ file_type, ext = string.split(item, "|*.", 1)
+ if ext.strip() not in EXCEPTION_LIST and ext.strip() not in list:
+ list.append(ext)
+ except:
+ pass
+ try:
+ file_type, ext = string.split(local_config.APPLICATION_WLIST, "|*.", 1)
+ if ext.strip() not in EXCEPTION_LIST and ext.strip() not in list:
+ list.append(ext)
+ except:
+ pass
+ try:
+ for item in local_config.PLUGINS_WLIST:
+ file_type, ext = string.split(item, "|*.", 1)
+ if ext.strip() not in EXCEPTION_LIST and ext.strip() not in list:
+ list.append(ext)
+ except:
+ pass
+
+ return list
+
+EXTENSIONS_LIST = find_extension()
+
+
+plist = dict(CFBundleDocumentTypes=[dict(CFBundleTypeExtensions=EXTENSIONS_LIST,
+ CFBundleTypeIconFile=ICON,
+ CFBundleTypeName="sasview file",
+ CFBundleTypeRole="Shell" )],)
+
+#Get version - NB nasty hack. Need to find correct way to give path to installed sasview (AJJ)
+#h5py has been added to packages. It requires hdf5 to be installed separetly
+#
+import __init__ as sasviewver
+
+VERSION = sasviewver.__version__
+APPNAME = "SasView "+VERSION
+DMGNAME = "SasView-"+VERSION+"-MacOSX"
+
+APP = ['sasview.py']
+DATA_FILES += ['images','test','media']
+
+EXCLUDES = ['PyQt4', 'sip', 'QtGui']
+
+OPTIONS = {'argv_emulation': True,
+ 'packages': ['lxml','numpy', 'scipy', 'pytz', 'encodings',
+ 'encodings','matplotlib', 'periodictable',
+ 'reportlab','sasmodels',"pyopencl", "h5py"
+ ],
+ 'iconfile': ICON,
+ 'frameworks':[libxml_path],
+ 'resources': RESOURCES_FILES,
+ 'plist':plist,
+ 'excludes' : EXCLUDES,
+ }
+setup(
+ name=APPNAME,
+ app=APP,
+ data_files=DATA_FILES,
+ include_package_data= True,
+ options={'py2app': OPTIONS},
+ setup_requires=['py2app'],
+)
+
+#Build dmg
+DMG="dist/%s.dmg"%DMGNAME
+if os.path.exists(DMG): os.unlink(DMG)
+os.system('cd dist && ../../build_tools/dmgpack.sh "%s" "%s.app"'%(DMGNAME,APPNAME))
+os.system('chmod a+r "%s"'%DMG)
diff --git a/sasview/test/1d_data/ testdata_line1.txt b/sasview/test/1d_data/ testdata_line1.txt
new file mode 100644
index 0000000..bbdc852
--- /dev/null
+++ b/sasview/test/1d_data/ testdata_line1.txt
@@ -0,0 +1,47 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0 2.83954 0.6
+0.204082 3.44938 0.6
+0.408163 5.82026 0.7
+0.612245 5.27591 0.8
+0.816327 5.2781 0.906122
+1.02041 5.22531 0.982653
+1.22449 7.47487 1
+1.42857 7.85852 1.13571
+1.63265 10.2278 1.21224
+1.83673 8.33195 1.28878
+2.04082 9.22407 1.36
+2.2449 7.95013 1.44184
+2.44898 10.0289 1.51837
+2.65306 11.0736 1.5949
+2.85714 12.2957 1.67143
+3.06122 12.3108 1.74796
+3.26531 12.6916 1.82449
+3.46939 12.5859 1.90102
+3.67347 14.5972 1.97755
+
+5.30612 21.4745 2.5898
+5.5102 20.0393 2.66633
+5.71429 13.2472 2.74286
+5.91837 14.9428 2.81939
+6.12245 22.1974 2.89592
+6.32653 17.3418 2.97245
+6.53061 19 3.04898
+6.73469 17.6186 3.12551
+6.93878 21 3.20204
+7.14286 20.2873 3.27857
+7.34694 23.4112 3.3551
+7.55102 26.063 3.43163
+7.7551 29.8775 3.50816
+7.95918 19.0027 3.58469
+8.16327 19.4248 3.66122
+8.36735 27.4876 3.73776
+8.57143 33.8399 3.81429
+8.77551 24.2611 3.89082
+8.97959 29.8796 3.96735
+9.18367 24.6149 4.04388
+9.38776 35.7664 4.12041
+9.59184 32.145 4.19694
+9.79592 24.8085 4.27347
+
diff --git a/sasview/test/1d_data/1000A_sphere_dsm.xml b/sasview/test/1d_data/1000A_sphere_dsm.xml
new file mode 100644
index 0000000..18dd057
--- /dev/null
+++ b/sasview/test/1d_data/1000A_sphere_dsm.xml
@@ -0,0 +1,630 @@
+<?xml version="1.0"?>
+<SASroot xmlns="cansas1d/1.0" version="1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry>
+ <Title>1000A Sphere Desmeared Simulated USANS Data</Title>
+ <Run>Test</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">3.0525e-05</Q>
+ <I unit="1/cm">1.651e+08</I>
+ <Idev unit="1/cm">1.7944e+06</Idev>
+ <Qdev unit="1/A">3.0525e-07</Qdev>
+ <Qmean unit="1/A">3.0525e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">3.33e-05</Q>
+ <I unit="1/cm">1.9045e+08</I>
+ <Idev unit="1/cm">2.04e+06</Idev>
+ <Qdev unit="1/A">3.33e-07</Qdev>
+ <Qmean unit="1/A">3.33e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">3.885e-05</Q>
+ <I unit="1/cm">1.7972e+08</I>
+ <Idev unit="1/cm">9.7531e+05</Idev>
+ <Qdev unit="1/A">3.885e-07</Qdev>
+ <Qmean unit="1/A">3.885e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">4.44e-05</Q>
+ <I unit="1/cm">1.6498e+08</I>
+ <Idev unit="1/cm">9.0878e+05</Idev>
+ <Qdev unit="1/A">4.44e-07</Qdev>
+ <Qmean unit="1/A">4.44e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">4.995e-05</Q>
+ <I unit="1/cm">1.6398e+08</I>
+ <Idev unit="1/cm">9.0732e+05</Idev>
+ <Qdev unit="1/A">4.995e-07</Qdev>
+ <Qmean unit="1/A">4.995e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">5.55e-05</Q>
+ <I unit="1/cm">1.5635e+08</I>
+ <Idev unit="1/cm">8.7248e+05</Idev>
+ <Qdev unit="1/A">5.55e-07</Qdev>
+ <Qmean unit="1/A">5.55e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">6.105e-05</Q>
+ <I unit="1/cm">1.7244e+08</I>
+ <Idev unit="1/cm">9.556e+06</Idev>
+ <Qdev unit="1/A">6.105e-07</Qdev>
+ <Qmean unit="1/A">6.105e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">6.66e-05</Q>
+ <I unit="1/cm">1.5868e+08</I>
+ <Idev unit="1/cm">8.9419e+05</Idev>
+ <Qdev unit="1/A">6.66e-07</Qdev>
+ <Qmean unit="1/A">6.66e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">7.215e-05</Q>
+ <I unit="1/cm">1.6826e+08</I>
+ <Idev unit="1/cm">9.4863e+05</Idev>
+ <Qdev unit="1/A">7.215e-07</Qdev>
+ <Qmean unit="1/A">7.215e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">7.77e-05</Q>
+ <I unit="1/cm">1.4724e+08</I>
+ <Idev unit="1/cm">8.5012e+05</Idev>
+ <Qdev unit="1/A">7.77e-07</Qdev>
+ <Qmean unit="1/A">7.77e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">8.325e-05</Q>
+ <I unit="1/cm">1.5471e+08</I>
+ <Idev unit="1/cm">8.9261e+05</Idev>
+ <Qdev unit="1/A">8.325e-07</Qdev>
+ <Qmean unit="1/A">8.325e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">8.88e-05</Q>
+ <I unit="1/cm">1.5415e+08</I>
+ <Idev unit="1/cm">8.9753e+05</Idev>
+ <Qdev unit="1/A">8.88e-07</Qdev>
+ <Qmean unit="1/A">8.88e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">9.435e-05</Q>
+ <I unit="1/cm">1.5006e+08</I>
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+ <Qdev unit="1/A">9.435e-07</Qdev>
+ <Qmean unit="1/A">9.435e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <Qmean unit="1/A">9.99e-05</Qmean>
+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <Shadowfactor>1</Shadowfactor>
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+ <Shadowfactor>1</Shadowfactor>
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+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <I unit="1/cm">8.8127e+07</I>
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+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <Q unit="1/A">0.0001887</Q>
+ <I unit="1/cm">8.2576e+07</I>
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+ <Qdev unit="1/A">1.887e-06</Qdev>
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+ <Shadowfactor>1</Shadowfactor>
+ </Idata>
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+ <I unit="1/cm">7.7312e+07</I>
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+ <ID/>
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+ <SASinstrument>
+ <name>BT5 USANS</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>BT5 DETECTOR ARRAY</name>
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+ <SASprocess name="NIST IGOR">
+ <SASprocessnote>Macintosh HD:Users:ajj:Documents:Work:Devel:DANSE:test data:simulated:SIMUL_1000A_sphere_dsm.txt
+Chi^2 = 0.998099 PowerLaw m = -4.09 Iterations = 17
+0 box smooth passes and 0 smoothing spline passes
+CREATED: Wed, May 26, 2010 at 2:43:15 PM
+</SASprocessnote>
+ </SASprocess>
+ <SASnote/>
+ </SASentry>
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diff --git a/sasview/test/1d_data/10wtAOT_Reline_120_reduced.pdh b/sasview/test/1d_data/10wtAOT_Reline_120_reduced.pdh
new file mode 100644
index 0000000..c709d6e
--- /dev/null
+++ b/sasview/test/1d_data/10wtAOT_Reline_120_reduced.pdh
@@ -0,0 +1,827 @@
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+<?xml version="1.0" encoding="utf-8"?>
+<fileinfo version="3.50">
+ <column key="X">
+ <value key="unit">n_m^-1</value>
+ <value key="quantity">SCATTERING_VECTOR</value>
+ </column>
+ <column key="Y">
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </column>
+ <parameter key="Concentration" type="rc" index="0">
+ <value key="name">Concentration</value>
+ <value key="value">0</value>
+ <value key="stddev">-1</value>
+ <value key="unit">g*l^-1</value>
+ <value key="quantity">CONCENTRATION_MASS</value>
+ </parameter>
+ <parameter key="Absorption">
+ <value key="name">Absorption</value>
+ <value key="value">1</value>
+ <value key="stddev">-1</value>
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </parameter>
+ <parameter key="InternalScalingFactor" type="rc" index="3">
+ <value key="name">InternalScalingFactor</value>
+ <value key="value">1</value>
+ <value key="stddev">-1</value>
+ <value key="unit">none</value>
+ <value key="quantity">NONE</value>
+ </parameter>
+ <parameter key="SampleDetector" type="rc" index="1">
+ <value key="name">SampleDetector</value>
+ <value key="value">261.2</value>
+ <value key="stddev">-1</value>
+ <value key="unit">m_m</value>
+ <value key="quantity">DISTANCE</value>
+ </parameter>
+ <parameter key="CounterSlitLength" type="rc" index="6">
+ <value key="name">CounterSlitLength</value>
+ <value key="value">5.63905460856387</value>
+ <value key="stddev">-1</value>
+ <value key="unit">n_m^-1</value>
+ <value key="quantity">SCATTERING_VECTOR</value>
+ </parameter>
+ <parameter key="Temperature" type="rc" index="5">
+ <value key="name">Temperature</value>
+ <value key="value">30</value>
+ <value key="stddev">-1</value>
+ <value key="unit">degC</value>
+ <value key="quantity">TEMPERATURE</value>
+ </parameter>
+ <parameter key="DetectorRadius">
+ <value key="name">DetectorRadius</value>
+ <value key="value">260</value>
+ <value key="stddev">-1</value>
+ <value key="unit">m_m</value>
+ <value key="quantity">DISTANCE</value>
+ </parameter>
+ <parameter key="Wavelength" type="rc" index="4">
+ <value key="name">Wavelength</value>
+ <value key="value">0.1542</value>
+ <value key="stddev">-1</value>
+ <value key="unit">n_m</value>
+ <value key="quantity">WAVELENGTH</value>
+ </parameter>
+ <parameter key="GammaRatio" type="rc" index="2">
+ <value key="name">GammaRatio</value>
+ <value key="value">0</value>
+ <value key="stddev">-1</value>
+ <value key="unit">none</value>
+ <value key="quantity">NONE</value>
+ </parameter>
+</fileinfo>
\ No newline at end of file
diff --git a/sasview/test/1d_data/33837rear_1D_1.75_16.5_CanSAS1D.xml b/sasview/test/1d_data/33837rear_1D_1.75_16.5_CanSAS1D.xml
new file mode 100644
index 0000000..5350a86
--- /dev/null
+++ b/sasview/test/1d_data/33837rear_1D_1.75_16.5_CanSAS1D.xml
@@ -0,0 +1,155 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="33837rear_1D_1.75_16.5_cloned_temp">
+ <Title>MH4_5deg_16T_SLOW</Title>
+ <Run>33837</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.00416</Q><I unit="1/cm">5.41609</I><Idev unit="1/cm">0.615225</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.0044928</Q><I unit="1/cm">4.32188</I><Idev unit="1/cm">0.420789</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00485222</Q><I unit="1/cm">3.96471</I><Idev unit="1/cm">0.338843</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.0052404</Q><I unit="1/cm">4.61287</I><Idev unit="1/cm">0.290396</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00565963</Q><I unit="1/cm">4.54281</I><Idev unit="1/cm">0.241842</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.0061124</Q><I unit="1/cm">5.19408</I><Idev unit="1/cm">0.21259</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.0066014</Q><I unit="1/cm">5.87573</I><Idev unit="1/cm">0.196891</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00712951</Q><I unit="1/cm">7.24502</I><Idev unit="1/cm">0.178057</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00769987</Q><I unit="1/cm">11.0881</I><Idev unit="1/cm">0.191046</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00831586</Q><I unit="1/cm">18.3584</I><Idev unit="1/cm">0.210533</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00898113</Q><I unit="1/cm">24.1939</I><Idev unit="1/cm">0.207214</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.00969962</Q><I unit="1/cm">28.1966</I><Idev unit="1/cm">0.198055</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ </SASdata>
+ <SAStransmission_spectrum name="sample">
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+ <Tdata><Lambda unit="A">14.6185</Lambda><T unit="none">0.387728</T><Tdev unit="none">0.0042356</Tdev></Tdata>
+ <Tdata><Lambda unit="A">15.3494</Lambda><T unit="none">0.370054</T><Tdev unit="none">0.00441951</Tdev></Tdata>
+ <Tdata><Lambda unit="A">16.1119</Lambda><T unit="none">0.363512</T><Tdev unit="none">0.00482131</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>MH4_5deg_16T_SLOW</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>SANS2D</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>front-detector</name>
+ <SDD unit="m">2.84526</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>rear-detector</name>
+ <SDD unit="m">4.38528</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>11-May-2016 12:15:34</date>
+ <term name="svn">3.6.20160510.609</term>
+ <term name="user_file">Z:/Masks/USER_SANS2D_153P_2p4_4m_M3_Hollamby_4mm_17TCryomagnet.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/33837rear_1D_1.75_16.5_NXcanSAS.h5 b/sasview/test/1d_data/33837rear_1D_1.75_16.5_NXcanSAS.h5
new file mode 100644
index 0000000..569d514
Binary files /dev/null and b/sasview/test/1d_data/33837rear_1D_1.75_16.5_NXcanSAS.h5 differ
diff --git a/sasview/test/1d_data/33837rear_1D_1.75_16.5_NXcanSAS_v3.h5 b/sasview/test/1d_data/33837rear_1D_1.75_16.5_NXcanSAS_v3.h5
new file mode 100644
index 0000000..1908573
Binary files /dev/null and b/sasview/test/1d_data/33837rear_1D_1.75_16.5_NXcanSAS_v3.h5 differ
diff --git a/sasview/test/1d_data/AOT_Microemulsion-Core_Contrast.xml b/sasview/test/1d_data/AOT_Microemulsion-Core_Contrast.xml
new file mode 100644
index 0000000..0dca7f9
--- /dev/null
+++ b/sasview/test/1d_data/AOT_Microemulsion-Core_Contrast.xml
@@ -0,0 +1,270 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="NTC_AOT Core_rear">
+ <Title>core contrast AOT me_SANS</Title>
+ <Run>83589</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">8.66097</I><Idev unit="1/cm">0.678276</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">9.07765</I><Idev unit="1/cm">0.415207</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">8.74335</I><Idev unit="1/cm">0.33303</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">8.97573</I><Idev unit="1/cm">0.266251</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">8.01969</I><Idev unit="1/cm">0.229252</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">8.50362</I><Idev unit="1/cm">0.207062</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">8.21644</I><Idev unit="1/cm">0.187379</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">8.5445</I><Idev unit="1/cm">0.17513</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">8.25839</I><Idev unit="1/cm">0.163151</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">8.385</I><Idev unit="1/cm">0.156304</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">8.19833</I><Idev unit="1/cm">0.14797</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">8.174</I><Idev unit="1/cm">0.143222</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">8.10893</I><Idev unit="1/cm">0.138323</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">7.90257</I><Idev unit="1/cm">0.133951</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.037</Q><I unit="1/cm">7.92779</I><Idev unit="1/cm">0.13133</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ </SAStransmission_spectrum>
+ <SAStransmission_spectrum name="can">
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+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.421694</T><Tdev unit="none">0.0244834</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>core contrast AOT me_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15503</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.585</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>04-Mar-2014 16:32:25</date>
+ <term name="svn">3.1.20140221.1825</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_135F_NTC-Tue_Normal_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/AOT_Microemulsion-Drop_Contrast.xml b/sasview/test/1d_data/AOT_Microemulsion-Drop_Contrast.xml
new file mode 100644
index 0000000..fb85ecd
--- /dev/null
+++ b/sasview/test/1d_data/AOT_Microemulsion-Drop_Contrast.xml
@@ -0,0 +1,270 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="NTC_AOT drop_rear">
+ <Title>drop contrast AOT me_SANS</Title>
+ <Run>83591</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">32.086</I><Idev unit="1/cm">0.550487</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">31.7904</I><Idev unit="1/cm">0.370391</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">32.2141</I><Idev unit="1/cm">0.317236</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">31.7033</I><Idev unit="1/cm">0.263118</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">31.9587</I><Idev unit="1/cm">0.23408</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">30.7445</I><Idev unit="1/cm">0.2075</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">30.1795</I><Idev unit="1/cm">0.191054</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">29.9222</I><Idev unit="1/cm">0.176051</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">29.6079</I><Idev unit="1/cm">0.166403</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">28.8736</I><Idev unit="1/cm">0.149979</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">28.4022</I><Idev unit="1/cm">0.144155</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.047</Q><I unit="1/cm">23.1582</I><Idev unit="1/cm">0.10687</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.049</Q><I unit="1/cm">22.3059</I><Idev unit="1/cm">0.102865</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.055</Q><I unit="1/cm">19.5095</I><Idev unit="1/cm">0.0921571</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.063</Q><I unit="1/cm">15.5512</I><Idev unit="1/cm">0.0800461</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.065</Q><I unit="1/cm">14.5958</I><Idev unit="1/cm">0.0777443</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.602308</T><Tdev unit="none">0.0305026</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SAStransmission_spectrum name="can">
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+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.782944</T><Tdev unit="none">0.0206348</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.814948</T><Tdev unit="none">0.0227538</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.80979</T><Tdev unit="none">0.0245837</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.766938</T><Tdev unit="none">0.0247973</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.78171</T><Tdev unit="none">0.0273093</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.78682</T><Tdev unit="none">0.0292675</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.695609</T><Tdev unit="none">0.0284922</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.821645</T><Tdev unit="none">0.0357011</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.750056</T><Tdev unit="none">0.0359214</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>drop contrast AOT me_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15503</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.585</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>04-Mar-2014 16:32:37</date>
+ <term name="svn">3.1.20140221.1825</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_135F_NTC-Tue_Normal_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/AOT_Microemulsion-Shell_Contrast.xml b/sasview/test/1d_data/AOT_Microemulsion-Shell_Contrast.xml
new file mode 100644
index 0000000..76411c3
--- /dev/null
+++ b/sasview/test/1d_data/AOT_Microemulsion-Shell_Contrast.xml
@@ -0,0 +1,270 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="NTC_AOT shell_rear">
+ <Title>shell contrast AOT me_SANS</Title>
+ <Run>83590</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">11.0942</I><Idev unit="1/cm">0.339606</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">10.6959</I><Idev unit="1/cm">0.218483</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">10.8797</I><Idev unit="1/cm">0.183705</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">10.4098</I><Idev unit="1/cm">0.148323</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">10.2331</I><Idev unit="1/cm">0.129311</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.78171</T><Tdev unit="none">0.0273093</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.78682</T><Tdev unit="none">0.0292675</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.695609</T><Tdev unit="none">0.0284922</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.821645</T><Tdev unit="none">0.0357011</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.750056</T><Tdev unit="none">0.0359214</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>shell contrast AOT me_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15503</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.585</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>04-Mar-2014 16:32:31</date>
+ <term name="svn">3.1.20140221.1825</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_135F_NTC-Tue_Normal_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/APS_DND-CAT.TXT b/sasview/test/1d_data/APS_DND-CAT.TXT
new file mode 100644
index 0000000..054eee4
--- /dev/null
+++ b/sasview/test/1d_data/APS_DND-CAT.TXT
@@ -0,0 +1,734 @@
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diff --git a/sasview/test/1d_data/Anton-Paar.pdh b/sasview/test/1d_data/Anton-Paar.pdh
new file mode 100644
index 0000000..b783f58
--- /dev/null
+++ b/sasview/test/1d_data/Anton-Paar.pdh
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+<?xml version="1.0" encoding="utf-8"?>
+<fileinfo version="3.00">
+ <column key="X">
+ <value key="unit">n_m^-1</value>
+ <value key="quantity">SCATTERING_VECTOR</value>
+ </column>
+ <column key="Y">
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </column>
+ <parameter key="Concentration" type="rc" index="0">
+ <value key="name">Concentration</value>
+ <value key="value">0</value>
+ <value key="stddev">-1</value>
+ <value key="unit">g*l^-1</value>
+ <value key="quantity">CONCENTRATION_MASS</value>
+ </parameter>
+ <parameter key="Absorption">
+ <value key="name">Absorption</value>
+ <value key="value">1</value>
+ <value key="stddev">-1</value>
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </parameter>
+ <parameter key="DC">
+ <value key="name">DC</value>
+ <value key="value">369.34777433293397</value>
+ <value key="stddev">8.47926696924501</value>
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </parameter>
+ <parameter key="InternalScalingFactor" type="rc" index="3">
+ <value key="name">InternalScalingFactor</value>
+ <value key="value">1.3737093580186209E-05</value>
+ <value key="stddev">8.7271499887024812E-08</value>
+ <value key="unit">none</value>
+ <value key="quantity">NONE</value>
+ </parameter>
+ <parameter key="Normalization Factor">
+ <value key="name">Normalization Factor</value>
+ <value key="value">72795.602225667069</value>
+ <value key="stddev">462.45044239748808</value>
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </parameter>
+ <parameter key="SampleDetector" type="rc" index="1">
+ <value key="name">SampleDetector</value>
+ <value key="value">261.2</value>
+ <value key="stddev">-1</value>
+ <value key="unit">m_m</value>
+ <value key="quantity">DISTANCE</value>
+ </parameter>
+ <parameter key="CounterSlitLength" type="rc" index="6">
+ <value key="name">CounterSlitLength</value>
+ <value key="value">1.55757776118539</value>
+ <value key="stddev">-1</value>
+ <value key="unit">n_m^-1</value>
+ <value key="quantity">SCATTERING_VECTOR</value>
+ </parameter>
+ <parameter key="Temperature" type="rc" index="5">
+ <value key="name">Temperature</value>
+ <value key="value">25</value>
+ <value key="stddev">-1</value>
+ <value key="unit">degC</value>
+ <value key="quantity">TEMPERATURE</value>
+ </parameter>
+ <parameter key="DetectorRadius">
+ <value key="name">DetectorRadius</value>
+ <value key="value">260</value>
+ <value key="stddev">-1</value>
+ <value key="unit">m_m</value>
+ <value key="quantity">DISTANCE</value>
+ </parameter>
+ <parameter key="Wavelength" type="rc" index="4">
+ <value key="name">Wavelength</value>
+ <value key="value">0.1542</value>
+ <value key="stddev">-1</value>
+ <value key="unit">n_m</value>
+ <value key="quantity">WAVELENGTH</value>
+ </parameter>
+ <parameter key="GammaRatio" type="rc" index="2">
+ <value key="name">GammaRatio</value>
+ <value key="value">0</value>
+ <value key="stddev">-1</value>
+ <value key="unit">none</value>
+ <value key="quantity">NONE</value>
+ </parameter>
+</fileinfo>
\ No newline at end of file
diff --git a/sasview/test/1d_data/CoreXY_ShellZ.txt b/sasview/test/1d_data/CoreXY_ShellZ.txt
new file mode 100644
index 0000000..69cfcc6
--- /dev/null
+++ b/sasview/test/1d_data/CoreXY_ShellZ.txt
@@ -0,0 +1,553 @@
+X Y Z SLDN SLDMx SLDMy SLDMz
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diff --git a/sasview/test/1d_data/ISIS_83404.TXT b/sasview/test/1d_data/ISIS_83404.TXT
new file mode 100644
index 0000000..def71f0
--- /dev/null
+++ b/sasview/test/1d_data/ISIS_83404.TXT
@@ -0,0 +1,126 @@
+ LOQ Tue 20-FEB-2001 13:46 SAMPLE: 83404 EMPTY CAN: 83387 used /FLAT
+ Wav 2.20 > 10.00 Phi -90.0 > 90.0 Rad 53.0 > 750.0 Scaled* 1.015
+ 121 0 0 0 1 121 0
+ 0 0 0 0
+ 3 (F12.5,2E16.6)
+ 0.00900 3.843649E+01 8.087308E-01
+ 0.01100 2.867185E+01 3.365682E-01
+ 0.01300 2.212955E+01 1.986344E-01
+ 0.01500 1.847433E+01 1.506148E-01
+ 0.01700 1.599559E+01 1.189224E-01
+ 0.01900 1.434334E+01 9.882045E-02
+ 0.02100 1.331858E+01 8.641777E-02
+ 0.02300 1.239631E+01 7.700504E-02
+ 0.02500 1.175125E+01 6.990851E-02
+ 0.02700 1.122578E+01 6.410060E-02
+ 0.02900 1.090128E+01 6.027435E-02
+ 0.03100 1.071089E+01 5.718787E-02
+ 0.03300 1.054501E+01 5.458181E-02
+ 0.03500 1.031509E+01 5.218545E-02
+ 0.03700 1.012093E+01 5.020808E-02
+ 0.03900 1.001343E+01 4.908293E-02
+ 0.04100 9.811930E+00 4.728255E-02
+ 0.04300 9.600204E+00 4.604504E-02
+ 0.04500 9.213490E+00 4.410876E-02
+ 0.04700 8.805013E+00 4.265179E-02
+ 0.04900 8.392297E+00 4.095110E-02
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+ 0.05300 7.203775E+00 3.687661E-02
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+ 0.05900 5.435252E+00 3.114039E-02
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diff --git a/sasview/test/1d_data/ISIS_98929.TXT b/sasview/test/1d_data/ISIS_98929.TXT
new file mode 100644
index 0000000..f5d19d7
--- /dev/null
+++ b/sasview/test/1d_data/ISIS_98929.TXT
@@ -0,0 +1,145 @@
+ LOQ Wed 4-JUN-2003 14:21 SAMPLE: 98929 EMPTY CAN: 98931 used /FLAT
+ Wav 2.20 > 10.00 Phi 45.0 > 180.0 Rad 38.0 > 419.0 Scaled* 0.970
+ 140 0 0 0 1 140 0
+ 0 0 0 0
+ 3 (F12.5,2E16.6)
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diff --git a/sasview/test/1d_data/ISIS_Polymer_Blend_TK49.xml b/sasview/test/1d_data/ISIS_Polymer_Blend_TK49.xml
new file mode 100644
index 0000000..2941c71
--- /dev/null
+++ b/sasview/test/1d_data/ISIS_Polymer_Blend_TK49.xml
@@ -0,0 +1,235 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="80514main_1D_2.2_10.0">
+ <Title>LOQ_Standard_TK49_SANS</Title>
+ <Run>80514</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">64.9826</I><Idev unit="1/cm">0.905127</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">60.4976</I><Idev unit="1/cm">0.578505</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">54.1897</I><Idev unit="1/cm">0.454188</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">48.6809</I><Idev unit="1/cm">0.364523</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">40.5013</I><Idev unit="1/cm">0.2639</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">36.7962</I><Idev unit="1/cm">0.231793</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">5.66691</Lambda><T unit="none">0.974179</T><Tdev unit="none">0.0101862</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.86525</Lambda><T unit="none">0.988987</T><Tdev unit="none">0.0105942</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.07054</Lambda><T unit="none">0.975504</T><Tdev unit="none">0.0107968</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.28301</Lambda><T unit="none">0.975647</T><Tdev unit="none">0.011231</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.50291</Lambda><T unit="none">0.974633</T><Tdev unit="none">0.0113013</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.73051</Lambda><T unit="none">0.976703</T><Tdev unit="none">0.011987</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.96608</Lambda><T unit="none">0.967614</T><Tdev unit="none">0.0126815</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.2099</Lambda><T unit="none">0.978361</T><Tdev unit="none">0.0134068</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.958873</T><Tdev unit="none">0.0139943</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.97319</T><Tdev unit="none">0.015212</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.99698</T><Tdev unit="none">0.0167777</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">1.00513</T><Tdev unit="none">0.0180262</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.986528</T><Tdev unit="none">0.0190389</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.996815</T><Tdev unit="none">0.0208194</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.957622</T><Tdev unit="none">0.0214354</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">1.00279</T><Tdev unit="none">0.0247042</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.993793</T><Tdev unit="none">0.0267795</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>LOQ_Standard_TK49_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.579</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.14902</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>10-Oct-2013 16:00:29</date>
+ <term name="svn">2.6.20130902.1504</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_133D_Xpress_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/P123_D2O_10_percent.xml b/sasview/test/1d_data/P123_D2O_10_percent.xml
new file mode 100644
index 0000000..ff984f8
--- /dev/null
+++ b/sasview/test/1d_data/P123_D2O_10_percent.xml
@@ -0,0 +1,257 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="10wt% P123_rear">
+ <Title>10wt%_P123_SANS</Title>
+ <Run>91799</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">68.5154</I><Idev unit="1/cm">1.10634</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">72.79</I><Idev unit="1/cm">0.757061</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">78.1117</I><Idev unit="1/cm">0.65679</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">85.5235</I><Idev unit="1/cm">0.577466</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">94.3998</I><Idev unit="1/cm">0.538397</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">103.604</I><Idev unit="1/cm">0.509369</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">115.033</I><Idev unit="1/cm">0.495824</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">126.703</I><Idev unit="1/cm">0.486723</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">136.679</I><Idev unit="1/cm">0.475975</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">142.644</I><Idev unit="1/cm">0.465865</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">142.876</I><Idev unit="1/cm">0.44702</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">135.493</I><Idev unit="1/cm">0.420702</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">121.345</I><Idev unit="1/cm">0.388344</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.043</Q><I unit="1/cm">41.7199</I><Idev unit="1/cm">0.201923</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.053</Q><I unit="1/cm">12.2719</I><Idev unit="1/cm">0.101072</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.055</Q><I unit="1/cm">9.58235</I><Idev unit="1/cm">0.088773</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ </SASdata>
+ <SAStransmission_spectrum name="sample">
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+ </SAStransmission_spectrum>
+ <SAStransmission_spectrum name="can">
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+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.707367</T><Tdev unit="none">0.0152872</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.706325</T><Tdev unit="none">0.0163263</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.693138</T><Tdev unit="none">0.0185558</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.696965</T><Tdev unit="none">0.0201635</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.692456</T><Tdev unit="none">0.021653</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.755859</T><Tdev unit="none">0.0251349</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.686622</T><Tdev unit="none">0.0283451</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>10wt%_P123_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15203</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.582</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>05-Jun-2015 09:06:56</date>
+ <term name="svn">3.3.0</term>
+ <term name="user_file">K:/masks/USER_LOQ_151A_Griffiths_6mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/P123_D2O_30_percent.xml b/sasview/test/1d_data/P123_D2O_30_percent.xml
new file mode 100644
index 0000000..ea6c0df
--- /dev/null
+++ b/sasview/test/1d_data/P123_D2O_30_percent.xml
@@ -0,0 +1,257 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="30wt% P123_rear">
+ <Title>30wt_P123_SANS</Title>
+ <Run>91655</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">12.6348</I><Idev unit="1/cm">1.0256</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">13.547</I><Idev unit="1/cm">0.66601</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">12.6889</I><Idev unit="1/cm">0.525437</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">12.6496</I><Idev unit="1/cm">0.429911</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">12.5622</I><Idev unit="1/cm">0.374765</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">12.8024</I><Idev unit="1/cm">0.33902</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">14.4162</I><Idev unit="1/cm">0.330044</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">16.7098</I><Idev unit="1/cm">0.330884</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">17.931</I><Idev unit="1/cm">0.322045</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">20.5972</I><Idev unit="1/cm">0.329332</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">25.0095</I><Idev unit="1/cm">0.347274</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">31.455</I><Idev unit="1/cm">0.37593</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">44.784</I><Idev unit="1/cm">0.436969</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">82.6849</I><Idev unit="1/cm">0.576393</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.037</Q><I unit="1/cm">190.417</I><Idev unit="1/cm">0.846315</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">5.11123</Lambda><T unit="none">0.731012</T><Tdev unit="none">0.0105817</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.29012</Lambda><T unit="none">0.719429</T><Tdev unit="none">0.0105764</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">5.66691</Lambda><T unit="none">0.7161</T><Tdev unit="none">0.0109888</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.86525</Lambda><T unit="none">0.705263</T><Tdev unit="none">0.0110701</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">6.28301</Lambda><T unit="none">0.684109</T><Tdev unit="none">0.0116279</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">6.96608</Lambda><T unit="none">0.657246</T><Tdev unit="none">0.0129151</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.657719</T><Tdev unit="none">0.0146215</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.666351</T><Tdev unit="none">0.0158335</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.658671</T><Tdev unit="none">0.0170397</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.621982</T><Tdev unit="none">0.0172201</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.643923</T><Tdev unit="none">0.0191772</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.618225</T><Tdev unit="none">0.0202711</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.627991</T><Tdev unit="none">0.0222851</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.621314</T><Tdev unit="none">0.0242157</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.609348</T><Tdev unit="none">0.0262237</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SAStransmission_spectrum name="can">
+ <Tdata><Lambda unit="A">2.2385</Lambda><T unit="none">0.895906</T><Tdev unit="none">0.0110572</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.31685</Lambda><T unit="none">0.89441</T><Tdev unit="none">0.0103222</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.39794</Lambda><T unit="none">0.898837</T><Tdev unit="none">0.00988901</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.48186</Lambda><T unit="none">0.901086</T><Tdev unit="none">0.00948728</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.56873</Lambda><T unit="none">0.894602</T><Tdev unit="none">0.00912184</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">2.75169</Lambda><T unit="none">0.907733</T><Tdev unit="none">0.00911745</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">3.15763</Lambda><T unit="none">0.894668</T><Tdev unit="none">0.00890057</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.26814</Lambda><T unit="none">0.891539</T><Tdev unit="none">0.00894448</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.38253</Lambda><T unit="none">0.897147</T><Tdev unit="none">0.00912964</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">3.62345</Lambda><T unit="none">0.883682</T><Tdev unit="none">0.00926544</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.75027</Lambda><T unit="none">0.875727</T><Tdev unit="none">0.00931745</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.88153</Lambda><T unit="none">0.894015</T><Tdev unit="none">0.00966354</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.01738</Lambda><T unit="none">0.884155</T><Tdev unit="none">0.00976067</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.15799</Lambda><T unit="none">0.889072</T><Tdev unit="none">0.00973329</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.30352</Lambda><T unit="none">0.886364</T><Tdev unit="none">0.00966135</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.45414</Lambda><T unit="none">0.884132</T><Tdev unit="none">0.0095788</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.61004</Lambda><T unit="none">0.886712</T><Tdev unit="none">0.00988093</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.77139</Lambda><T unit="none">0.879844</T><Tdev unit="none">0.00951745</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">5.11123</Lambda><T unit="none">0.870051</T><Tdev unit="none">0.00936131</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.29012</Lambda><T unit="none">0.876917</T><Tdev unit="none">0.00955726</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.47528</Lambda><T unit="none">0.878693</T><Tdev unit="none">0.00968345</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">6.07054</Lambda><T unit="none">0.873474</T><Tdev unit="none">0.0104076</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.28301</Lambda><T unit="none">0.881265</T><Tdev unit="none">0.0109195</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.50291</Lambda><T unit="none">0.880877</T><Tdev unit="none">0.0109836</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.73051</Lambda><T unit="none">0.88883</T><Tdev unit="none">0.0117568</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.96608</Lambda><T unit="none">0.886768</T><Tdev unit="none">0.0125598</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.2099</Lambda><T unit="none">0.877897</T><Tdev unit="none">0.0130393</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.899168</T><Tdev unit="none">0.014247</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.894255</T><Tdev unit="none">0.0151948</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.885008</T><Tdev unit="none">0.0163146</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.875864</T><Tdev unit="none">0.0171155</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.910823</T><Tdev unit="none">0.0191519</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.927298</T><Tdev unit="none">0.021054</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.934534</T><Tdev unit="none">0.0229263</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.945755</T><Tdev unit="none">0.0256476</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.928528</T><Tdev unit="none">0.0275546</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>30wt_P123_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15203</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.582</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>05-Jun-2015 09:01:40</date>
+ <term name="svn">3.3.0</term>
+ <term name="user_file">K:/masks/USER_LOQ_151A_Griffiths_6mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/P123_D2O_40_percent.xml b/sasview/test/1d_data/P123_D2O_40_percent.xml
new file mode 100644
index 0000000..89e9fbc
--- /dev/null
+++ b/sasview/test/1d_data/P123_D2O_40_percent.xml
@@ -0,0 +1,257 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="40wt% P123_rear">
+ <Title>40wt%_P123_SANS</Title>
+ <Run>91654</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">14.3878</I><Idev unit="1/cm">1.12492</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">10.6772</I><Idev unit="1/cm">0.639237</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">8.42652</I><Idev unit="1/cm">0.466033</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">8.65742</I><Idev unit="1/cm">0.380682</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">8.32873</I><Idev unit="1/cm">0.324672</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">7.80604</I><Idev unit="1/cm">0.28122</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">8.6543</I><Idev unit="1/cm">0.270677</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">8.94423</I><Idev unit="1/cm">0.256204</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">9.56485</I><Idev unit="1/cm">0.24866</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">11.205</I><Idev unit="1/cm">0.255943</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">12.5897</I><Idev unit="1/cm">0.259568</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">15.3273</I><Idev unit="1/cm">0.276155</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">19.8738</I><Idev unit="1/cm">0.306082</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">32.1748</I><Idev unit="1/cm">0.377484</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.037</Q><I unit="1/cm">64.845</I><Idev unit="1/cm">0.517453</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.039</Q><I unit="1/cm">141.087</I><Idev unit="1/cm">0.748428</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.041</Q><I unit="1/cm">248.823</I><Idev unit="1/cm">0.967744</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.043</Q><I unit="1/cm">314.972</I><Idev unit="1/cm">1.07146</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.045</Q><I unit="1/cm">258.705</I><Idev unit="1/cm">0.945097</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.047</Q><I unit="1/cm">140.911</I><Idev unit="1/cm">0.683685</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.049</Q><I unit="1/cm">63.3068</I><Idev unit="1/cm">0.450972</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.051</Q><I unit="1/cm">30.9429</I><Idev unit="1/cm">0.312134</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.053</Q><I unit="1/cm">17.8098</I><Idev unit="1/cm">0.233044</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.055</Q><I unit="1/cm">11.8071</I><Idev unit="1/cm">0.188115</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.057</Q><I unit="1/cm">8.99674</I><Idev unit="1/cm">0.163577</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.059</Q><I unit="1/cm">7.44075</I><Idev unit="1/cm">0.147971</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.061</Q><I unit="1/cm">6.36907</I><Idev unit="1/cm">0.136771</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.063</Q><I unit="1/cm">5.12403</I><Idev unit="1/cm">0.12304</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.065</Q><I unit="1/cm">4.77704</I><Idev unit="1/cm">0.118212</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.067</Q><I unit="1/cm">4.15218</I><Idev unit="1/cm">0.11007</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.069</Q><I unit="1/cm">4.08038</I><Idev unit="1/cm">0.110237</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.071</Q><I unit="1/cm">3.63146</I><Idev unit="1/cm">0.103885</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.073</Q><I unit="1/cm">3.6554</I><Idev unit="1/cm">0.104317</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.075</Q><I unit="1/cm">3.51831</I><Idev unit="1/cm">0.104349</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.077</Q><I unit="1/cm">3.79091</I><Idev unit="1/cm">0.106542</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.079</Q><I unit="1/cm">4.08866</I><Idev unit="1/cm">0.111863</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.081</Q><I unit="1/cm">4.09216</I><Idev unit="1/cm">0.112747</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.083</Q><I unit="1/cm">3.73695</I><Idev unit="1/cm">0.110319</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.085</Q><I unit="1/cm">3.32996</I><Idev unit="1/cm">0.104157</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.087</Q><I unit="1/cm">2.88438</I><Idev unit="1/cm">0.0979464</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.089</Q><I unit="1/cm">2.50092</I><Idev unit="1/cm">0.0931685</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.091</Q><I unit="1/cm">2.22232</I><Idev unit="1/cm">0.087219</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.093</Q><I unit="1/cm">2.0584</I><Idev unit="1/cm">0.0845502</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.095</Q><I unit="1/cm">1.93695</I><Idev unit="1/cm">0.082791</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.097</Q><I unit="1/cm">1.85001</I><Idev unit="1/cm">0.0812511</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.099</Q><I unit="1/cm">1.88343</I><Idev unit="1/cm">0.0823579</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.101</Q><I unit="1/cm">1.71258</I><Idev unit="1/cm">0.0791309</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.103</Q><I unit="1/cm">1.75077</I><Idev unit="1/cm">0.0805277</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.105</Q><I unit="1/cm">1.62724</I><Idev unit="1/cm">0.0785954</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.107</Q><I unit="1/cm">1.7521</I><Idev unit="1/cm">0.0808882</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.109</Q><I unit="1/cm">1.6674</I><Idev unit="1/cm">0.0801824</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.111</Q><I unit="1/cm">1.52945</I><Idev unit="1/cm">0.0780367</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.113</Q><I unit="1/cm">1.37983</I><Idev unit="1/cm">0.0743034</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.115</Q><I unit="1/cm">1.53655</I><Idev unit="1/cm">0.0789661</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.117</Q><I unit="1/cm">1.45815</I><Idev unit="1/cm">0.0770905</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">5.47528</Lambda><T unit="none">0.878693</T><Tdev unit="none">0.00968345</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.66691</Lambda><T unit="none">0.889544</T><Tdev unit="none">0.0100405</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.86525</Lambda><T unit="none">0.880503</T><Tdev unit="none">0.010157</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.07054</Lambda><T unit="none">0.873474</T><Tdev unit="none">0.0104076</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.28301</Lambda><T unit="none">0.881265</T><Tdev unit="none">0.0109195</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.50291</Lambda><T unit="none">0.880877</T><Tdev unit="none">0.0109836</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.899168</T><Tdev unit="none">0.014247</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.894255</T><Tdev unit="none">0.0151948</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.885008</T><Tdev unit="none">0.0163146</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.875864</T><Tdev unit="none">0.0171155</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.910823</T><Tdev unit="none">0.0191519</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.927298</T><Tdev unit="none">0.021054</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.934534</T><Tdev unit="none">0.0229263</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.945755</T><Tdev unit="none">0.0256476</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.928528</T><Tdev unit="none">0.0275546</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>40wt%_P123_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15203</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.582</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>05-Jun-2015 09:01:34</date>
+ <term name="svn">3.3.0</term>
+ <term name="user_file">K:/masks/USER_LOQ_151A_Griffiths_6mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/PolySpheres.txt b/sasview/test/1d_data/PolySpheres.txt
new file mode 100644
index 0000000..68754dc
--- /dev/null
+++ b/sasview/test/1d_data/PolySpheres.txt
@@ -0,0 +1,129 @@
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diff --git a/sasview/test/1d_data/beam profile.DAT b/sasview/test/1d_data/beam profile.DAT
new file mode 100644
index 0000000..d5bb0ed
--- /dev/null
+++ b/sasview/test/1d_data/beam profile.DAT
@@ -0,0 +1 @@
+
SAXS BOX
49 30 0 0 0 0 0 0
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0.100000E+01 0.155999E+01 0.000000E+00 0.000000E+00 0.000000E+00
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0.354566E+01 0.120037E-01 -0.100000E+01
0.362110E+01 0.110363E-01 -0.100000E+01
\ No newline at end of file
diff --git a/sasview/test/1d_data/circular_test.txt b/sasview/test/1d_data/circular_test.txt
new file mode 100644
index 0000000..59fd4f9
--- /dev/null
+++ b/sasview/test/1d_data/circular_test.txt
@@ -0,0 +1,197 @@
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diff --git a/sasview/test/1d_data/cyl_400_20.txt b/sasview/test/1d_data/cyl_400_20.txt
new file mode 100644
index 0000000..de71446
--- /dev/null
+++ b/sasview/test/1d_data/cyl_400_20.txt
@@ -0,0 +1,22 @@
+<X> <Y>
+0 -1.#IND
+0.025 125.852
+0.05 53.6662
+0.075 26.0733
+0.1 11.8935
+0.125 4.61714
+0.15 1.29983
+0.175 0.171347
+0.2 0.0417614
+0.225 0.172719
+0.25 0.247876
+0.275 0.20301
+0.3 0.104599
+0.325 0.0285595
+0.35 0.00213344
+0.375 0.0137511
+0.4 0.0312374
+0.425 0.0350328
+0.45 0.0243172
+0.475 0.00923067
+0.5 0.00121297
diff --git a/sasview/test/1d_data/cyl_400_40.txt b/sasview/test/1d_data/cyl_400_40.txt
new file mode 100644
index 0000000..b533fa1
--- /dev/null
+++ b/sasview/test/1d_data/cyl_400_40.txt
@@ -0,0 +1,56 @@
+<X> <Y>
+0 -1.#IND
+0.00925926 1246.59
+0.0185185 612.143
+0.0277778 361.142
+0.037037 211.601
+0.0462963 122.127
+0.0555556 65.2385
+0.0648148 30.8914
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diff --git a/sasview/test/1d_data/cyl_testdata.txt b/sasview/test/1d_data/cyl_testdata.txt
new file mode 100644
index 0000000..8b199c9
--- /dev/null
+++ b/sasview/test/1d_data/cyl_testdata.txt
@@ -0,0 +1,47 @@
+0.007778 1.78E+14 13335629
+
+0.023333 5.32E+13 7293888
+0.031111 3.40E+13 5833464
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+
+0.124444 2.58E+11 507633.7
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+
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+
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diff --git a/sasview/test/1d_data/cyl_testdata1.txt b/sasview/test/1d_data/cyl_testdata1.txt
new file mode 100644
index 0000000..d59b437
--- /dev/null
+++ b/sasview/test/1d_data/cyl_testdata1.txt
@@ -0,0 +1,54 @@
+0.007778 1.78E+14 13335629
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diff --git a/sasview/test/1d_data/cyl_testdata2.txt b/sasview/test/1d_data/cyl_testdata2.txt
new file mode 100644
index 0000000..c6cff1b
--- /dev/null
+++ b/sasview/test/1d_data/cyl_testdata2.txt
@@ -0,0 +1,50 @@
+0.007778 1.78E+14 13335629
+0.015556 8.79E+13 9373745
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diff --git a/sasview/test/1d_data/hSDS_D2O_0p5_percent.xml b/sasview/test/1d_data/hSDS_D2O_0p5_percent.xml
new file mode 100644
index 0000000..6293778
--- /dev/null
+++ b/sasview/test/1d_data/hSDS_D2O_0p5_percent.xml
@@ -0,0 +1,270 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="NTC_0.5_SDS_D2O_rear">
+ <Title>0.5% SDS in D2O_SANS</Title>
+ <Run>83583</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">0.0342528</I><Idev unit="1/cm">0.0825619</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">0.171265</I><Idev unit="1/cm">0.0455637</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">0.133973</I><Idev unit="1/cm">0.0305598</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">0.187755</I><Idev unit="1/cm">0.0221909</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">0.218834</I><Idev unit="1/cm">0.0182378</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">0.227778</I><Idev unit="1/cm">0.0163484</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">0.206609</I><Idev unit="1/cm">0.0151665</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">0.243568</I><Idev unit="1/cm">0.0138114</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">0.279029</I><Idev unit="1/cm">0.0134223</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">0.284534</I><Idev unit="1/cm">0.0130108</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">0.304541</I><Idev unit="1/cm">0.0127419</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">0.329851</I><Idev unit="1/cm">0.0126383</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">0.373305</I><Idev unit="1/cm">0.0122637</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.045</Q><I unit="1/cm">0.397821</I><Idev unit="1/cm">0.0109934</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.047</Q><I unit="1/cm">0.390735</I><Idev unit="1/cm">0.0109442</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.049</Q><I unit="1/cm">0.384272</I><Idev unit="1/cm">0.0105402</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.051</Q><I unit="1/cm">0.37972</I><Idev unit="1/cm">0.0103593</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.053</Q><I unit="1/cm">0.372711</I><Idev unit="1/cm">0.0101533</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.055</Q><I unit="1/cm">0.355911</I><Idev unit="1/cm">0.0098474</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.057</Q><I unit="1/cm">0.358474</I><Idev unit="1/cm">0.00981299</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.059</Q><I unit="1/cm">0.349393</I><Idev unit="1/cm">0.00969772</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.061</Q><I unit="1/cm">0.341187</I><Idev unit="1/cm">0.00956028</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.063</Q><I unit="1/cm">0.330998</I><Idev unit="1/cm">0.00945237</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.065</Q><I unit="1/cm">0.314676</I><Idev unit="1/cm">0.00937988</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.067</Q><I unit="1/cm">0.306324</I><Idev unit="1/cm">0.00920626</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">4.15799</Lambda><T unit="none">0.648161</T><Tdev unit="none">0.0125787</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.30352</Lambda><T unit="none">0.652103</T><Tdev unit="none">0.0127132</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.45414</Lambda><T unit="none">0.652747</T><Tdev unit="none">0.0126102</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.61004</Lambda><T unit="none">0.654757</T><Tdev unit="none">0.0129907</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.77139</Lambda><T unit="none">0.652484</T><Tdev unit="none">0.012587</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.93839</Lambda><T unit="none">0.633223</T><Tdev unit="none">0.0120561</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.11123</Lambda><T unit="none">0.641331</T><Tdev unit="none">0.0123315</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.29012</Lambda><T unit="none">0.637552</T><Tdev unit="none">0.0124599</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.47528</Lambda><T unit="none">0.65181</T><Tdev unit="none">0.0127577</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.66691</Lambda><T unit="none">0.632429</T><Tdev unit="none">0.0127482</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.86525</Lambda><T unit="none">0.634692</T><Tdev unit="none">0.0130638</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.07054</Lambda><T unit="none">0.627598</T><Tdev unit="none">0.013359</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.28301</Lambda><T unit="none">0.626223</T><Tdev unit="none">0.0139519</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.50291</Lambda><T unit="none">0.614028</T><Tdev unit="none">0.0137582</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.73051</Lambda><T unit="none">0.634283</T><Tdev unit="none">0.0149458</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.96608</Lambda><T unit="none">0.634423</T><Tdev unit="none">0.0157783</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.2099</Lambda><T unit="none">0.646179</T><Tdev unit="none">0.0167181</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.639745</T><Tdev unit="none">0.0178784</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.671474</T><Tdev unit="none">0.019813</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.73097</T><Tdev unit="none">0.0228352</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.651515</T><Tdev unit="none">0.0220147</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.717888</T><Tdev unit="none">0.0258823</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.668446</T><Tdev unit="none">0.0261152</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.656197</T><Tdev unit="none">0.0277635</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.658201</T><Tdev unit="none">0.0302085</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.651859</T><Tdev unit="none">0.0331165</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SAStransmission_spectrum name="can">
+ <Tdata><Lambda unit="A">2.2385</Lambda><T unit="none">0.727588</T><Tdev unit="none">0.0158998</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.31685</Lambda><T unit="none">0.721742</T><Tdev unit="none">0.0145372</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.39794</Lambda><T unit="none">0.727301</T><Tdev unit="none">0.0139723</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.48186</Lambda><T unit="none">0.733651</T><Tdev unit="none">0.0133522</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.56873</Lambda><T unit="none">0.708769</T><Tdev unit="none">0.0124337</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.65864</Lambda><T unit="none">0.719468</T><Tdev unit="none">0.0124562</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.75169</Lambda><T unit="none">0.702402</T><Tdev unit="none">0.0120783</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.848</Lambda><T unit="none">0.697922</T><Tdev unit="none">0.0120089</Tdev></Tdata>
+ <Tdata><Lambda unit="A">2.94768</Lambda><T unit="none">0.697948</T><Tdev unit="none">0.0118972</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.05085</Lambda><T unit="none">0.672376</T><Tdev unit="none">0.0115341</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.15763</Lambda><T unit="none">0.679647</T><Tdev unit="none">0.0116933</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.26814</Lambda><T unit="none">0.675152</T><Tdev unit="none">0.0117553</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.38253</Lambda><T unit="none">0.689037</T><Tdev unit="none">0.0121333</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.50092</Lambda><T unit="none">0.681897</T><Tdev unit="none">0.0121972</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.62345</Lambda><T unit="none">0.691561</T><Tdev unit="none">0.0125677</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.75027</Lambda><T unit="none">0.677965</T><Tdev unit="none">0.0125759</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.88153</Lambda><T unit="none">0.682284</T><Tdev unit="none">0.0129018</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.01738</Lambda><T unit="none">0.663371</T><Tdev unit="none">0.0128811</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.15799</Lambda><T unit="none">0.661696</T><Tdev unit="none">0.012782</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.30352</Lambda><T unit="none">0.669405</T><Tdev unit="none">0.0128953</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.45414</Lambda><T unit="none">0.669118</T><Tdev unit="none">0.0127914</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.61004</Lambda><T unit="none">0.69353</T><Tdev unit="none">0.0135635</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.77139</Lambda><T unit="none">0.639561</T><Tdev unit="none">0.0123333</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.93839</Lambda><T unit="none">0.657168</T><Tdev unit="none">0.0123225</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.11123</Lambda><T unit="none">0.670312</T><Tdev unit="none">0.0127275</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.29012</Lambda><T unit="none">0.634913</T><Tdev unit="none">0.012332</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.47528</Lambda><T unit="none">0.63258</T><Tdev unit="none">0.0124404</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.66691</Lambda><T unit="none">0.655986</T><Tdev unit="none">0.013124</Tdev></Tdata>
+ <Tdata><Lambda unit="A">5.86525</Lambda><T unit="none">0.636271</T><Tdev unit="none">0.0130937</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.07054</Lambda><T unit="none">0.630462</T><Tdev unit="none">0.0133119</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.28301</Lambda><T unit="none">0.657602</T><Tdev unit="none">0.0143499</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.50291</Lambda><T unit="none">0.646356</T><Tdev unit="none">0.0142434</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.73051</Lambda><T unit="none">0.656583</T><Tdev unit="none">0.0152343</Tdev></Tdata>
+ <Tdata><Lambda unit="A">6.96608</Lambda><T unit="none">0.662525</T><Tdev unit="none">0.0162915</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.2099</Lambda><T unit="none">0.673293</T><Tdev unit="none">0.0172696</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.46224</Lambda><T unit="none">0.66953</T><Tdev unit="none">0.0184858</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.72342</Lambda><T unit="none">0.67777</T><Tdev unit="none">0.0199275</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.99374</Lambda><T unit="none">0.701727</T><Tdev unit="none">0.0221297</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.27352</Lambda><T unit="none">0.669309</T><Tdev unit="none">0.0225875</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.742833</T><Tdev unit="none">0.026469</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.703934</T><Tdev unit="none">0.0272645</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.703654</T><Tdev unit="none">0.0291621</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.659669</T><Tdev unit="none">0.0303307</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.647612</T><Tdev unit="none">0.0323176</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>0.5% SDS in D2O_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15503</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.585</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>04-Mar-2014 16:32:02</date>
+ <term name="svn">3.1.20140221.1825</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_135F_NTC-Tue_Normal_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/hSDS_D2O_2p0_percent.xml b/sasview/test/1d_data/hSDS_D2O_2p0_percent.xml
new file mode 100644
index 0000000..b8968cf
--- /dev/null
+++ b/sasview/test/1d_data/hSDS_D2O_2p0_percent.xml
@@ -0,0 +1,270 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="NTC_2_SDS_D2O_rear">
+ <Title>2% SDS in D2O_SANS</Title>
+ <Run>83584</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">-0.0278653</I><Idev unit="1/cm">0.0708475</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">0.100061</I><Idev unit="1/cm">0.0384686</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">0.0323749</I><Idev unit="1/cm">0.0259192</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">0.12407</I><Idev unit="1/cm">0.0183955</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">0.108131</I><Idev unit="1/cm">0.0139255</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">0.119769</I><Idev unit="1/cm">0.0116475</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">0.15194</I><Idev unit="1/cm">0.0110338</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">0.156139</I><Idev unit="1/cm">0.0101336</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">0.167582</I><Idev unit="1/cm">0.00970366</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">0.208408</I><Idev unit="1/cm">0.00972922</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">0.224198</I><Idev unit="1/cm">0.00970444</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">0.258236</I><Idev unit="1/cm">0.00971903</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">0.287294</I><Idev unit="1/cm">0.00976802</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">0.324333</I><Idev unit="1/cm">0.00990644</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.037</Q><I unit="1/cm">0.371506</I><Idev unit="1/cm">0.0101398</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.039</Q><I unit="1/cm">0.422412</I><Idev unit="1/cm">0.0103066</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.041</Q><I unit="1/cm">0.4719</I><Idev unit="1/cm">0.0106703</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.043</Q><I unit="1/cm">0.550086</I><Idev unit="1/cm">0.0110291</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.045</Q><I unit="1/cm">0.626519</I><Idev unit="1/cm">0.0114212</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.047</Q><I unit="1/cm">0.687529</I><Idev unit="1/cm">0.0117198</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.049</Q><I unit="1/cm">0.735405</I><Idev unit="1/cm">0.0118302</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.051</Q><I unit="1/cm">0.803679</I><Idev unit="1/cm">0.0120041</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.053</Q><I unit="1/cm">0.850575</I><Idev unit="1/cm">0.0122382</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.055</Q><I unit="1/cm">0.860048</I><Idev unit="1/cm">0.0121426</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.057</Q><I unit="1/cm">0.890567</I><Idev unit="1/cm">0.0122399</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.059</Q><I unit="1/cm">0.879156</I><Idev unit="1/cm">0.0120965</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.061</Q><I unit="1/cm">0.895811</I><Idev unit="1/cm">0.012149</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.063</Q><I unit="1/cm">0.853399</I><Idev unit="1/cm">0.0118032</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.065</Q><I unit="1/cm">0.833961</I><Idev unit="1/cm">0.0117042</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.067</Q><I unit="1/cm">0.776659</I><Idev unit="1/cm">0.0113248</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.069</Q><I unit="1/cm">0.748309</I><Idev unit="1/cm">0.0111548</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.073</Q><I unit="1/cm">0.691479</I><Idev unit="1/cm">0.0108242</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.075</Q><I unit="1/cm">0.649132</I><Idev unit="1/cm">0.010576</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.077</Q><I unit="1/cm">0.624025</I><Idev unit="1/cm">0.0104861</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.079</Q><I unit="1/cm">0.598425</I><Idev unit="1/cm">0.0103789</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.083</Q><I unit="1/cm">0.543947</I><Idev unit="1/cm">0.0101847</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.085</Q><I unit="1/cm">0.532097</I><Idev unit="1/cm">0.010117</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.087</Q><I unit="1/cm">0.517795</I><Idev unit="1/cm">0.0101765</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.089</Q><I unit="1/cm">0.489849</I><Idev unit="1/cm">0.00996684</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.091</Q><I unit="1/cm">0.46151</I><Idev unit="1/cm">0.00975244</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.093</Q><I unit="1/cm">0.451289</I><Idev unit="1/cm">0.00974061</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.095</Q><I unit="1/cm">0.456747</I><Idev unit="1/cm">0.00975423</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.097</Q><I unit="1/cm">0.431638</I><Idev unit="1/cm">0.00958945</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.099</Q><I unit="1/cm">0.41839</I><Idev unit="1/cm">0.00944336</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.101</Q><I unit="1/cm">0.405963</I><Idev unit="1/cm">0.00939632</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.109</Q><I unit="1/cm">0.360699</I><Idev unit="1/cm">0.00923374</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.111</Q><I unit="1/cm">0.347878</I><Idev unit="1/cm">0.00915224</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.117</Q><I unit="1/cm">0.293793</I><Idev unit="1/cm">0.00869727</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">8.56309</Lambda><T unit="none">0.928333</T><Tdev unit="none">0.0312963</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.8628</Lambda><T unit="none">0.877753</T><Tdev unit="none">0.0319304</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.173</Lambda><T unit="none">0.871583</T><Tdev unit="none">0.0341375</Tdev></Tdata>
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+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.833197</T><Tdev unit="none">0.0391619</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>2% SDS in D2O_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15503</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.585</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>04-Mar-2014 16:32:09</date>
+ <term name="svn">3.1.20140221.1825</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_135F_NTC-Tue_Normal_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/hSDS_D2O_2p0_percent_0p2M_NaCl.xml b/sasview/test/1d_data/hSDS_D2O_2p0_percent_0p2M_NaCl.xml
new file mode 100644
index 0000000..2178932
--- /dev/null
+++ b/sasview/test/1d_data/hSDS_D2O_2p0_percent_0p2M_NaCl.xml
@@ -0,0 +1,270 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="NTC_2_SDS_NaCl_D2O_rear">
+ <Title>2% SDS in 0.2M NaCl_SANS</Title>
+ <Run>83586</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">2.05225</I><Idev unit="1/cm">0.214126</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">2.19562</I><Idev unit="1/cm">0.125562</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">2.14419</I><Idev unit="1/cm">0.0969041</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">2.07359</I><Idev unit="1/cm">0.0728633</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">2.35067</I><Idev unit="1/cm">0.0529356</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">9.49406</Lambda><T unit="none">0.865242</T><Tdev unit="none">0.0369399</Tdev></Tdata>
+ <Tdata><Lambda unit="A">9.82867</Lambda><T unit="none">0.833197</T><Tdev unit="none">0.0391619</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>2% SDS in 0.2M NaCl_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>Spallation Neutron Source</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.15503</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.585</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>04-Mar-2014 16:32:20</date>
+ <term name="svn">3.1.20140221.1825</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_135F_NTC-Tue_Normal_8mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/latex_smeared.xml b/sasview/test/1d_data/latex_smeared.xml
new file mode 100644
index 0000000..721a0bd
--- /dev/null
+++ b/sasview/test/1d_data/latex_smeared.xml
@@ -0,0 +1,443 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O Qdev</Title>
+ <Run>latex_sans</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.003797</Q><I unit="1/cm">4006.05896074137</I><Idev unit="1/cm">160.350516888371</Idev><Qdev unit="1/A">0.00109</Qdev><Qmean unit="1/A">0.003945</Qmean><Shadowfactor>0.9956</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.004197</Q><I unit="1/cm">1594.1292143245</I><Idev unit="1/cm">144.193913580953</Idev><Qdev unit="1/A">0.001093</Qdev><Qmean unit="1/A">0.004328</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.004596</Q><I unit="1/cm">772.577974895497</I><Idev unit="1/cm">47.4452686423936</Idev><Qdev unit="1/A">0.001096</Qdev><Qmean unit="1/A">0.004716</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.004996</Q><I unit="1/cm">491.192789065555</I><Idev unit="1/cm">1.64212795726675</Idev><Qdev unit="1/A">0.0011</Qdev><Qmean unit="1/A">0.005106</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.005396</Q><I unit="1/cm">339.222462507531</I><Idev unit="1/cm">18.6638380002217</Idev><Qdev unit="1/A">0.001105</Qdev><Qmean unit="1/A">0.005498</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.005795</Q><I unit="1/cm">234.025331038665</I><Idev unit="1/cm">10.9659413510261</Idev><Qdev unit="1/A">0.001111</Qdev><Qmean unit="1/A">0.00589</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.006195</Q><I unit="1/cm">167.755826933366</I><Idev unit="1/cm">14.4727399222556</Idev><Qdev unit="1/A">0.001117</Qdev><Qmean unit="1/A">0.006284</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.006595</Q><I unit="1/cm">127.184502137658</I><Idev unit="1/cm">11.3388420587577</Idev><Qdev unit="1/A">0.001124</Qdev><Qmean unit="1/A">0.006678</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.006995</Q><I unit="1/cm">97.8743226629875</I><Idev unit="1/cm">7.72496924983092</Idev><Qdev unit="1/A">0.001131</Qdev><Qmean unit="1/A">0.007073</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.007394</Q><I unit="1/cm">75.7387226323965</I><Idev unit="1/cm">1.28726671212578</Idev><Qdev unit="1/A">0.00114</Qdev><Qmean unit="1/A">0.007468</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.007794</Q><I unit="1/cm">59.9674693155301</I><Idev unit="1/cm">5.66729694206856</Idev><Qdev unit="1/A">0.001148</Qdev><Qmean unit="1/A">0.007864</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.008194</Q><I unit="1/cm">48.5642877717183</I><Idev unit="1/cm">0.775068066134696</Idev><Qdev unit="1/A">0.001157</Qdev><Qmean unit="1/A">0.008261</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.008593</Q><I unit="1/cm">39.562368466145</I><Idev unit="1/cm">2.99469690504217</Idev><Qdev unit="1/A">0.001167</Qdev><Qmean unit="1/A">0.008657</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.008993</Q><I unit="1/cm">32.4131561966359</I><Idev unit="1/cm">0.112809624406009</Idev><Qdev unit="1/A">0.001177</Qdev><Qmean unit="1/A">0.009054</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.009393</Q><I unit="1/cm">26.9845122194651</I><Idev unit="1/cm">1.7559522605892</Idev><Qdev unit="1/A">0.001187</Qdev><Qmean unit="1/A">0.009451</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.009792</Q><I unit="1/cm">22.7193453130392</I><Idev unit="1/cm">1.70872993541491</Idev><Qdev unit="1/A">0.001198</Qdev><Qmean unit="1/A">0.009848</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01019</Q><I unit="1/cm">19.1396044557923</I><Idev unit="1/cm">0.870622123390108</Idev><Qdev unit="1/A">0.001209</Qdev><Qmean unit="1/A">0.01025</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01059</Q><I unit="1/cm">16.3106897029038</I><Idev unit="1/cm">1.2784566380161</Idev><Qdev unit="1/A">0.00122</Qdev><Qmean unit="1/A">0.01064</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01099</Q><I unit="1/cm">13.9942384293878</I><Idev unit="1/cm">1.09311729425028</Idev><Qdev unit="1/A">0.001232</Qdev><Qmean unit="1/A">0.01104</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01139</Q><I unit="1/cm">12.0788620780442</I><Idev unit="1/cm">0.321912704167634</Idev><Qdev unit="1/A">0.001244</Qdev><Qmean unit="1/A">0.01144</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01179</Q><I unit="1/cm">10.4538680640273</I><Idev unit="1/cm">0.826219886472332</Idev><Qdev unit="1/A">0.001257</Qdev><Qmean unit="1/A">0.01184</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01219</Q><I unit="1/cm">9.1009265046415</I><Idev unit="1/cm">0.719848600677436</Idev><Qdev unit="1/A">0.00127</Qdev><Qmean unit="1/A">0.01224</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01259</Q><I unit="1/cm">8.00642412230866</I><Idev unit="1/cm">0.684722867161744</Idev><Qdev unit="1/A">0.001283</Qdev><Qmean unit="1/A">0.01263</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01299</Q><I unit="1/cm">7.0456897705157</I><Idev unit="1/cm">0.166699720295245</Idev><Qdev unit="1/A">0.001296</Qdev><Qmean unit="1/A">0.01303</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01339</Q><I unit="1/cm">6.21724872865112</I><Idev unit="1/cm">0.153868634641546</Idev><Qdev unit="1/A">0.00131</Qdev><Qmean unit="1/A">0.01343</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01374</Q><I unit="1/cm">6.74668413666121</I><Idev unit="1/cm">0.184975656820248</Idev><Qdev unit="1/A">0.002327</Qdev><Qmean unit="1/A">0.01391</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01379</Q><I unit="1/cm">5.51301078640481</I><Idev unit="1/cm">0.118762537848476</Idev><Qdev unit="1/A">0.001324</Qdev><Qmean unit="1/A">0.01383</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01419</Q><I unit="1/cm">4.91258237718056</I><Idev unit="1/cm">0.176969813745123</Idev><Qdev unit="1/A">0.001338</Qdev><Qmean unit="1/A">0.01423</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01459</Q><I unit="1/cm">4.38999875927883</I><Idev unit="1/cm">0.311353476052822</Idev><Qdev unit="1/A">0.001353</Qdev><Qmean unit="1/A">0.01463</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01499</Q><I unit="1/cm">3.94346403459969</I><Idev unit="1/cm">0.387860159730271</Idev><Qdev unit="1/A">0.001367</Qdev><Qmean unit="1/A">0.01502</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01505</Q><I unit="1/cm">4.50082504231816</I><Idev unit="1/cm">0.0139779788973798</Idev><Qdev unit="1/A">0.002353</Qdev><Qmean unit="1/A">0.01521</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01539</Q><I unit="1/cm">3.54650814465845</I><Idev unit="1/cm">0.231354575544875</Idev><Qdev unit="1/A">0.001382</Qdev><Qmean unit="1/A">0.01542</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01579</Q><I unit="1/cm">3.20079465045656</I><Idev unit="1/cm">0.236881998414208</Idev><Qdev unit="1/A">0.001397</Qdev><Qmean unit="1/A">0.01582</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01619</Q><I unit="1/cm">2.89569892696003</I><Idev unit="1/cm">0.0558838715831364</Idev><Qdev unit="1/A">0.001413</Qdev><Qmean unit="1/A">0.01622</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01636</Q><I unit="1/cm">3.14491132919071</I><Idev unit="1/cm">0.286903957843761</Idev><Qdev unit="1/A">0.002381</Qdev><Qmean unit="1/A">0.0165</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01659</Q><I unit="1/cm">2.62598011992341</I><Idev unit="1/cm">0.0778103209577416</Idev><Qdev unit="1/A">0.001429</Qdev><Qmean unit="1/A">0.01662</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01699</Q><I unit="1/cm">2.38848351112502</I><Idev unit="1/cm">0.123003804813548</Idev><Qdev unit="1/A">0.001444</Qdev><Qmean unit="1/A">0.01702</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01738</Q><I unit="1/cm">2.17876187277835</I><Idev unit="1/cm">0.177344328232719</Idev><Qdev unit="1/A">0.001461</Qdev><Qmean unit="1/A">0.01742</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01767</Q><I unit="1/cm">2.26908817318902</I><Idev unit="1/cm">0.171479862774944</Idev><Qdev unit="1/A">0.002411</Qdev><Qmean unit="1/A">0.0178</Qmean><Shadowfactor>1</Shadowfactor></Idata>
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+ <Idata><Q unit="1/A">0.01818</Q><I unit="1/cm">1.82791800631361</I><Idev unit="1/cm">0.0244195325473987</Idev><Qdev unit="1/A">0.001493</Qdev><Qmean unit="1/A">0.01821</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.01858</Q><I unit="1/cm">1.67848509472461</I><Idev unit="1/cm">0.0887006173311792</Idev><Qdev unit="1/A">0.00151</Qdev><Qmean unit="1/A">0.01861</Qmean><Shadowfactor>1</Shadowfactor></Idata>
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+ <Idata><Q unit="1/A">0.02458</Q><I unit="1/cm">0.582489093815054</I><Idev unit="1/cm">0.0188057515484036</Idev><Qdev unit="1/A">0.001778</Qdev><Qmean unit="1/A">0.0246</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.02498</Q><I unit="1/cm">0.549545690031832</I><Idev unit="1/cm">0.0417923893167032</Idev><Qdev unit="1/A">0.001797</Qdev><Qmean unit="1/A">0.025</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.02537</Q><I unit="1/cm">0.519158483003037</I><Idev unit="1/cm">0.00547405917074116</Idev><Qdev unit="1/A">0.001816</Qdev><Qmean unit="1/A">0.0254</Qmean><Shadowfactor>1</Shadowfactor></Idata>
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+ <Idata><Q unit="1/A">0.02617</Q><I unit="1/cm">0.465766983148075</I><Idev unit="1/cm">0.00219192354124381</Idev><Qdev unit="1/A">0.001854</Qdev><Qmean unit="1/A">0.02619</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.02657</Q><I unit="1/cm">0.441691463896423</I><Idev unit="1/cm">0.00224346396292702</Idev><Qdev unit="1/A">0.001873</Qdev><Qmean unit="1/A">0.02659</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.02683</Q><I unit="1/cm">0.442666910956566</I><Idev unit="1/cm">0.0215039698815934</Idev><Qdev unit="1/A">0.00268</Qdev><Qmean unit="1/A">0.02692</Qmean><Shadowfactor>1</Shadowfactor></Idata>
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+ <Idata><Q unit="1/A">0.401</Q><I unit="1/cm">0.0598461884817662</I><Idev unit="1/cm">0.00379297785107319</Idev><Qdev unit="1/A">0.02375</Qdev><Qmean unit="1/A">0.401</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ </SASdata>
+ <SASsample>
+ <ID></ID>
+ <thickness unit="mm">1</thickness>
+ <transmission>0.327</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name></name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">5</wavelength>
+ </SASsource>
+ <SAScollimation>
+ </SAScollimation>
+ <SASdetector>
+ <name></name>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>
+ free form description of processing
+ </SASnote>
+ </SASentry>
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O slit</Title>
+ <Run>latex_usans</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">7.7457e-05</Q><I unit="1/cm">8432.04</I><Idev unit="1/cm">153.745</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">8.3007e-05</Q><I unit="1/cm">8298.38</I><Idev unit="1/cm">152.01</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">8.8557e-05</Q><I unit="1/cm">8091.51</I><Idev unit="1/cm">149.908</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">9.4107e-05</Q><I unit="1/cm">7947.7</I><Idev unit="1/cm">148.184</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">9.9657e-05</Q><I unit="1/cm">8174.04</I><Idev unit="1/cm">149.824</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000105207</Q><I unit="1/cm">7890.52</I><Idev unit="1/cm">147.061</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000110757</Q><I unit="1/cm">8067.04</I><Idev unit="1/cm">74.9155</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000121857</Q><I unit="1/cm">7995.24</I><Idev unit="1/cm">74.0244</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000132957</Q><I unit="1/cm">7969.3</I><Idev unit="1/cm">73.7818</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000144057</Q><I unit="1/cm">7953.56</I><Idev unit="1/cm">73.6532</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000155157</Q><I unit="1/cm">7896.35</I><Idev unit="1/cm">73.3392</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000166257</Q><I unit="1/cm">7877.91</I><Idev unit="1/cm">73.1936</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000177357</Q><I unit="1/cm">7769.46</I><Idev unit="1/cm">72.6739</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000188457</Q><I unit="1/cm">7746.93</I><Idev unit="1/cm">72.5899</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000199557</Q><I unit="1/cm">7820.8</I><Idev unit="1/cm">72.9063</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000210657</Q><I unit="1/cm">7656.83</I><Idev unit="1/cm">72.1007</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000221757</Q><I unit="1/cm">7777.33</I><Idev unit="1/cm">72.6551</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000232857</Q><I unit="1/cm">7613.01</I><Idev unit="1/cm">71.8768</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000243957</Q><I unit="1/cm">7498.28</I><Idev unit="1/cm">71.316</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000255057</Q><I unit="1/cm">7494.75</I><Idev unit="1/cm">71.2836</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000266157</Q><I unit="1/cm">7266.92</I><Idev unit="1/cm">70.182</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000277257</Q><I unit="1/cm">7292.37</I><Idev unit="1/cm">57.4236</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000305007</Q><I unit="1/cm">7214.55</I><Idev unit="1/cm">57.0526</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000332757</Q><I unit="1/cm">7103.18</I><Idev unit="1/cm">56.5915</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000360507</Q><I unit="1/cm">6883.81</I><Idev unit="1/cm">55.7205</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000388257</Q><I unit="1/cm">6818.14</I><Idev unit="1/cm">55.4232</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000416007</Q><I unit="1/cm">6591.98</I><Idev unit="1/cm">54.4991</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000443757</Q><I unit="1/cm">6420.5</I><Idev unit="1/cm">53.7756</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000471507</Q><I unit="1/cm">6120.15</I><Idev unit="1/cm">52.5042</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000499257</Q><I unit="1/cm">5950.12</I><Idev unit="1/cm">51.7582</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000527007</Q><I unit="1/cm">5792.76</I><Idev unit="1/cm">51.0591</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000554757</Q><I unit="1/cm">5524.39</I><Idev unit="1/cm">43.2058</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000610257</Q><I unit="1/cm">5127.92</I><Idev unit="1/cm">41.599</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000665757</Q><I unit="1/cm">4753.49</I><Idev unit="1/cm">40.0733</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000721257</Q><I unit="1/cm">4355.25</I><Idev unit="1/cm">38.3487</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000776757</Q><I unit="1/cm">3878.25</I><Idev unit="1/cm">36.2076</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000832257</Q><I unit="1/cm">3471.25</I><Idev unit="1/cm">34.2637</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000887757</Q><I unit="1/cm">3022.77</I><Idev unit="1/cm">31.9597</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000943257</Q><I unit="1/cm">2600.33</I><Idev unit="1/cm">29.6463</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000998757</Q><I unit="1/cm">2309.11</I><Idev unit="1/cm">27.9459</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00105426</Q><I unit="1/cm">1975.45</I><Idev unit="1/cm">25.8603</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00110976</Q><I unit="1/cm">1701.57</I><Idev unit="1/cm">21.4532</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00122076</Q><I unit="1/cm">1156.72</I><Idev unit="1/cm">17.7038</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00133176</Q><I unit="1/cm">748.659</I><Idev unit="1/cm">14.2685</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00144276</Q><I unit="1/cm">465.515</I><Idev unit="1/cm">11.2799</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00155376</Q><I unit="1/cm">252.307</I><Idev unit="1/cm">8.35705</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00166476</Q><I unit="1/cm">157.822</I><Idev unit="1/cm">6.66382</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00177576</Q><I unit="1/cm">117.146</I><Idev unit="1/cm">5.78352</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00188676</Q><I unit="1/cm">93.1465</I><Idev unit="1/cm">5.19397</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00199776</Q><I unit="1/cm">103.864</I><Idev unit="1/cm">5.46342</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00210876</Q><I unit="1/cm">128.147</I><Idev unit="1/cm">6.0333</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00221976</Q><I unit="1/cm">135.96</I><Idev unit="1/cm">6.20529</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00233076</Q><I unit="1/cm">138.712</I><Idev unit="1/cm">6.26599</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00244176</Q><I unit="1/cm">126.272</I><Idev unit="1/cm">5.99155</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00255276</Q><I unit="1/cm">114.46</I><Idev unit="1/cm">5.72081</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00266376</Q><I unit="1/cm">74.2613</I><Idev unit="1/cm">4.67786</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00277476</Q><I unit="1/cm">72.3794</I><Idev unit="1/cm">4.62347</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00288576</Q><I unit="1/cm">47.3385</I><Idev unit="1/cm">3.82544</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00299676</Q><I unit="1/cm">36.0379</I><Idev unit="1/cm">3.40491</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00310776</Q><I unit="1/cm">30.3854</I><Idev unit="1/cm">3.17364</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00321876</Q><I unit="1/cm">24.7429</I><Idev unit="1/cm">2.92505</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00332976</Q><I unit="1/cm">28.5101</I><Idev unit="1/cm">3.09348</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00344076</Q><I unit="1/cm">27.9635</I><Idev unit="1/cm">3.06924</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00355176</Q><I unit="1/cm">33.3649</I><Idev unit="1/cm">3.29833</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00366276</Q><I unit="1/cm">35.237</I><Idev unit="1/cm">3.37337</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00377376</Q><I unit="1/cm">29.0365</I><Idev unit="1/cm">3.11578</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00388476</Q><I unit="1/cm">32.5455</I><Idev unit="1/cm">3.26424</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00399576</Q><I unit="1/cm">23.1284</I><Idev unit="1/cm">2.84982</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00410676</Q><I unit="1/cm">23.6642</I><Idev unit="1/cm">2.87489</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00421776</Q><I unit="1/cm">19.3575</I><Idev unit="1/cm">2.66567</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00432876</Q><I unit="1/cm">12.8971</I><Idev unit="1/cm">2.31662</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00443976</Q><I unit="1/cm">12.8958</I><Idev unit="1/cm">2.31647</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00455076</Q><I unit="1/cm">9.66256</I><Idev unit="1/cm">2.12012</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00466176</Q><I unit="1/cm">9.66792</I><Idev unit="1/cm">2.1208</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00477276</Q><I unit="1/cm">9.39793</I><Idev unit="1/cm">2.10354</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00488376</Q><I unit="1/cm">13.7138</I><Idev unit="1/cm">2.36412</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00499476</Q><I unit="1/cm">14.2495</I><Idev unit="1/cm">2.39427</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00510576</Q><I unit="1/cm">9.12935</I><Idev unit="1/cm">2.08632</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00521676</Q><I unit="1/cm">11.822</I><Idev unit="1/cm">2.25339</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00532776</Q><I unit="1/cm">10.7551</I><Idev unit="1/cm">2.18935</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00543876</Q><I unit="1/cm">11.8258</I><Idev unit="1/cm">2.25385</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00554976</Q><I unit="1/cm">8.04703</I><Idev unit="1/cm">2.01492</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ </SASdata>
+ <SASsample>
+ <ID></ID>
+ <thickness unit="mm">1</thickness>
+ <transmission>0.84031</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name></name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">2.38</wavelength>
+ </SASsource>
+ <SAScollimation>
+ </SAScollimation>
+ <SASdetector>
+ <name></name>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>
+ free form description of processing
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/sasview/test/1d_data/rpa_igor.txt b/sasview/test/1d_data/rpa_igor.txt
new file mode 100644
index 0000000..3db56bd
--- /dev/null
+++ b/sasview/test/1d_data/rpa_igor.txt
@@ -0,0 +1 @@
+xwave_rpa ywave_rpa
0.001 0.07168626925075851
0.001064117780747373 0.0716856413573938
0.001132346651302715 0.07168493030814455
0.001204950205620966 0.07168412508180971
0.001282208938716473 0.07168321319399358
0.001364421330321418 0.07168218050233569
0.001451904998026007 0.07168101098546385
0.001544997924355454 0.07167968649221848
0.001644059762524425 0.07167818645713674
0.001749473225913545 0.0716764875775549
0.001861645566636069 0.07167456344702462
0.001981010148906961 0.0716723841389624
0.002108028123292898 0.07166991573369859
0.002243190208311491 0.07166711978089996
0.002387018586262662 0.07166395268835914
0.002540068920616557 0.07166036502661252
0.002702932502751866 0.07165630073742939
0.00287623853633826 0.07165169623226372
0.003060656568188345 0.07164647936468646
0.003256899074970453 0.07164056825826785
0.003465724215775732 0.07163386996847262
0.003687938761173703 0.07162627895363945
0.003924401210072378 0.07161767532607596
0.004176025106424529 0.07160792284948068
0.004443782568593783 0.07159686664324522
0.004728708045015879 0.07158433054747737
0.005031902310664547 0.07157011409466472
0.005354536719761938 0.07155398902452134
0.0056978577311634 0.07153569526749293
0.00606319172389986 0.07151493630936183
0.00645195012148216 0.07149137383410067
0.006865634844764342 0.07146462152429117
0.007305844114432468 0.07143423787781071
0.007774278625536145 0.07139971787595621
0.008272748117917261 0.07136048331177156
0.008803178367920125 0.07131587155848847
0.009367618628394449 0.07126512252765335
0.009968249545734853 0.07120736353659575
0.01060739158454339 0.07114159177868211
0.01128751399246268 0.07106665407265171
0.01201124433981431 0.07098122356757139
0.01278137867089766 0.07088377310999594
0.01360089230616743 0.07077254505763607
0.01447295133702291 0.07064551747379136
0.01540092485761756 0.07050036689115366
0.01638839798094505 0.07033442823150102
0.01743918568948799 0.07014465305200397
0.01855734757393931 0.06992756809682003
0.01974720351693796 0.06967923717926586
0.02101335038241075 0.06939523066874713
0.0223606797749979 0.0690706081793277
0.02379439693817345 0.06869992118669545
0.02532004086407122 0.06827724280195649
0.02694350569270829 0.06779623122650313
0.02867106348327896 0.06725023092445773
0.03050938844549387 0.06663241100530941
0.0324655827245785 0.0659359341782422
0.03454720383954873 0.06515414349942344
0.03676229388076776 0.06428075057887213
0.03911941057958532 0.06331001060561323
0.04162766037009365 0.06223687746307689
0.04429673357072946 0.06105714401626844
0.0471369418216423 0.05976758284266592
0.05015925792246408 0.05836610525739253
0.05337535822438758 0.05685194898227711
0.05679766774033138 0.05522589039354298
0.06043940814746813 0.05349046275820364
0.06431464886756851 0.05165015303718731
0.06843836142250359 0.04971154826987741
0.07282647727490117 0.04768340623609461
0.07749594937741686 0.04557663131088652
0.08246481766840764 0.04340414380006791
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\ No newline at end of file
diff --git a/sasview/test/1d_data/saxess_example.pdh b/sasview/test/1d_data/saxess_example.pdh
new file mode 100755
index 0000000..c709d6e
--- /dev/null
+++ b/sasview/test/1d_data/saxess_example.pdh
@@ -0,0 +1,827 @@
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+ 4.996100E+00 7.602163E+03 7.720880E+03
+ 5.002700E+00 7.897189E+03 7.898568E+03
+<?xml version="1.0" encoding="utf-8"?>
+<fileinfo version="3.50">
+ <column key="X">
+ <value key="unit">n_m^-1</value>
+ <value key="quantity">SCATTERING_VECTOR</value>
+ </column>
+ <column key="Y">
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </column>
+ <parameter key="Concentration" type="rc" index="0">
+ <value key="name">Concentration</value>
+ <value key="value">0</value>
+ <value key="stddev">-1</value>
+ <value key="unit">g*l^-1</value>
+ <value key="quantity">CONCENTRATION_MASS</value>
+ </parameter>
+ <parameter key="Absorption">
+ <value key="name">Absorption</value>
+ <value key="value">1</value>
+ <value key="stddev">-1</value>
+ <value key="unit">u_m^-2</value>
+ <value key="quantity">COUNTS_PER_AREA</value>
+ </parameter>
+ <parameter key="InternalScalingFactor" type="rc" index="3">
+ <value key="name">InternalScalingFactor</value>
+ <value key="value">1</value>
+ <value key="stddev">-1</value>
+ <value key="unit">none</value>
+ <value key="quantity">NONE</value>
+ </parameter>
+ <parameter key="SampleDetector" type="rc" index="1">
+ <value key="name">SampleDetector</value>
+ <value key="value">261.2</value>
+ <value key="stddev">-1</value>
+ <value key="unit">m_m</value>
+ <value key="quantity">DISTANCE</value>
+ </parameter>
+ <parameter key="CounterSlitLength" type="rc" index="6">
+ <value key="name">CounterSlitLength</value>
+ <value key="value">5.63905460856387</value>
+ <value key="stddev">-1</value>
+ <value key="unit">n_m^-1</value>
+ <value key="quantity">SCATTERING_VECTOR</value>
+ </parameter>
+ <parameter key="Temperature" type="rc" index="5">
+ <value key="name">Temperature</value>
+ <value key="value">30</value>
+ <value key="stddev">-1</value>
+ <value key="unit">degC</value>
+ <value key="quantity">TEMPERATURE</value>
+ </parameter>
+ <parameter key="DetectorRadius">
+ <value key="name">DetectorRadius</value>
+ <value key="value">260</value>
+ <value key="stddev">-1</value>
+ <value key="unit">m_m</value>
+ <value key="quantity">DISTANCE</value>
+ </parameter>
+ <parameter key="Wavelength" type="rc" index="4">
+ <value key="name">Wavelength</value>
+ <value key="value">0.1542</value>
+ <value key="stddev">-1</value>
+ <value key="unit">n_m</value>
+ <value key="quantity">WAVELENGTH</value>
+ </parameter>
+ <parameter key="GammaRatio" type="rc" index="2">
+ <value key="name">GammaRatio</value>
+ <value key="value">0</value>
+ <value key="stddev">-1</value>
+ <value key="unit">none</value>
+ <value key="quantity">NONE</value>
+ </parameter>
+</fileinfo>
\ No newline at end of file
diff --git a/sasview/test/1d_data/sphere_60_q0_2.txt b/sasview/test/1d_data/sphere_60_q0_2.txt
new file mode 100644
index 0000000..6178aa2
--- /dev/null
+++ b/sasview/test/1d_data/sphere_60_q0_2.txt
@@ -0,0 +1,100 @@
+<X> <Y>
+0.0030303 8.98814e+007
+0.00606061 8.8112e+007
+0.00909091 8.52294e+007
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diff --git a/sasview/test/1d_data/sphere_80.txt b/sasview/test/1d_data/sphere_80.txt
new file mode 100644
index 0000000..3fdf063
--- /dev/null
+++ b/sasview/test/1d_data/sphere_80.txt
@@ -0,0 +1,100 @@
+<X> <Y>
+0.0010101 2.14186e+008
+0.0020202 2.13348e+008
+0.0030303 2.11958e+008
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diff --git a/sasview/test/1d_data/testdata_line.txt b/sasview/test/1d_data/testdata_line.txt
new file mode 100644
index 0000000..b8d51cd
--- /dev/null
+++ b/sasview/test/1d_data/testdata_line.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0 2.83954 0.6
+0.204082 3.44938 0.676531
+0.408163 5.82026 0.753061
+0.612245 5.27591 0.829592
+0.816327 5.2781 0.906122
+1.02041 5.22531 0.982653
+1.22449 7.47487 1.05918
+1.42857 7.85852 1.13571
+1.63265 10.2278 1.21224
+1.83673 8.33195 1.28878
+2.04082 9.22407 1.36531
+2.2449 7.95013 1.44184
+2.44898 10.0289 1.51837
+2.65306 11.0736 1.5949
+2.85714 12.2957 1.67143
+3.06122 12.3108 1.74796
+3.26531 12.6916 1.82449
+3.46939 12.5859 1.90102
+3.67347 14.5972 1.97755
+3.87755 10.9443 2.05408
+4.08163 11.4356 2.13061
+4.28571 19.3213 2.20714
+4.4898 14.3191 2.28367
+4.69388 14.6961 2.3602
+4.89796 19.27 2.43673
+5.10204 12.1831 2.51327
+5.30612 21.4745 2.5898
+5.5102 20.0393 2.66633
+5.71429 13.2472 2.74286
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diff --git a/sasview/test/1d_data/testdata_line3.txt b/sasview/test/1d_data/testdata_line3.txt
new file mode 100644
index 0000000..11bfbbf
--- /dev/null
+++ b/sasview/test/1d_data/testdata_line3.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
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diff --git a/sasview/test/2d_data/14250_2D_NoDetInfo_NXcanSAS_v3.h5 b/sasview/test/2d_data/14250_2D_NoDetInfo_NXcanSAS_v3.h5
new file mode 100644
index 0000000..28b7323
Binary files /dev/null and b/sasview/test/2d_data/14250_2D_NoDetInfo_NXcanSAS_v3.h5 differ
diff --git a/sasview/test/2d_data/2P_New.sans b/sasview/test/2d_data/2P_New.sans
new file mode 100644
index 0000000..be124c8
--- /dev/null
+++ b/sasview/test/2d_data/2P_New.sans
@@ -0,0 +1,16393 @@
+FORMATVERSION:2
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+DISTANCE:5.41499
+CENTER_X:68.74
+CENTER_Y:64.77
+PIXELSIZE:5.0
+SIZE_X:128
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\ No newline at end of file
diff --git a/sasview/test/2d_data/33837rear_2D_1.75_16.5_NIST.dat b/sasview/test/2d_data/33837rear_2D_1.75_16.5_NIST.dat
new file mode 100644
index 0000000..675bf91
--- /dev/null
+++ b/sasview/test/2d_data/33837rear_2D_1.75_16.5_NIST.dat
@@ -0,0 +1,22502 @@
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diff --git a/sasview/test/2d_data/33837rear_2D_1.75_16.5_NXcanSAS.h5 b/sasview/test/2d_data/33837rear_2D_1.75_16.5_NXcanSAS.h5
new file mode 100644
index 0000000..3ed2807
Binary files /dev/null and b/sasview/test/2d_data/33837rear_2D_1.75_16.5_NXcanSAS.h5 differ
diff --git a/sasview/test/2d_data/33837rear_2D_1.75_16.5_NXcanSAS_v3.h5 b/sasview/test/2d_data/33837rear_2D_1.75_16.5_NXcanSAS_v3.h5
new file mode 100644
index 0000000..17b48fe
Binary files /dev/null and b/sasview/test/2d_data/33837rear_2D_1.75_16.5_NXcanSAS_v3.h5 differ
diff --git a/sasview/test/2d_data/Dec07031.ASC b/sasview/test/2d_data/Dec07031.ASC
new file mode 100644
index 0000000..39ece42
--- /dev/null
+++ b/sasview/test/2d_data/Dec07031.ASC
@@ -0,0 +1,16403 @@
+FILE: Dec07031.SA2_LP _P322 CREATED: 7-DEC-2007 15:38:16
+LABEL: Scatt 13.5m lamellar 65% 2011-7 28degrees
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+6.6207e+06 6 0 13.5 0.63053 0.1
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+66.22 62.37 50 12.7 14.729 0.124 76.2 ORNL
+SAM: RAW Data File: Dec07031.SA2_LP _P322
+BGD: none
+EMP: none
+DIV: none
+MASK: none
+ABS Parameters (3-6): none
+Average Choices: none
+
+*** Data written from RAW folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Mon, Jan 25, 2010 6:58:01 PM
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diff --git a/sasview/test/2d_data/HiResSAN14.ASC b/sasview/test/2d_data/HiResSAN14.ASC
new file mode 100644
index 0000000..811b1cc
--- /dev/null
+++ b/sasview/test/2d_data/HiResSAN14.ASC
@@ -0,0 +1,36883 @@
+FILE: HiResSANS_exp18_scan0014_0001 CREATED: 2008-02-11 18:52:06
+LABEL: Scatt 3m 6A cho
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+3.6874e+05 6 1 3 1 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+20.981 95.891 60 40 17.495 0.13 76 ORNL CG-2
+SAM: RAW Data File: HiResSANS_exp18_scan0014_0001
+BGD: none
+EMP: none
+DIV: none
+MASK: none
+ABS Parameters (3-6): none
+Average Choices: none
+
+*** Data written from RAW folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Wed, Jan 14, 2009 3:28:21 PM
+
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diff --git a/sasview/test/2d_data/MAR07262.ASC b/sasview/test/2d_data/MAR07262.ASC
new file mode 100644
index 0000000..7c2cf79
--- /dev/null
+++ b/sasview/test/2d_data/MAR07262.ASC
@@ -0,0 +1,16403 @@
+FILE: MAR07262.SA3_LP _V978 CREATED: Tuesday, Mar 13, 2007 12:42:07 PM
+LABEL: 13m Rad 250Pa Fib1 Th 0.16 PH7.4 Ca 2.5mM
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+1e+08 8.4 0 13.705 0.84357 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+68.76 62.47 38 17.5 15.723 0.142 76.2 ORNL
+SAM: MAR07262.SA3_LP _V978
+BGD: MAR07171.SA3_LP_V887,
+EMP: MAR07060.SA3_LP_V776,MAR07061.SA3_LP_V777,
+DIV: PLEX_04JAN07_NG3.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=84.433;XSECT=1
+Average Choices: AVTYPE=2D_ASCII;SAVE=Yes;NAME=Auto;PLOT=Yes;
+
+*** Data written from ABS folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Tuesday, Mar 13, 2007 12:42:07 PM
+
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diff --git a/sasview/test/2d_data/P123_D2O_10_percent.dat b/sasview/test/2d_data/P123_D2O_10_percent.dat
new file mode 100644
index 0000000..2e4ca95
--- /dev/null
+++ b/sasview/test/2d_data/P123_D2O_10_percent.dat
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diff --git a/sasview/test/2d_data/P123_D2O_30_percent.dat b/sasview/test/2d_data/P123_D2O_30_percent.dat
new file mode 100644
index 0000000..db34293
--- /dev/null
+++ b/sasview/test/2d_data/P123_D2O_30_percent.dat
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diff --git a/sasview/test/2d_data/P123_D2O_40_percent.dat b/sasview/test/2d_data/P123_D2O_40_percent.dat
new file mode 100644
index 0000000..0af7a6a
--- /dev/null
+++ b/sasview/test/2d_data/P123_D2O_40_percent.dat
@@ -0,0 +1,10002 @@
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diff --git a/sasview/test/2d_data/P_New.sans b/sasview/test/2d_data/P_New.sans
new file mode 100644
index 0000000..be124c8
--- /dev/null
+++ b/sasview/test/2d_data/P_New.sans
@@ -0,0 +1,16393 @@
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\ No newline at end of file
diff --git a/sasview/test/2d_data/SILIC009.ASC b/sasview/test/2d_data/SILIC009.ASC
new file mode 100644
index 0000000..730e155
--- /dev/null
+++ b/sasview/test/2d_data/SILIC009.ASC
@@ -0,0 +1,16403 @@
+FILE: SILIC009.SA3_SRK_S109 CREATED: 22-JAN-2008 02:39:11
+LABEL: Silica 2 pct in D2O Scatt 1.3M
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+7.6329e+06 6 20 1.33 1 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+106.8 64.59 50 3 5.4675 0.142 50.8 ORNL
+SAM: RAW Data File: SILIC009.SA3_SRK_S109
+BGD: none
+EMP: none
+DIV: none
+MASK: none
+ABS Parameters (3-6): none
+Average Choices: none
+
+*** Data written from RAW folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Wed, Jan 14, 2009 5:16:36 PM
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diff --git a/sasview/test/2d_data/SILIC010.DAT b/sasview/test/2d_data/SILIC010.DAT
new file mode 100644
index 0000000..10c0bd0
--- /dev/null
+++ b/sasview/test/2d_data/SILIC010.DAT
@@ -0,0 +1,16403 @@
+FILE: SILIC010.SA3_SRK_S110 CREATED: 22-JAN-2008 02:45:55
+LABEL: Silica 2 pct in D2O Scatt 4M
+MON CNT LAMBDA (A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+4.4712e+06 6 0 4 0.72452 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+68.15 64.79 50 3 8.5505 0.142 50.8 ORNL
+SAM: RAW Data File: SILIC010.SA3_SRK_S110
+BGD: none
+EMP: none
+DIV: none
+MASK: none
+ABS Parameters (3-6): none
+Average Choices: none
+
+*** Data written from RAW folder and may not be a fully corrected data file ***
+Data columns are Qx - Qy - I(Qx,Qy) - Qz - SigmaQx - SigmaQy - fSubS(beam stop shadow)
+
+ASCII data created Tue, Mar 09, 2010 3:40:01 PM
+
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diff --git a/sasview/test/2d_data/SILIC010_noheader.DAT b/sasview/test/2d_data/SILIC010_noheader.DAT
new file mode 100644
index 0000000..e6451b6
--- /dev/null
+++ b/sasview/test/2d_data/SILIC010_noheader.DAT
@@ -0,0 +1,16386 @@
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diff --git a/sasview/test/2d_data/SILIC010_noheader_3col.DAT b/sasview/test/2d_data/SILIC010_noheader_3col.DAT
new file mode 100644
index 0000000..0149577
--- /dev/null
+++ b/sasview/test/2d_data/SILIC010_noheader_3col.DAT
@@ -0,0 +1,16386 @@
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diff --git a/sasview/test/2d_data/exp18_14_igor_2dqxqy.dat b/sasview/test/2d_data/exp18_14_igor_2dqxqy.dat
new file mode 100644
index 0000000..af748b4
--- /dev/null
+++ b/sasview/test/2d_data/exp18_14_igor_2dqxqy.dat
@@ -0,0 +1,36883 @@
+FILE: HiResSANS_exp18_scan0014_0001.xml CREATED: Mon, Feb 22, 2010 5:36:16 PM
+LABEL: Scatt 3m 6A cho
+MON CNT LAMBDA (A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+1e+08 6 0 3 1 0
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+21.167 95.978 0 4 17.495 0.1 76 HiResSANS
+SAM: HiResSANS_exp18_scan0014_0001.xml
+BGD: Unknown file from Average_Panel
+EMP: Unknown file from Average_Panel
+DIV: Unknown file from Average_Panel
+MASK: Unknown file from Average_Panel
+ABS Parameters (3-6): Unknown file from Average_Panel
+Average Choices: Unknown file from Average_Panel
+
+*** Data written from COR folder and may not be a fully corrected data file ***
+Data columns are Qx - Qy - I(Qx,Qy) - Qz - SigmaQx - SigmaQy - fSubS(beam stop shadow)
+
+ASCII data created Mon, Feb 22, 2010 5:39:51 PM
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diff --git a/sasview/test/README.txt b/sasview/test/README.txt
new file mode 100644
index 0000000..0bdc8ae
--- /dev/null
+++ b/sasview/test/README.txt
@@ -0,0 +1,13 @@
+Test data sets are included as a convenience to our users. The data sets are organized based on their data structure; 1D data (ie, I(Q)), 2D data (ie, I(Qx,Qy)), coordinate data (eg, PDB files), image data (eg, TIFF files), SasView saved states, SESANS data, and data in formats that are not yet implemented but which are in the works for future releases.
+
+1D data sets EITHER a) have at least two columns of data with I(abs. units) on the y-axis and Q on the x-axis, OR b) have I and Q in separate files. Data in the latter format (/convertible_files) need to be converted to a single file format with the File Converter tool before SasView will analyse them.
+
+2D data sets are data sets that give the deduced intensity for each detector pixel. Depending on the file extension, uncertainty and metadata may also be available.
+
+Coordinate data sets are designed to be read by the Generic Scattering Calculator tool.
+
+Image data sets are designed to be read by the Image Viewer tool.
+
+Save states are projects and analyses saved by the SASVIEW program. A single analysis file contains the data and parameters for a single fit (.fit), p(r) inversion (.pr), or invariant calculation (.inv). A project file (.svs) contains the results for every active analysis.
+
+SESANS data sets primarily contain the neutron polarisation as a function of the spin-echo length.
diff --git a/sasview/test/convertible_files/APS_X.TXT b/sasview/test/convertible_files/APS_X.TXT
new file mode 100644
index 0000000..0de209f
--- /dev/null
+++ b/sasview/test/convertible_files/APS_X.TXT
@@ -0,0 +1,537 @@
+ 0.63400E-002,
+ 0.69200E-002,
+ 0.74900E-002,
+ 0.80700E-002,
+ 0.86500E-002,
+ 0.92200E-002,
+ 0.98000E-002,
+ 0.10380E-001,
+ 0.10950E-001,
+ 0.11530E-001,
+ 0.12110E-001,
+ 0.12680E-001,
+ 0.13260E-001,
+ 0.13840E-001,
+ 0.14410E-001,
+ 0.14990E-001,
+ 0.15560E-001,
+ 0.16140E-001,
+ 0.16720E-001,
+ 0.17290E-001,
+ 0.17870E-001,
+ 0.18450E-001,
+ 0.19020E-001,
+ 0.19600E-001,
+ 0.20180E-001,
+ 0.20750E-001,
+ 0.21330E-001,
+ 0.21910E-001,
+ 0.22480E-001,
+ 0.23060E-001,
+ 0.23640E-001,
+ 0.24210E-001,
+ 0.24790E-001,
+ 0.25360E-001,
+ 0.25940E-001,
+ 0.26520E-001,
+ 0.27090E-001,
+ 0.27670E-001,
+ 0.28250E-001,
+ 0.28820E-001,
+ 0.29400E-001,
+ 0.29980E-001,
+ 0.30550E-001,
+ 0.31130E-001,
+ 0.31710E-001,
+ 0.32280E-001,
+ 0.32860E-001,
+ 0.33430E-001,
+ 0.34010E-001,
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diff --git a/sasview/test/convertible_files/APS_Y.TXT b/sasview/test/convertible_files/APS_Y.TXT
new file mode 100644
index 0000000..4bc4635
--- /dev/null
+++ b/sasview/test/convertible_files/APS_Y.TXT
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diff --git a/sasview/test/convertible_files/FIT2D_I.TXT b/sasview/test/convertible_files/FIT2D_I.TXT
new file mode 100644
index 0000000..a6d4c67
--- /dev/null
+++ b/sasview/test/convertible_files/FIT2D_I.TXT
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+# End: Segment
diff --git a/sasview/test/coordinate_data/diamond.pdb b/sasview/test/coordinate_data/diamond.pdb
new file mode 100644
index 0000000..1a94bc1
--- /dev/null
+++ b/sasview/test/coordinate_data/diamond.pdb
@@ -0,0 +1,623 @@
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+ATOM 166 C ??? 1 2.121 10.607 8.485
+ATOM 167 C ??? 1 6.364 10.607 8.485
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+ATOM 172 C ??? 1 10.607 14.849 8.485
+ATOM 173 C ??? 1 14.849 14.849 8.485
+ATOM 174 C ??? 1 2.121 2.121 12.728
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+ATOM 176 C ??? 1 10.607 2.121 12.728
+ATOM 177 C ??? 1 14.849 2.121 12.728
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+ATOM 190 C ??? 1 2.121 2.121 16.971
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+ATOM 587 C ??? 1 7.425 15.910 5.303
+ATOM 588 C ??? 1 11.667 15.910 5.303
+ATOM 589 C ??? 1 15.910 15.910 5.303
+ATOM 590 C ??? 1 3.182 3.182 9.546
+ATOM 591 C ??? 1 7.425 3.182 9.546
+ATOM 592 C ??? 1 11.667 3.182 9.546
+ATOM 593 C ??? 1 15.910 3.182 9.546
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+ATOM 597 C ??? 1 15.910 7.425 9.546
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+ATOM 600 C ??? 1 11.667 11.667 9.546
+ATOM 601 C ??? 1 15.910 11.667 9.546
+ATOM 602 C ??? 1 3.182 15.910 9.546
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+ATOM 604 C ??? 1 11.667 15.910 9.546
+ATOM 605 C ??? 1 15.910 15.910 9.546
+ATOM 606 C ??? 1 3.182 3.182 13.789
+ATOM 607 C ??? 1 7.425 3.182 13.789
+ATOM 608 C ??? 1 11.667 3.182 13.789
+ATOM 609 C ??? 1 15.910 3.182 13.789
+ATOM 610 C ??? 1 3.182 7.425 13.789
+ATOM 611 C ??? 1 7.425 7.425 13.789
+ATOM 612 C ??? 1 11.667 7.425 13.789
+ATOM 613 C ??? 1 15.910 7.425 13.789
+ATOM 614 C ??? 1 3.182 11.667 13.789
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+ATOM 616 C ??? 1 11.667 11.667 13.789
+ATOM 617 C ??? 1 15.910 11.667 13.789
+ATOM 618 C ??? 1 3.182 15.910 13.789
+ATOM 619 C ??? 1 7.425 15.910 13.789
+ATOM 620 C ??? 1 11.667 15.910 13.789
+ATOM 621 C ??? 1 15.910 15.910 13.789
diff --git a/sasview/test/coordinate_data/dna.pdb b/sasview/test/coordinate_data/dna.pdb
new file mode 100644
index 0000000..83c2866
--- /dev/null
+++ b/sasview/test/coordinate_data/dna.pdb
@@ -0,0 +1,975 @@
+HEADER Aqua:Gervay:chem242:dna.mmc
+COMPND No name
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+ATOM 345 O ??? 1 5.978 -4.099 -6.859
+ATOM 346 O ??? 1 5.021 -5.615 -8.756
+ATOM 347 O ??? 1 3.560 -4.533 -7.033
+ATOM 348 C ??? 1 2.362 -5.321 -7.154
+ATOM 349 C ??? 1 1.273 -4.376 -6.720
+ATOM 350 O ??? 1 1.389 -4.141 -5.316
+ATOM 351 C ??? 1 1.322 -2.993 -7.366
+ATOM 352 O ??? 1 0.329 -2.831 -8.391
+ATOM 353 C ??? 1 1.333 -1.991 -6.194
+ATOM 354 C ??? 1 0.897 -2.852 -5.006
+ATOM 355 N ??? 1 1.537 -2.528 -3.709
+ATOM 356 C ??? 1 2.863 -2.388 -3.374
+ATOM 357 N ??? 1 3.059 -2.100 -2.081
+ATOM 358 C ??? 1 1.825 -2.100 -1.562
+ATOM 359 C ??? 1 1.312 -1.785 -0.242
+ATOM 360 N ??? 1 2.105 -1.419 0.792
+ATOM 361 N ??? 1 -0.035 -1.681 -0.088
+ATOM 362 C ??? 1 -0.863 -1.975 -1.112
+ATOM 363 N ??? 1 -0.516 -2.341 -2.360
+ATOM 364 C ??? 1 0.871 -2.352 -2.537
+ATOM 365 P ??? 1 0.096 -1.455 -9.141
+ATOM 366 O ??? 1 1.403 -0.827 -9.454
+ATOM 367 O ??? 1 -0.784 -1.681 -10.328
+ATOM 368 O ??? 1 -0.708 -0.618 -8.042
+ATOM 369 C ??? 1 -2.026 -1.063 -7.621
+ATOM 370 C ??? 1 -2.460 -0.283 -6.398
+ATOM 371 O ??? 1 -1.482 -0.424 -5.323
+ATOM 372 C ??? 1 -2.702 1.209 -6.627
+ATOM 373 O ??? 1 -4.034 1.463 -6.980
+ATOM 374 C ??? 1 -2.262 1.804 -5.316
+ATOM 375 C ??? 1 -1.039 0.909 -5.075
+ATOM 376 N ??? 1 -0.210 0.993 -3.836
+ATOM 377 C ??? 1 -0.736 1.017 -2.546
+ATOM 378 O ??? 1 -1.957 0.851 -2.314
+ATOM 379 N ??? 1 0.164 1.108 -1.498
+ATOM 380 C ??? 1 1.538 1.199 -1.677
+ATOM 381 O ??? 1 2.250 1.226 -0.672
+ATOM 382 C ??? 1 2.054 1.179 -2.992
+ATOM 383 C ??? 1 3.521 1.367 -3.242
+ATOM 384 C ??? 1 1.153 1.065 -4.071
+ATOM 385 P ??? 1 -4.609 2.928 -7.269
+ATOM 386 O ??? 1 -3.623 3.841 -7.848
+ATOM 387 O ??? 1 -5.862 2.588 -8.032
+ATOM 388 O ??? 1 -4.884 3.503 -5.838
+ATOM 389 C ??? 1 -5.822 2.805 -4.954
+ATOM 390 C ??? 1 -5.829 3.570 -3.680
+ATOM 391 O ??? 1 -4.506 3.511 -3.227
+ATOM 392 C ??? 1 -6.172 5.046 -3.735
+ATOM 393 O ??? 1 -7.441 5.291 -3.123
+ATOM 394 C ??? 1 -5.006 5.747 -3.052
+ATOM 395 C ??? 1 -4.274 4.597 -2.370
+ATOM 396 N ??? 1 -2.767 4.703 -2.324
+ATOM 397 C ??? 1 -2.085 4.842 -1.117
+ATOM 398 O ??? 1 -2.678 5.024 -0.043
+ATOM 399 N ??? 1 -0.697 4.808 -1.172
+ATOM 400 C ??? 1 0.014 4.669 -2.366
+ATOM 401 O ??? 1 1.237 4.636 -2.312
+ATOM 402 C ??? 1 -0.682 4.595 -3.576
+ATOM 403 C ??? 1 0.027 4.511 -4.924
+ATOM 404 C ??? 1 -2.079 4.607 -3.526
+ATOM 405 P ??? 1 -8.018 6.766 -2.948
+ATOM 406 O ??? 1 -7.635 7.566 -4.152
+ATOM 407 O ??? 1 -9.476 6.706 -2.680
+ATOM 408 O ??? 1 -7.320 7.281 -1.652
+ATOM 409 C ??? 1 -7.634 6.745 -0.332
+ATOM 410 C ??? 1 -6.740 7.536 0.578
+ATOM 411 O ??? 1 -5.356 7.300 0.129
+ATOM 412 C ??? 1 -6.992 9.072 0.483
+ATOM 413 O ??? 1 -7.500 9.642 1.681
+ATOM 414 C ??? 1 -5.648 9.640 0.010
+ATOM 415 C ??? 1 -4.683 8.515 0.475
+ATOM 416 N ??? 1 -3.379 8.489 -0.149
+ATOM 417 C ??? 1 -2.166 8.504 0.541
+ATOM 418 O ??? 1 -2.158 8.517 1.779
+ATOM 419 N ??? 1 -1.010 8.423 -0.184
+ATOM 420 C ??? 1 -1.042 8.316 -1.562
+ATOM 421 N ??? 1 0.083 8.179 -2.370
+ATOM 422 C ??? 1 -2.249 8.284 -2.244
+ATOM 423 C ??? 1 -3.426 8.372 -1.520
+ATOM 424 P ??? 1 -8.072 11.149 1.769
+ATOM 425 O ??? 1 -8.359 11.946 0.569
+ATOM 426 O ??? 1 -9.253 11.131 2.697
+ATOM 427 O ??? 1 -6.842 11.901 2.427
+ATOM 428 C ??? 1 -6.195 11.442 3.679
+ATOM 429 C ??? 1 -4.912 12.282 3.817
+ATOM 430 O ??? 1 -3.876 11.994 2.873
+ATOM 431 C ??? 1 -5.090 13.728 3.629
+ATOM 432 O ??? 1 -4.492 14.502 4.643
+ATOM 433 C ??? 1 -4.542 14.026 2.249
+ATOM 434 C ??? 1 -3.391 13.126 2.230
+ATOM 435 N ??? 1 -2.856 12.707 0.897
+ATOM 436 C ??? 1 -3.473 12.442 -0.319
+ATOM 437 N ??? 1 -2.637 12.015 -1.293
+ATOM 438 C ??? 1 -1.436 12.007 -0.688
+ATOM 439 C ??? 1 -0.127 11.608 -1.179
+ATOM 440 O ??? 1 0.172 11.212 -2.291
+ATOM 441 N ??? 1 0.874 11.683 -0.204
+ATOM 442 C ??? 1 0.686 12.119 1.100
+ATOM 443 N ??? 1 1.749 12.103 1.939
+ATOM 444 N ??? 1 -0.519 12.555 1.528
+ATOM 445 C ??? 1 -1.544 12.446 0.633
+ATOM 446 P ??? 1 -5.127 15.894 4.858
+ATOM 447 O ??? 1 -5.425 16.629 3.561
+ATOM 448 O ??? 1 -6.250 15.527 5.754
+ATOM 449 O ??? 1 -4.002 16.793 5.584
+ATOM 450 C ??? 1 -3.238 16.255 6.678
+ATOM 451 C ??? 1 -1.830 16.039 6.216
+ATOM 452 O ??? 1 -1.871 15.509 4.883
+ATOM 453 C ??? 1 -0.873 17.253 6.173
+ATOM 454 O ??? 1 -0.153 17.520 7.416
+ATOM 455 C ??? 1 0.090 16.942 5.027
+ATOM 456 C ??? 1 -0.595 15.819 4.260
+ATOM 457 N ??? 1 -0.730 16.057 2.785
+ATOM 458 C ??? 1 0.227 15.578 1.903
+ATOM 459 O ??? 1 1.293 15.046 2.291
+ATOM 460 N ??? 1 -0.055 15.614 0.600
+ATOM 461 C ??? 1 -1.197 16.106 0.107
+ATOM 462 N ??? 1 -1.457 15.971 -1.213
+ATOM 463 C ??? 1 -2.157 16.670 0.937
+ATOM 464 C ??? 1 -1.890 16.634 2.320
+ATOM 465 P ??? 1 0.085 19.035 7.891
+ATOM 466 O ??? 1 -1.103 19.918 7.465
+ATOM 467 O ??? 1 0.455 19.118 9.333
+ATOM 468 O ??? 1 1.304 19.503 6.967
+ATOM 469 C ??? 1 2.588 19.092 7.215
+ATOM 470 C ??? 1 3.346 19.369 5.986
+ATOM 471 O ??? 1 2.968 18.509 4.924
+ATOM 472 C ??? 1 3.325 20.751 5.383
+ATOM 473 O ??? 1 3.907 21.749 6.266
+ATOM 474 C ??? 1 4.203 20.393 4.162
+ATOM 475 C ??? 1 3.516 19.074 3.711
+ATOM 476 N ??? 1 2.407 19.227 2.697
+ATOM 477 C ??? 1 1.165 19.783 2.799
+ATOM 478 N ??? 1 0.472 19.784 1.639
+ATOM 479 C ??? 1 1.290 19.206 0.763
+ATOM 480 C ??? 1 1.097 18.852 -0.624
+ATOM 481 O ??? 1 0.123 18.893 -1.321
+ATOM 482 N ??? 1 2.227 18.334 -1.206
+ATOM 483 C ??? 1 3.438 18.092 -0.570
+ATOM 484 N ??? 1 4.500 17.628 -1.280
+ATOM 485 N ??? 1 3.571 18.322 0.734
+ATOM 486 C ??? 1 2.483 18.897 1.373
+CONECT 1 2
+CONECT 2 1 3
+CONECT 3 2 4 5
+CONECT 4 3 8
+CONECT 5 3 6 7
+CONECT 6 5 17
+CONECT 7 5 8
+CONECT 8 4 7 9
+CONECT 9 8 10 16
+CONECT 10 9 11 12
+CONECT 11 10
+CONECT 12 10 13
+CONECT 13 12 14 15
+CONECT 14 13
+CONECT 15 13 16
+CONECT 16 9 15
+CONECT 17 6 18 19 20
+CONECT 18 17
+CONECT 19 17
+CONECT 20 17 21
+CONECT 21 20 22
+CONECT 22 21 23 24
+CONECT 23 22 27
+CONECT 24 22 25 26
+CONECT 25 24 39
+CONECT 26 24 27
+CONECT 27 23 26 28
+CONECT 28 27 29 38
+CONECT 29 28 30
+CONECT 30 29 31
+CONECT 31 30 32 38
+CONECT 32 31 33 34
+CONECT 33 32
+CONECT 34 32 35
+CONECT 35 34 36 37
+CONECT 36 35
+CONECT 37 35 38
+CONECT 38 28 31 37
+CONECT 39 25 40 41 42
+CONECT 40 39
+CONECT 41 39
+CONECT 42 39 43
+CONECT 43 42 44
+CONECT 44 43 45 46
+CONECT 45 44 49
+CONECT 46 44 47 48
+CONECT 47 46 58
+CONECT 48 46 49
+CONECT 49 45 48 50
+CONECT 50 49 51 57
+CONECT 51 50 52 53
+CONECT 52 51
+CONECT 53 51 54
+CONECT 54 53 55 56
+CONECT 55 54
+CONECT 56 54 57
+CONECT 57 50 56
+CONECT 58 47 59 60 61
+CONECT 59 58
+CONECT 60 58
+CONECT 61 58 62
+CONECT 62 61 63
+CONECT 63 62 64 65
+CONECT 64 63 68
+CONECT 65 63 66 67
+CONECT 66 65 80
+CONECT 67 65 68
+CONECT 68 64 67 69
+CONECT 69 68 70 79
+CONECT 70 69 71
+CONECT 71 70 72
+CONECT 72 71 73 79
+CONECT 73 72 74 75
+CONECT 74 73
+CONECT 75 73 76
+CONECT 76 75 77 78
+CONECT 77 76
+CONECT 78 76 79
+CONECT 79 69 72 78
+CONECT 80 66 81 82 83
+CONECT 81 80
+CONECT 82 80
+CONECT 83 80 84
+CONECT 84 83 85
+CONECT 85 84 86 87
+CONECT 86 85 90
+CONECT 87 85 88 89
+CONECT 88 87 101
+CONECT 89 87 90
+CONECT 90 86 89 91
+CONECT 91 90 92 100
+CONECT 92 91 93
+CONECT 93 92 94
+CONECT 94 93 95 100
+CONECT 95 94 96 97
+CONECT 96 95
+CONECT 97 95 98
+CONECT 98 97 99
+CONECT 99 98 100
+CONECT 100 91 94 99
+CONECT 101 88 102 103 104
+CONECT 102 101
+CONECT 103 101
+CONECT 104 101 105
+CONECT 105 104 106
+CONECT 106 105 107 108
+CONECT 107 106 111
+CONECT 108 106 109 110
+CONECT 109 108 122
+CONECT 110 108 111
+CONECT 111 107 110 112
+CONECT 112 111 113 121
+CONECT 113 112 114
+CONECT 114 113 115
+CONECT 115 114 116 121
+CONECT 116 115 117 118
+CONECT 117 116
+CONECT 118 116 119
+CONECT 119 118 120
+CONECT 120 119 121
+CONECT 121 112 115 120
+CONECT 122 109 123 124 125
+CONECT 123 122
+CONECT 124 122
+CONECT 125 122 126
+CONECT 126 125 127
+CONECT 127 126 128 129
+CONECT 128 127 132
+CONECT 129 127 130 131
+CONECT 130 129 142
+CONECT 131 129 132
+CONECT 132 128 131 133
+CONECT 133 132 134 141
+CONECT 134 133 135 136
+CONECT 135 134
+CONECT 136 134 137
+CONECT 137 136 138 139
+CONECT 138 137
+CONECT 139 137 140 141
+CONECT 140 139
+CONECT 141 133 139
+CONECT 142 130 143 144 145
+CONECT 143 142
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+CONECT 145 142 146
+CONECT 146 145 147
+CONECT 147 146 148 149
+CONECT 148 147 152
+CONECT 149 147 150 151
+CONECT 150 149 162
+CONECT 151 149 152
+CONECT 152 148 151 153
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+CONECT 154 153 155 156
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+CONECT 158 157
+CONECT 159 157 160 161
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+CONECT 161 153 159
+CONECT 162 150 163 164 165
+CONECT 163 162
+CONECT 164 162
+CONECT 165 162 166
+CONECT 166 165 167
+CONECT 167 166 168 169
+CONECT 168 167 172
+CONECT 169 167 170 171
+CONECT 170 169 181
+CONECT 171 169 172
+CONECT 172 168 171 173
+CONECT 173 172 174 180
+CONECT 174 173 175 176
+CONECT 175 174
+CONECT 176 174 177
+CONECT 177 176 178 179
+CONECT 178 177
+CONECT 179 177 180
+CONECT 180 173 179
+CONECT 181 170 182 183 184
+CONECT 182 181
+CONECT 183 181
+CONECT 184 181 185
+CONECT 185 184 186
+CONECT 186 185 187 188
+CONECT 187 186 191
+CONECT 188 186 189 190
+CONECT 189 188 203
+CONECT 190 188 191
+CONECT 191 187 190 192
+CONECT 192 191 193 202
+CONECT 193 192 194
+CONECT 194 193 195
+CONECT 195 194 196 202
+CONECT 196 195 197 198
+CONECT 197 196
+CONECT 198 196 199
+CONECT 199 198 200 201
+CONECT 200 199
+CONECT 201 199 202
+CONECT 202 192 195 201
+CONECT 203 189 204 205 206
+CONECT 204 203
+CONECT 205 203
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+CONECT 207 206 208
+CONECT 208 207 209 210
+CONECT 209 208 213
+CONECT 210 208 211 212
+CONECT 211 210 222
+CONECT 212 210 213
+CONECT 213 209 212 214
+CONECT 214 213 215 221
+CONECT 215 214 216 217
+CONECT 216 215
+CONECT 217 215 218
+CONECT 218 217 219 220
+CONECT 219 218
+CONECT 220 218 221
+CONECT 221 214 220
+CONECT 222 211 223 224 225
+CONECT 223 222
+CONECT 224 222
+CONECT 225 222 226
+CONECT 226 225 227
+CONECT 227 226 228 229
+CONECT 228 227 232
+CONECT 229 227 230 231
+CONECT 230 229
+CONECT 231 229 232
+CONECT 232 228 231 233
+CONECT 233 232 234 243
+CONECT 234 233 235
+CONECT 235 234 236
+CONECT 236 235 237 243
+CONECT 237 236 238 239
+CONECT 238 237
+CONECT 239 237 240
+CONECT 240 239 241 242
+CONECT 241 240
+CONECT 242 240 243
+CONECT 243 233 236 242
+CONECT 244 245
+CONECT 245 244 246
+CONECT 246 245 247 248
+CONECT 247 246 251
+CONECT 248 246 249 250
+CONECT 249 248 260
+CONECT 250 248 251
+CONECT 251 247 250 252
+CONECT 252 251 253 259
+CONECT 253 252 254 255
+CONECT 254 253
+CONECT 255 253 256
+CONECT 256 255 257 258
+CONECT 257 256
+CONECT 258 256 259
+CONECT 259 252 258
+CONECT 260 249 261 262 263
+CONECT 261 260
+CONECT 262 260
+CONECT 263 260 264
+CONECT 264 263 265
+CONECT 265 264 266 267
+CONECT 266 265 270
+CONECT 267 265 268 269
+CONECT 268 267 282
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+CONECT 270 266 269 271
+CONECT 271 270 272 281
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+CONECT 273 272 274
+CONECT 274 273 275 281
+CONECT 275 274 276 277
+CONECT 276 275
+CONECT 277 275 278
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+CONECT 279 278
+CONECT 280 278 281
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+CONECT 282 268 283 284 285
+CONECT 283 282
+CONECT 284 282
+CONECT 285 282 286
+CONECT 286 285 287
+CONECT 287 286 288 289
+CONECT 288 287 292
+CONECT 289 287 290 291
+CONECT 290 289 301
+CONECT 291 289 292
+CONECT 292 288 291 293
+CONECT 293 292 294 300
+CONECT 294 293 295 296
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+CONECT 296 294 297
+CONECT 297 296 298 299
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+CONECT 301 290 302 303 304
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+CONECT 306 305 307 308
+CONECT 307 306 311
+CONECT 308 306 309 310
+CONECT 309 308 323
+CONECT 310 308 311
+CONECT 311 307 310 312
+CONECT 312 311 313 322
+CONECT 313 312 314
+CONECT 314 313 315
+CONECT 315 314 316 322
+CONECT 316 315 317 318
+CONECT 317 316
+CONECT 318 316 319
+CONECT 319 318 320 321
+CONECT 320 319
+CONECT 321 319 322
+CONECT 322 312 315 321
+CONECT 323 309 324 325 326
+CONECT 324 323
+CONECT 325 323
+CONECT 326 323 327
+CONECT 327 326 328
+CONECT 328 327 329 330
+CONECT 329 328 333
+CONECT 330 328 331 332
+CONECT 331 330 344
+CONECT 332 330 333
+CONECT 333 329 332 334
+CONECT 334 333 335 343
+CONECT 335 334 336
+CONECT 336 335 337
+CONECT 337 336 338 343
+CONECT 338 337 339 340
+CONECT 339 338
+CONECT 340 338 341
+CONECT 341 340 342
+CONECT 342 341 343
+CONECT 343 334 337 342
+CONECT 344 331 345 346 347
+CONECT 345 344
+CONECT 346 344
+CONECT 347 344 348
+CONECT 348 347 349
+CONECT 349 348 350 351
+CONECT 350 349 354
+CONECT 351 349 352 353
+CONECT 352 351 365
+CONECT 353 351 354
+CONECT 354 350 353 355
+CONECT 355 354 356 364
+CONECT 356 355 357
+CONECT 357 356 358
+CONECT 358 357 359 364
+CONECT 359 358 360 361
+CONECT 360 359
+CONECT 361 359 362
+CONECT 362 361 363
+CONECT 363 362 364
+CONECT 364 355 358 363
+CONECT 365 352 366 367 368
+CONECT 366 365
+CONECT 367 365
+CONECT 368 365 369
+CONECT 369 368 370
+CONECT 370 369 371 372
+CONECT 371 370 375
+CONECT 372 370 373 374
+CONECT 373 372 385
+CONECT 374 372 375
+CONECT 375 371 374 376
+CONECT 376 375 377 384
+CONECT 377 376 378 379
+CONECT 378 377
+CONECT 379 377 380
+CONECT 380 379 381 382
+CONECT 381 380
+CONECT 382 380 383 384
+CONECT 383 382
+CONECT 384 376 382
+CONECT 385 373 386 387 388
+CONECT 386 385
+CONECT 387 385
+CONECT 388 385 389
+CONECT 389 388 390
+CONECT 390 389 391 392
+CONECT 391 390 395
+CONECT 392 390 393 394
+CONECT 393 392 405
+CONECT 394 392 395
+CONECT 395 391 394 396
+CONECT 396 395 397 404
+CONECT 397 396 398 399
+CONECT 398 397
+CONECT 399 397 400
+CONECT 400 399 401 402
+CONECT 401 400
+CONECT 402 400 403 404
+CONECT 403 402
+CONECT 404 396 402
+CONECT 405 393 406 407 408
+CONECT 406 405
+CONECT 407 405
+CONECT 408 405 409
+CONECT 409 408 410
+CONECT 410 409 411 412
+CONECT 411 410 415
+CONECT 412 410 413 414
+CONECT 413 412 424
+CONECT 414 412 415
+CONECT 415 411 414 416
+CONECT 416 415 417 423
+CONECT 417 416 418 419
+CONECT 418 417
+CONECT 419 417 420
+CONECT 420 419 421 422
+CONECT 421 420
+CONECT 422 420 423
+CONECT 423 416 422
+CONECT 424 413 425 426 427
+CONECT 425 424
+CONECT 426 424
+CONECT 427 424 428
+CONECT 428 427 429
+CONECT 429 428 430 431
+CONECT 430 429 434
+CONECT 431 429 432 433
+CONECT 432 431 446
+CONECT 433 431 434
+CONECT 434 430 433 435
+CONECT 435 434 436 445
+CONECT 436 435 437
+CONECT 437 436 438
+CONECT 438 437 439 445
+CONECT 439 438 440 441
+CONECT 440 439
+CONECT 441 439 442
+CONECT 442 441 443 444
+CONECT 443 442
+CONECT 444 442 445
+CONECT 445 435 438 444
+CONECT 446 432 447 448 449
+CONECT 447 446
+CONECT 448 446
+CONECT 449 446 450
+CONECT 450 449 451
+CONECT 451 450 452 453
+CONECT 452 451 456
+CONECT 453 451 454 455
+CONECT 454 453 465
+CONECT 455 453 456
+CONECT 456 452 455 457
+CONECT 457 456 458 464
+CONECT 458 457 459 460
+CONECT 459 458
+CONECT 460 458 461
+CONECT 461 460 462 463
+CONECT 462 461
+CONECT 463 461 464
+CONECT 464 457 463
+CONECT 465 454 466 467 468
+CONECT 466 465
+CONECT 467 465
+CONECT 468 465 469
+CONECT 469 468 470
+CONECT 470 469 471 472
+CONECT 471 470 475
+CONECT 472 470 473 474
+CONECT 473 472
+CONECT 474 472 475
+CONECT 475 471 474 476
+CONECT 476 475 477 486
+CONECT 477 476 478
+CONECT 478 477 479
+CONECT 479 478 480 486
+CONECT 480 479 481 482
+CONECT 481 480
+CONECT 482 480 483
+CONECT 483 482 484 485
+CONECT 484 483
+CONECT 485 483 486
+CONECT 486 476 479 485
+END
diff --git a/sasview/test/coordinate_data/sld_file.sld b/sasview/test/coordinate_data/sld_file.sld
new file mode 100644
index 0000000..274ac1f
--- /dev/null
+++ b/sasview/test/coordinate_data/sld_file.sld
@@ -0,0 +1,553 @@
+X Y Z SLDN SLDMx SLDMy SLDMz
+-40.5 -13.5 -13.5 0 0 0 1.46e-06
+-40.5 -13.5 -4.5 0 0 0 1.46e-06
+-40.5 -13.5 4.5 0 0 0 1.46e-06
+-40.5 -13.5 13.5 0 0 0 1.46e-06
+-40.5 -4.5 -13.5 0 0 0 1.46e-06
+-40.5 -4.5 -4.5 0 1.03238e-06 1.03238e-06 0
+-40.5 -4.5 4.5 0 1.03238e-06 1.03238e-06 0
+-40.5 -4.5 13.5 0 0 0 1.46e-06
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+-40.5 4.5 13.5 0 0 0 1.46e-06
+-40.5 13.5 -13.5 0 0 0 1.46e-06
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+-40.5 13.5 4.5 0 0 0 1.46e-06
+-40.5 13.5 13.5 0 0 0 1.46e-06
+-31.5 -31.5 -4.5 0 0 0 1.46e-06
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+-31.5 -22.5 22.5 0 0 0 1.46e-06
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\ No newline at end of file
diff --git a/sasview/test/image_data/ISIS_98940_greyscale_bmp.bmp b/sasview/test/image_data/ISIS_98940_greyscale_bmp.bmp
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new file mode 100644
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new file mode 100644
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Binary files /dev/null and b/sasview/test/image_data/ISIS_98940_greyscale_jpg.jpg differ
diff --git a/sasview/test/image_data/ISIS_98940_greyscale_png.png b/sasview/test/image_data/ISIS_98940_greyscale_png.png
new file mode 100644
index 0000000..13867e8
Binary files /dev/null and b/sasview/test/image_data/ISIS_98940_greyscale_png.png differ
diff --git a/sasview/test/image_data/ISIS_98940_greyscale_tif.tif b/sasview/test/image_data/ISIS_98940_greyscale_tif.tif
new file mode 100644
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Binary files /dev/null and b/sasview/test/image_data/ISIS_98940_greyscale_tif.tif differ
diff --git a/sasview/test/media/testdata_help.rst b/sasview/test/media/testdata_help.rst
new file mode 100644
index 0000000..e49dc58
--- /dev/null
+++ b/sasview/test/media/testdata_help.rst
@@ -0,0 +1,194 @@
+.. testdata_help.rst
+
+Test Data
+=========
+
+Test data sets are included as a convenience to our users. Look in the \test
+sub-folder in your SasView installation folder.
+
+The test data sets are organized based on their data structure:
+
+- *1D data*
+- *convertible 1D data files*
+- *2D data*
+- *coordinate data*
+- *image data*
+- *SESANS data*
+- *save states*
+- *upcoming formats*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+1D Data
+^^^^^^^
+1D data sets EITHER have:
+
+- at least two columns of data with I(Q) (assumed to be in absolute units) on the y-axis and Q on the x-axis. And additional columns of data may carry uncertainty data, resolution data, or other metadata.
+
+OR:
+
+- the I(Q) and Q data in separate files *with no other information*.
+
+Data in the latter format need to be converted to a single file format with the :ref:`File_Converter_Tool` before they can be analysed in SasView. Test files are located in the /convertible_files folder.
+
+1D Test Data
+............
+33837rear_1D_1.75_16.5
+ - Data from a magnetically-oriented surfactant liquid crystal output by the Mantid framework. The data was collected on the SANS2D instrument at ISIS.
+
+10wtAOT_Reline_120_reduced / Anton-Paar / saxsess_example
+ - Data from Anton-Paar SAXSess instruments saved in Otto Glatter's PDH format.
+
+AOT_Microemulsion
+ - Aerosol-OT surfactant stabilised oil-in-water microemulsion data at three
+ contrasts: core (oil core), drop (oil core + surfactant layer), and shell
+ (surfactant layer).
+ - Suitable for testing simultaneous fitting.
+
+APS_DND-CAT
+ - ASCII data from the DND-CAT beamline at the APS.
+
+hSDS_D2O
+ - h25-sodium dodecyl sulphate solutions at two concentrations: 0.5wt% (just
+ above the cmc), 2wt% (well above the cmc), and 2wt% but with 0.2mM NaCl
+ electrolyte.
+ - Suitable for testing charged S(Q) models.
+
+ISIS_83404 / ISIS_98929
+ - Polyamide-6 fibres hydrated in D2O exhibiting a broad lamellar peak from the semi-crystalline nanostructure.
+ - This is the *same data* as that in the BSL/OTOKO Z8300* / Z9800* files but in an amalgamated ASCII format!
+ - Suitable for testing :ref:`Correlation_Function_Analysis` .
+
+ISIS_Polymer_Blend_TK49
+ - Monodisperse (Mw/Mn~1.02) 49wt% d8-polystyrene : 51wt% h8-polystyrene
+ polymer blend.
+ - Suitable for testing Poly_GaussCoil and RPA10 models.
+
+P123_D2O
+ - Lyotropic liquid crystalline solutions of non-ionic ABA block copolymer
+ Pluronic P123 in water at three concentrations: 10wt%, 30wt%, and 40wt%.
+ - Suitable for testing paracrystal models.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Convertible 1D Data
+^^^^^^^^^^^^^^^^^^^
+
+APS_X / APS_Y
+ - ASCII data output by a reduction software package at the APS.
+ - Suitable for testing the :ref:`File_Converter_Tool` .
+
+FIT2D_I / FIT2D_Q
+ - ASCII data output by the FIT2D software package at the ESRF.
+ - Suitable for testing the :ref:`File_Converter_Tool` .
+
+Z8300*.I1D / Z8300*.QAX / Z9800*.I1D / Z9800*.QAX
+ - BSL/OTOKO data from polyamide-6 fibres hydrated in D2O exhibiting a broad lamellar peak from the semi-crystalline nanostructure.
+ - This is the *same data* as that in ISIS_83404 / ISIS_98929 but in an older separated format!
+ - Suitable for testing the :ref:`File_Converter_Tool` .
+ - Suitable for testing :ref:`Correlation_Function_Analysis` .
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+2D Data
+^^^^^^^
+2D data sets are data sets that give the reduced intensity for each Qx-Qy bin. Depending on the file format, uncertainty data and metadata may also be available.
+
+2D Test Data
+............
+33837rear_2D_1.75_16.5
+ - Data from a magnetically-oriented surfactant liquid crystal output by the Mantid framework. The data was collected on the SANS2D instrument at ISIS.
+
+P123_D2O
+ - Lyotropic liquid crystalline solutions of non-ionic ABA block copolymer
+ Pluronic P123 in water at three concentrations: 10wt%, 30wt%, and 40wt%.
+ - Suitable for testing paracrystal models.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Coordinate Data
+^^^^^^^^^^^^^^^
+Coordinate data sets, such as PDB or OMF files, and which describe a specific structure, are designed to be read and viewed in the :ref:`SANS_Calculator_Tool` .
+
+Coordinate Test Data
+....................
+A_Raw_Example-1
+ - OMF format data file from a simulation of magnetic spheres.
+
+diamond
+ - PDB format data file for diamond.
+
+dna
+ - PDB format data file for DNA.
+
+sld_file
+ - Example SLD format data file.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Image Data
+^^^^^^^^^^
+Image data sets are designed to be read by the :ref:`Image_Viewer_Tool` . They can be converted into synthetic 2D data.
+
+Image Test Data
+...............
+ISIS_98940
+ - Polyamide-6 fibres hydrated in D2O exhibiting a broad lamellar peak from the semi-crystalline nanostructure.
+ - Data is presented in Windows Bitmap (BMP), GIF, JPEG (JPG), PNG, and TIFF (TIF) formats.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+SESANS Data
+^^^^^^^^^^^
+SESANS (Spin-Echo SANS) data sets primarily contain the neutron polarisation as a function of the spin-echo length. Also see :ref:`SESANS` .
+
+SESANS Test Data
+................
+spheres2micron
+ - SESANS data from 2 micron polystyrene spheres in 53% H2O / 47% D2O.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Save States
+^^^^^^^^^^^
+Saved states are projects and analyses saved by the SasView program. A single
+analysis file contains the data and parameters for a single fit (.fit), p(r)
+inversion (.prv), or invariant calculation (.inv). A project file (.svs) contains
+the results for every active analysis in a SasView session.
+
+Saved State Test Data
+.....................
+fitstate.fitv
+ - a saved fitting analysis.
+
+test.inv
+ - a saved invariant analysis.
+
+test002.inv
+ - a saved invariant analysis.
+
+prstate.prv
+ - a saved P(r) analysis.
+
+newone.svs
+ - a saved SasView project.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Upcoming Formats
+^^^^^^^^^^^^^^^^
+Data in this folder are in formats that are not yet implemented in SasView but which might be in future versions of the program.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Other Test Data
+^^^^^^^^^^^^^^^
+phi_weights.txt
+
+radius_dist.txt
+
+THETA_weights.txt
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 06Oct2016
diff --git a/sasview/test/other_files/dist _THETA_weights.txt b/sasview/test/other_files/dist _THETA_weights.txt
new file mode 100644
index 0000000..351796e
--- /dev/null
+++ b/sasview/test/other_files/dist _THETA_weights.txt
@@ -0,0 +1,2 @@
+0 1
+1.5708 0.734602
\ No newline at end of file
diff --git a/sasview/test/other_files/phi_weights.txt b/sasview/test/other_files/phi_weights.txt
new file mode 100644
index 0000000..eea4a99
--- /dev/null
+++ b/sasview/test/other_files/phi_weights.txt
@@ -0,0 +1,2 @@
+0 1
+3 0.011109
diff --git a/sasview/test/other_files/radius_dist.txt b/sasview/test/other_files/radius_dist.txt
new file mode 100644
index 0000000..636d426
--- /dev/null
+++ b/sasview/test/other_files/radius_dist.txt
@@ -0,0 +1,4 @@
+5 1
+6 1
+4 1
+
diff --git a/sasview/test/other_files/theta_weights.txt b/sasview/test/other_files/theta_weights.txt
new file mode 100644
index 0000000..d1b6648
--- /dev/null
+++ b/sasview/test/other_files/theta_weights.txt
@@ -0,0 +1,1000 @@
+0 1
+0.00157237 0.999999
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diff --git a/sasview/test/save_states/constrained_fit_project.svs b/sasview/test/save_states/constrained_fit_project.svs
new file mode 100644
index 0000000..c55c79c
--- /dev/null
+++ b/sasview/test/save_states/constrained_fit_project.svs
@@ -0,0 +1,2571 @@
+<?xml version="1.0" ?>
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+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID/>
+ <thickness unit="mm">1.0</thickness>
+ <transmission>0.84031</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">2.38</wavelength>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name/>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>free form description of processing</SASnote>
+ <fitting_plug_in version="1.0">
+ <filename>latex_smeared.xml</filename>
+ <timestamp epoch="1475851250.54">Fri Oct 07 10:40:50 2016</timestamp>
+ <Attributes>
+ <is_data is_data="True"/>
+ <group_id group_id="300"/>
+ <data_name data_name="latex_smeared.xml [1]"/>
+ <data_id data_id="latex_smeared.xml [1]1475850953.26"/>
+ <name name=""/>
+ <data_name data_name="latex_smeared.xml [1]"/>
+ <qmin qmin="7.7457e-05"/>
+ <qmax qmax="0.00554976"/>
+ <npts npts="50"/>
+ <categorycombobox categorycombobox="Shapes"/>
+ <formfactorcombobox formfactorcombobox="sphere"/>
+ <structurecombobox structurecombobox="None"/>
+ <multi_factor multi_factor="None"/>
+ <magnetic_on magnetic_on="False"/>
+ <enable_smearer enable_smearer="True"/>
+ <disable_smearer disable_smearer="False"/>
+ <pinhole_smearer pinhole_smearer="False"/>
+ <slit_smearer slit_smearer="False"/>
+ <enable_disp enable_disp="False"/>
+ <disable_disp disable_disp="True"/>
+ <dI_noweight dI_noweight="False"/>
+ <dI_didata dI_didata="True"/>
+ <dI_sqrdata dI_sqrdata="False"/>
+ <dI_idata dI_idata="False"/>
+ <enable2D enable2D="False"/>
+ <cb1 cb1="False"/>
+ <tcChi tcChi="24.57"/>
+ <smearer smearer="<sas.sascalc.data_util.qsmearing.PySmear object at 0x0000000015CA6B00>"/>
+ <smear_type smear_type="None"/>
+ <dq_l dq_l="0.117"/>
+ <dq_r dq_r="None"/>
+ <dx_max dx_max="0.0"/>
+ <dx_min dx_min="0.0"/>
+ <dxl dxl="0.0"/>
+ <dxw dxw=""/>
+ <values/>
+ <weights/>
+ <disp_obj_dict/>
+ <parameters>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="0" name="scale" selected_to_fit="True" unit="" value="1.7527e-06"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="background" selected_to_fit="True" unit="1/cm" value="0.060082"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="sld" selected_to_fit="True" unit="1e-6/Ang^2" value="-705.77"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="sld_solvent" selected_to_fit="True" unit="1e-6/Ang^2" value="-361.37"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="0" name="radius" selected_to_fit="True" unit="Ang" value="2462.1"/>
+ </parameters>
+ <str_parameters/>
+ <orientation_parameters/>
+ <dispersity_parameters/>
+ <fixed_param/>
+ <fittable_param/>
+ </Attributes>
+ <simultaneous_fit>
+ <sim_fit_number fit_number="307"/>
+ <constraints>
+ <constraint constraint="M2.scale" egal_txt=" = " model_cbox="M1" param_cbox="scale"/>
+ <constraint constraint="M2.background" egal_txt=" = " model_cbox="M1" param_cbox="background"/>
+ <constraint constraint="M2.sld" egal_txt=" = " model_cbox="M1" param_cbox="sld"/>
+ <constraint constraint="M2.sld_solvent" egal_txt=" = " model_cbox="M1" param_cbox="sld_solvent"/>
+ <constraint constraint="M2.radius" egal_txt=" = " model_cbox="M1" param_cbox="radius"/>
+ </constraints>
+ <model_list>
+ <model_list_item checked="True" fit_number="210" fit_page_source="M1" model_name="sphere" name="latex_smeared.xml [1]1475850953.26"/>
+ <model_list_item checked="True" fit_number="301" fit_page_source="M2" model_name="sphere" name="latex_smeared.xml1475850952.26"/>
+ </model_list>
+ <select_all checked="True"/>
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+ </SASentry>
+ <SASentry>
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+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID/>
+ <thickness unit="mm">1.0</thickness>
+ <transmission>0.327</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">5.0</wavelength>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name/>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>free form description of processing</SASnote>
+ <fitting_plug_in version="1.0">
+ <filename>latex_smeared.xml</filename>
+ <timestamp epoch="1475851250.64">Fri Oct 07 10:40:50 2016</timestamp>
+ <Attributes>
+ <is_data is_data="True"/>
+ <group_id group_id="300"/>
+ <data_name data_name="latex_smeared.xml"/>
+ <data_id data_id="latex_smeared.xml1475850952.26"/>
+ <name name=""/>
+ <data_name data_name="latex_smeared.xml"/>
+ <qmin qmin="0.003797"/>
+ <qmax qmax="0.401"/>
+ <npts npts="301.0"/>
+ <categorycombobox categorycombobox="Shapes"/>
+ <formfactorcombobox formfactorcombobox="sphere"/>
+ <structurecombobox structurecombobox="None"/>
+ <multi_factor multi_factor="None"/>
+ <magnetic_on magnetic_on="False"/>
+ <enable_smearer enable_smearer="True"/>
+ <disable_smearer disable_smearer="False"/>
+ <pinhole_smearer pinhole_smearer="False"/>
+ <slit_smearer slit_smearer="False"/>
+ <enable_disp enable_disp="False"/>
+ <disable_disp disable_disp="True"/>
+ <dI_noweight dI_noweight="False"/>
+ <dI_didata dI_didata="True"/>
+ <dI_sqrdata dI_sqrdata="False"/>
+ <dI_idata dI_idata="False"/>
+ <enable2D enable2D="False"/>
+ <cb1 cb1="False"/>
+ <tcChi tcChi="50.501"/>
+ <smearer smearer="<sas.sascalc.data_util.qsmearing.PySmear object at 0x0000000013F30E10>"/>
+ <smear_type smear_type="None"/>
+ <dq_l dq_l="0.00109"/>
+ <dq_r dq_r="0.02375"/>
+ <dx_max dx_max="0.0"/>
+ <dx_min dx_min="0.0"/>
+ <dxl dxl="0.0"/>
+ <dxw dxw=""/>
+ <values/>
+ <weights/>
+ <disp_obj_dict/>
+ <parameters>
+ <parameter error_displayed="True" error_value="1.0538e-07" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="0" name="scale" selected_to_fit="True" unit="" value="1.7527e-06"/>
+ <parameter error_displayed="True" error_value="7.6836e-05" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="background" selected_to_fit="True" unit="1/cm" value="0.060082"/>
+ <parameter error_displayed="True" error_value="2220.2" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="sld" selected_to_fit="True" unit="1e-6/Ang^2" value="-705.77"/>
+ <parameter error_displayed="True" error_value="2198.8" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="sld_solvent" selected_to_fit="True" unit="1e-6/Ang^2" value="-361.37"/>
+ <parameter error_displayed="True" error_value="0.34434" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="0" name="radius" selected_to_fit="True" unit="Ang" value="2462.1"/>
+ </parameters>
+ <str_parameters/>
+ <orientation_parameters/>
+ <dispersity_parameters/>
+ <fixed_param/>
+ <fittable_param/>
+ </Attributes>
+ <simultaneous_fit>
+ <sim_fit_number fit_number="307"/>
+ <constraints>
+ <constraint constraint="M2.scale" egal_txt=" = " model_cbox="M1" param_cbox="scale"/>
+ <constraint constraint="M2.background" egal_txt=" = " model_cbox="M1" param_cbox="background"/>
+ <constraint constraint="M2.sld" egal_txt=" = " model_cbox="M1" param_cbox="sld"/>
+ <constraint constraint="M2.sld_solvent" egal_txt=" = " model_cbox="M1" param_cbox="sld_solvent"/>
+ <constraint constraint="M2.radius" egal_txt=" = " model_cbox="M1" param_cbox="radius"/>
+ </constraints>
+ <model_list>
+ <model_list_item checked="True" fit_number="210" fit_page_source="M1" model_name="sphere" name="latex_smeared.xml [1]1475850953.26"/>
+ <model_list_item checked="True" fit_number="301" fit_page_source="M2" model_name="sphere" name="latex_smeared.xml1475850952.26"/>
+ </model_list>
+ <select_all checked="True"/>
+ </simultaneous_fit>
+ </fitting_plug_in>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/save_states/fit_pr_and_invariant_project.svs b/sasview/test/save_states/fit_pr_and_invariant_project.svs
new file mode 100644
index 0000000..acaab33
--- /dev/null
+++ b/sasview/test/save_states/fit_pr_and_invariant_project.svs
@@ -0,0 +1,1576 @@
+<?xml version="1.0" ?>
+<SASroot version="1.0" xmlns="cansas1d/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry>
+ <Title>1000A_sphere_sm.xml</Title>
+ <Run>1000A_sphere_sm.xml</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">3.0525e-05</Q>
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+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID/>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name/>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote/>
+ <invariant version="1.0">
+ <filename>1000A_sphere_sm.xml</filename>
+ <timestamp epoch="1479483530.46">Fri Nov 18 10:38:50 2016</timestamp>
+ <state>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl>1.76e-018</volume_err_tcl>
+ <compute_num>1</compute_num>
+ <file>1000A_sphere_sm.xml</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl>4.07e-013</volume_tcl>
+ <state_num>1</state_num>
+ <power_law_low>False</power_law_low>
+ <power_high_tcl>4.0</power_high_tcl>
+ <npts_low_tcl>10</npts_low_tcl>
+ <scale_tcl>1.0</scale_tcl>
+ <fix_enable_low>True</fix_enable_low>
+ <power_law_high>False</power_law_high>
+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
+ <power_low_tcl>4.0</power_low_tcl>
+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state>
+ <history>
+ <state_1>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl>1.76e-018</volume_err_tcl>
+ <compute_num>1</compute_num>
+ <file>1000A_sphere_sm.xml</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl>4.07e-013</volume_tcl>
+ <state_num>1</state_num>
+ <power_law_low>False</power_law_low>
+ <power_high_tcl>4.0</power_high_tcl>
+ <npts_low_tcl>10</npts_low_tcl>
+ <scale_tcl>1.0</scale_tcl>
+ <fix_enable_low>True</fix_enable_low>
+ <power_law_high>False</power_law_high>
+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
+ <power_low_tcl>4.0</power_low_tcl>
+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state_1>
+ <state_0>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl>1.76e-018</volume_err_tcl>
+ <compute_num>0</compute_num>
+ <file>1000A_sphere_sm.xml</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl>4.07e-013</volume_tcl>
+ <state_num>0</state_num>
+ <power_law_low>False</power_law_low>
+ <power_high_tcl>4.0</power_high_tcl>
+ <npts_low_tcl>10</npts_low_tcl>
+ <scale_tcl>1.0</scale_tcl>
+ <fix_enable_low>True</fix_enable_low>
+ <power_law_high>False</power_law_high>
+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
+ <power_low_tcl>4.0</power_low_tcl>
+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state_0>
+ <state_3>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl>7.33e-18</volume_err_tcl>
+ <compute_num>0</compute_num>
+ <file>None</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl>6.74e-13</volume_tcl>
+ <state_num>3</state_num>
+ <power_law_low>False</power_law_low>
+ <power_high_tcl>4.0</power_high_tcl>
+ <npts_low_tcl>10</npts_low_tcl>
+ <scale_tcl>1.0</scale_tcl>
+ <fix_enable_low>True</fix_enable_low>
+ <power_law_high>False</power_law_high>
+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
+ <power_low_tcl>4.0</power_low_tcl>
+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state_3>
+ <state_2>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl></volume_err_tcl>
+ <compute_num>0</compute_num>
+ <file>None</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl></volume_tcl>
+ <state_num>2</state_num>
+ <power_law_low>False</power_law_low>
+ <power_high_tcl>4.0</power_high_tcl>
+ <npts_low_tcl>10</npts_low_tcl>
+ <scale_tcl>1.0</scale_tcl>
+ <fix_enable_low>True</fix_enable_low>
+ <power_law_high>False</power_law_high>
+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
+ <power_low_tcl>4.0</power_low_tcl>
+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state_2>
+ <state_5>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl></volume_err_tcl>
+ <compute_num>0</compute_num>
+ <file>None</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl></volume_tcl>
+ <state_num>5</state_num>
+ <power_law_low>False</power_law_low>
+ <power_high_tcl>4.0</power_high_tcl>
+ <npts_low_tcl>10</npts_low_tcl>
+ <scale_tcl>1.0</scale_tcl>
+ <fix_enable_low>True</fix_enable_low>
+ <power_law_high>False</power_law_high>
+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
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+ <surface_tcl></surface_tcl>
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+ <volume_err_tcl>7.33e-18</volume_err_tcl>
+ <compute_num>0</compute_num>
+ <file>None</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl>6.74e-13</volume_tcl>
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+ <scale_tcl>1.0</scale_tcl>
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+ <fix_enable_high>True</fix_enable_high>
+ <surface_err_tcl></surface_err_tcl>
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+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state_4>
+ <state_6>
+ <guinier>True</guinier>
+ <npts_high_tcl>10</npts_high_tcl>
+ <surface_tcl></surface_tcl>
+ <enable_high_cbox>False</enable_high_cbox>
+ <porod_constant_tcl></porod_constant_tcl>
+ <volume_err_tcl></volume_err_tcl>
+ <compute_num>0</compute_num>
+ <file>None</file>
+ <enable_low_cbox>False</enable_low_cbox>
+ <is_time_machine>False</is_time_machine>
+ <volume_tcl></volume_tcl>
+ <state_num>6</state_num>
+ <power_law_low>False</power_law_low>
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+ <fix_enable_low>True</fix_enable_low>
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+ <fit_enable_high>False</fit_enable_high>
+ <contrast_tcl>1.0</contrast_tcl>
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+ <surface_err_tcl></surface_err_tcl>
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+ <background_tcl>0.0</background_tcl>
+ <fit_enable_low>False</fit_enable_low>
+ </state_6>
+ </history>
+ <bookmark/>
+ </invariant>
+ </SASentry>
+ <SASentry>
+ <Title>cyl_testdata2.txt [Feb 02 17:34]</Title>
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+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID/>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name/>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote/>
+ <pr_inversion version="1.0">
+ <filename>cyl_testdata2.txt [Nov 18 10:15]</filename>
+ <timestamp epoch="1479483530.46">Fri Nov 18 10:38:50 2016</timestamp>
+ <inputs>
+ <nterms>14</nterms>
+ <d_max>140.0</d_max>
+ <alpha>3e-12</alpha>
+ <slit_width>0.0</slit_width>
+ <slit_height>0.0</slit_height>
+ <qmin>None</qmin>
+ <qmax>None</qmax>
+ <estimate_bck>False</estimate_bck>
+ </inputs>
+ <outputs>
+ <elapsed>0.0</elapsed>
+ <rg>57.0</rg>
+ <iq0>1.3e+14</iq0>
+ <bck>0.0</bck>
+ <chi2>3.2e+13</chi2>
+ <osc>1.1</osc>
+ <pos>1.0</pos>
+ <pos_err>1.0</pos_err>
+ <alpha_estimate>3e-12</alpha_estimate>
+ <nterms_estimate>14</nterms_estimate>
+ <coefficients>None</coefficients>
+ <covariance>None</covariance>
+ </outputs>
+ </pr_inversion>
+ </SASentry>
+ <SASentry>
+ <Title>1000A Sphere Simulated USANS Data</Title>
+ <Run>1000A_sphere_sm.xml </Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">3.0525e-05</Q>
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+ <Idata>
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+ </Idata>
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+ <Q unit="1/A">3.885e-05</Q>
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+ <Idev unit="1/cm">1501.0</Idev>
+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">4.44e-05</Q>
+ <I unit="1/cm">271150.0</I>
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+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
+ <Idata>
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+ <I unit="1/cm">18.59</I>
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+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.00333</Q>
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+ </Idata>
+ <Idata>
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+ </Idata>
+ <Idata>
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+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0041625</Q>
+ <I unit="1/cm">6.0143</I>
+ <Idev unit="1/cm">1.3393</Idev>
+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.00444</Q>
+ <I unit="1/cm">4.374</I>
+ <Idev unit="1/cm">1.2822</Idev>
+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0047175</Q>
+ <I unit="1/cm">4.6474</I>
+ <Idev unit="1/cm">1.2226</Idev>
+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.004995</Q>
+ <I unit="1/cm">3.8273</I>
+ <Idev unit="1/cm">1.1598</Idev>
+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0052725</Q>
+ <I unit="1/cm">5.4676</I>
+ <Idev unit="1/cm">1.0588</Idev>
+ <Qdev unit="1/A">0.0</Qdev>
+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID>X1000A_mod</ID>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>Re-written data</name>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name/>
+ <date/>
+ <description/>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote/>
+ <fitting_plug_in version="1.0">
+ <filename>1000A_sphere_sm.xml [Nov 18 10:15]</filename>
+ <timestamp epoch="1479483530.47">Fri Nov 18 10:38:50 2016</timestamp>
+ <Attributes>
+ <is_data is_data="True"/>
+ <group_id group_id="1000A_sphere_sm.xml"/>
+ <data_name data_name="1000A_sphere_sm.xml "/>
+ <data_id data_id="1000A_sphere_sm.xml 1479482766.92"/>
+ <name name=""/>
+ <data_name data_name="1000A_sphere_sm.xml "/>
+ <qmin qmin="3.0525e-05"/>
+ <qmax qmax="0.0052725"/>
+ <npts npts="50"/>
+ <categorycombobox categorycombobox="Sphere"/>
+ <formfactorcombobox formfactorcombobox="sphere"/>
+ <structurecombobox structurecombobox="None"/>
+ <multi_factor multi_factor="None"/>
+ <magnetic_on magnetic_on="False"/>
+ <enable_smearer enable_smearer="True"/>
+ <disable_smearer disable_smearer="False"/>
+ <pinhole_smearer pinhole_smearer="False"/>
+ <slit_smearer slit_smearer="False"/>
+ <enable_disp enable_disp="False"/>
+ <disable_disp disable_disp="True"/>
+ <dI_noweight dI_noweight="False"/>
+ <dI_didata dI_didata="True"/>
+ <dI_sqrdata dI_sqrdata="False"/>
+ <dI_idata dI_idata="False"/>
+ <enable2D enable2D="False"/>
+ <cb1 cb1="False"/>
+ <tcChi tcChi="5.8693e+09"/>
+ <smearer smearer="None"/>
+ <smear_type smear_type="None"/>
+ <dq_l dq_l="0.0"/>
+ <dq_r dq_r="0.0"/>
+ <dx_max dx_max="0.0"/>
+ <dx_min dx_min="0.0"/>
+ <dxl dxl="0.0"/>
+ <dxw dxw=""/>
+ <values/>
+ <weights/>
+ <disp_obj_dict/>
+ <parameters>
+ <parameter error_displayed="True" error_value="217060.0" maximum_displayed="True" maximum_value="nan" minimum_displayed="True" minimum_value="nan" name="scale" selected_to_fit="True" unit="" value="3.9233"/>
+ <parameter error_displayed="True" error_value="0.45288" maximum_displayed="True" maximum_value="nan" minimum_displayed="True" minimum_value="nan" name="background" selected_to_fit="True" unit="1/cm" value="-0.74573"/>
+ <parameter error_displayed="True" error_value="0.009209" maximum_displayed="True" maximum_value="nan" minimum_displayed="True" minimum_value="nan" name="sld" selected_to_fit="True" unit="1e-6/Ang^2" value="1.6276"/>
+ <parameter error_displayed="True" error_value="0.0098024" maximum_displayed="True" maximum_value="nan" minimum_displayed="True" minimum_value="nan" name="sld_solvent" selected_to_fit="True" unit="1e-6/Ang^2" value="1.9536"/>
+ <parameter error_displayed="True" error_value="6.0472" maximum_displayed="True" maximum_value="nan" minimum_displayed="True" minimum_value="nan" name="radius" selected_to_fit="True" unit="Ang" value="10060.0"/>
+ </parameters>
+ <str_parameters/>
+ <orientation_parameters/>
+ <dispersity_parameters/>
+ <fixed_param/>
+ <fittable_param/>
+ </Attributes>
+ </fitting_plug_in>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/save_states/fitstate.fitv b/sasview/test/save_states/fitstate.fitv
new file mode 100644
index 0000000..39cbd51
--- /dev/null
+++ b/sasview/test/save_states/fitstate.fitv
@@ -0,0 +1,656 @@
+<?xml version="1.0" ?>
+<SASroot version="1.0" xmlns="cansas1d/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O slit</Title>
+ <Run>latex_smeared.xml </Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">7.7457e-05</Q>
+ <I unit="1/cm">8432.04</I>
+ <Idev unit="1/cm">153.745</Idev>
+ <dQw unit="1/A">0.0</dQw>
+ <dQl unit="1/A">0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">8.3007e-05</Q>
+ <I unit="1/cm">8298.38</I>
+ <Idev unit="1/cm">152.01</Idev>
+ <dQw unit="1/A">0.0</dQw>
+ <dQl unit="1/A">0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">8.8557e-05</Q>
+ <I unit="1/cm">8091.51</I>
+ <Idev unit="1/cm">149.908</Idev>
+ <dQw unit="1/A">0.0</dQw>
+ <dQl unit="1/A">0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">9.4107e-05</Q>
+ <I unit="1/cm">7947.7</I>
+ <Idev unit="1/cm">148.184</Idev>
+ <dQw unit="1/A">0.0</dQw>
+ <dQl unit="1/A">0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">9.9657e-05</Q>
+ <I unit="1/cm">8174.04</I>
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+ <dQw unit="1/A">0.0</dQw>
+ <dQl unit="1/A">0.117</dQl>
+ </Idata>
+ <Idata>
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+ <dQw unit="1/A">0.0</dQw>
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+ </Idata>
+ <Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ </Idata>
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+ <timestamp epoch="1479496054.62">Fri Nov 18 14:07:34 2016</timestamp>
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+ <smear_type smear_type="None"/>
+ <dq_l dq_l="None"/>
+ <dq_r dq_r="0.0"/>
+ <dx_max dx_max="0.0"/>
+ <dx_min dx_min="0.0"/>
+ <dxl dxl="0.0"/>
+ <dxw dxw=""/>
+ <values/>
+ <weights/>
+ <disp_obj_dict/>
+ <parameters>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="0" name="scale" selected_to_fit="True" unit="" value="1.7527e-06"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="background" selected_to_fit="True" unit="1/cm" value="0.060082"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="sld" selected_to_fit="True" unit="1e-6/Ang^2" value="-705.77"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="sld_solvent" selected_to_fit="True" unit="1e-6/Ang^2" value="-361.37"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="0" name="radius" selected_to_fit="True" unit="Ang" value="2462.1"/>
+ </parameters>
+ <str_parameters/>
+ <orientation_parameters/>
+ <dispersity_parameters/>
+ <fixed_param/>
+ <fittable_param/>
+ </Attributes>
+ </fitting_plug_in>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/save_states/project_multiplicative_constraint.svs b/sasview/test/save_states/project_multiplicative_constraint.svs
new file mode 100644
index 0000000..42f66a1
--- /dev/null
+++ b/sasview/test/save_states/project_multiplicative_constraint.svs
@@ -0,0 +1,2567 @@
+<?xml version="1.0" ?>
+<SASroot version="1.0" xmlns="cansas1d/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O Qdev</Title>
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+ <SASsample name="">
+ <ID/>
+ <thickness unit="mm">1.0</thickness>
+ <transmission>0.327</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">5.0</wavelength>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name/>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>free form description of processing</SASnote>
+ <fitting_plug_in version="1.0">
+ <filename>latex_smeared.xml</filename>
+ <timestamp epoch="1475942688.37">Sat Oct 08 12:04:48 2016</timestamp>
+ <Attributes>
+ <is_data is_data="True"/>
+ <group_id group_id="301"/>
+ <data_name data_name="latex_smeared.xml"/>
+ <data_id data_id="latex_smeared.xml1475942342.8"/>
+ <name name=""/>
+ <data_name data_name="latex_smeared.xml"/>
+ <qmin qmin="0.003797"/>
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+ <npts npts="50"/>
+ <categorycombobox categorycombobox=""/>
+ <formfactorcombobox formfactorcombobox="spinodal"/>
+ <structurecombobox structurecombobox=""/>
+ <multi_factor multi_factor="None"/>
+ <magnetic_on magnetic_on="False"/>
+ <enable_smearer enable_smearer="False"/>
+ <disable_smearer disable_smearer="True"/>
+ <pinhole_smearer pinhole_smearer="False"/>
+ <slit_smearer slit_smearer="False"/>
+ <enable_disp enable_disp="False"/>
+ <disable_disp disable_disp="True"/>
+ <dI_noweight dI_noweight="False"/>
+ <dI_didata dI_didata="True"/>
+ <dI_sqrdata dI_sqrdata="False"/>
+ <dI_idata dI_idata="False"/>
+ <enable2D enable2D="False"/>
+ <cb1 cb1="False"/>
+ <tcChi tcChi="1847.1"/>
+ <smearer smearer="<sas.sascalc.data_util.qsmearing.PySmear object at 0x00000000153F3518>"/>
+ <smear_type smear_type="None"/>
+ <dq_l dq_l="0.00109"/>
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+ <dx_max dx_max="0.0"/>
+ <dx_min dx_min="0.0"/>
+ <dxl dxl="0.0"/>
+ <dxw dxw=""/>
+ <values/>
+ <weights/>
+ <disp_obj_dict/>
+ <parameters>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="scale" selected_to_fit="True" unit="" value="2.2826"/>
+ <parameter error_displayed="False" error_value="" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="background" selected_to_fit="False" unit="1/cm" value="0.001"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="gamma" selected_to_fit="True" unit="" value="1.1413"/>
+ <parameter error_displayed="True" error_value="NaN" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="q_0" selected_to_fit="True" unit="1/Ang" value="0.0014802"/>
+ </parameters>
+ <str_parameters/>
+ <orientation_parameters/>
+ <dispersity_parameters/>
+ <fixed_param/>
+ <fittable_param/>
+ </Attributes>
+ <simultaneous_fit>
+ <sim_fit_number fit_number="309"/>
+ <constraints>
+ <constraint constraint="M2.scale" egal_txt=" = " model_cbox="M1" param_cbox="scale"/>
+ <constraint constraint="M2.gamma" egal_txt=" = " model_cbox="M1" param_cbox="gamma"/>
+ <constraint constraint="M2.q_0" egal_txt=" = " model_cbox="M1" param_cbox="q_0"/>
+ <constraint constraint="2*M1.gamma" egal_txt=" = " model_cbox="M1" param_cbox="scale"/>
+ </constraints>
+ <model_list>
+ <model_list_item checked="True" fit_number="210" fit_page_source="M1" model_name="spinodal" name="latex_smeared.xml1475942342.8"/>
+ <model_list_item checked="True" fit_number="302" fit_page_source="M2" model_name="spinodal" name="latex_smeared.xml [1]1475942343.8"/>
+ </model_list>
+ <select_all checked="True"/>
+ </simultaneous_fit>
+ </fitting_plug_in>
+ </SASentry>
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O slit</Title>
+ <Run>latex_smeared.xml [1]</Run>
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+ <dQw unit="1/A">0.0</dQw>
+ <dQl unit="1/A">0.117</dQl>
+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID/>
+ <thickness unit="mm">1.0</thickness>
+ <transmission>0.84031</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name/>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">2.38</wavelength>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name/>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>free form description of processing</SASnote>
+ <fitting_plug_in version="1.0">
+ <filename>latex_smeared.xml</filename>
+ <timestamp epoch="1475942688.49">Sat Oct 08 12:04:48 2016</timestamp>
+ <Attributes>
+ <is_data is_data="True"/>
+ <group_id group_id="301"/>
+ <data_name data_name="latex_smeared.xml [1]"/>
+ <data_id data_id="latex_smeared.xml [1]1475942343.8"/>
+ <name name=""/>
+ <data_name data_name="latex_smeared.xml [1]"/>
+ <qmin qmin="7.7457e-05"/>
+ <qmax qmax="0.00554976"/>
+ <npts npts="50"/>
+ <categorycombobox categorycombobox=""/>
+ <formfactorcombobox formfactorcombobox="spinodal"/>
+ <structurecombobox structurecombobox=""/>
+ <multi_factor multi_factor="None"/>
+ <magnetic_on magnetic_on="False"/>
+ <enable_smearer enable_smearer="False"/>
+ <disable_smearer disable_smearer="True"/>
+ <pinhole_smearer pinhole_smearer="False"/>
+ <slit_smearer slit_smearer="False"/>
+ <enable_disp enable_disp="False"/>
+ <disable_disp disable_disp="True"/>
+ <dI_noweight dI_noweight="False"/>
+ <dI_didata dI_didata="True"/>
+ <dI_sqrdata dI_sqrdata="False"/>
+ <dI_idata dI_idata="False"/>
+ <enable2D enable2D="False"/>
+ <cb1 cb1="False"/>
+ <tcChi tcChi="5774.4"/>
+ <smearer smearer="<sas.sascalc.data_util.qsmearing.PySmear object at 0x00000000131443C8>"/>
+ <smear_type smear_type="None"/>
+ <dq_l dq_l="0.117"/>
+ <dq_r dq_r="None"/>
+ <dx_max dx_max="0.0"/>
+ <dx_min dx_min="0.0"/>
+ <dxl dxl="0.0"/>
+ <dxw dxw=""/>
+ <values/>
+ <weights/>
+ <disp_obj_dict/>
+ <parameters>
+ <parameter error_displayed="True" error_value="0.048693" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="scale" selected_to_fit="True" unit="" value="9.9041"/>
+ <parameter error_displayed="False" error_value="" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="background" selected_to_fit="False" unit="1/cm" value="0.001"/>
+ <parameter error_displayed="True" error_value="0.0012557" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="gamma" selected_to_fit="True" unit="" value="1.1413"/>
+ <parameter error_displayed="True" error_value="3.2694e-06" maximum_displayed="True" maximum_value="inf" minimum_displayed="True" minimum_value="-inf" name="q_0" selected_to_fit="True" unit="1/Ang" value="0.0014802"/>
+ </parameters>
+ <str_parameters/>
+ <orientation_parameters/>
+ <dispersity_parameters/>
+ <fixed_param/>
+ <fittable_param/>
+ </Attributes>
+ <simultaneous_fit>
+ <sim_fit_number fit_number="309"/>
+ <constraints>
+ <constraint constraint="M2.scale" egal_txt=" = " model_cbox="M1" param_cbox="scale"/>
+ <constraint constraint="M2.gamma" egal_txt=" = " model_cbox="M1" param_cbox="gamma"/>
+ <constraint constraint="M2.q_0" egal_txt=" = " model_cbox="M1" param_cbox="q_0"/>
+ <constraint constraint="2*M1.gamma" egal_txt=" = " model_cbox="M1" param_cbox="scale"/>
+ </constraints>
+ <model_list>
+ <model_list_item checked="True" fit_number="210" fit_page_source="M1" model_name="spinodal" name="latex_smeared.xml1475942342.8"/>
+ <model_list_item checked="True" fit_number="302" fit_page_source="M2" model_name="spinodal" name="latex_smeared.xml [1]1475942343.8"/>
+ </model_list>
+ <select_all checked="True"/>
+ </simultaneous_fit>
+ </fitting_plug_in>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/save_states/prstate.prv b/sasview/test/save_states/prstate.prv
new file mode 100644
index 0000000..e2e7d25
--- /dev/null
+++ b/sasview/test/save_states/prstate.prv
@@ -0,0 +1,1196 @@
+<?xml version="1.0" ?>
+<SASroot version="1.0" xmlns="cansas1d/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+
+ <SASentry>
+ <Title>
+ 1000A Sphere Simulated USANS Data
+ </Title>
+ <SASdata>
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+ <Q unit="1/A">
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+ </Q>
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+ </Qdev>
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+ </Idev>
+ </Idata>
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+ </Q>
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+ </I>
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+ </Qdev>
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+ </Idev>
+ </Idata>
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+ </Q>
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+ </I>
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+ </Idev>
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+ </Idev>
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+ </Idev>
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+ </Idata>
+ <Idata>
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+ <Idata>
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+ </Idata>
+ <Idata>
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+ 1.2226
+ </Idev>
+ </Idata>
+ <Idata>
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+ <I unit="1/cm">
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+ <Qdev unit="1/A">
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+ <Idev unit="1/cm">
+ 1.1598
+ </Idev>
+ </Idata>
+ <Idata>
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+ <I unit="1/cm">
+ 5.4676
+ </I>
+ <Qdev unit="1/A">
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+ </Qdev>
+ <Idev unit="1/cm">
+ 1.0588
+ </Idev>
+ </Idata>
+ </SASdata>
+ <SASsample>
+ <ID>
+ X1000A_mod
+ </ID>
+ </SASsample>
+ <SASinstrument>
+ <name>
+
+ </name>
+ <SASsource>
+ <radiation>
+ neutron
+ </radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>
+ Re-written data
+ </name>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>
+
+ </name>
+ <date>
+
+ </date>
+ <description>
+
+ </description>
+ <SASprocessnote>
+ Modified data written from folder X1000A_mod on Wed, May 26, 2010 3:00:24 PM
+ </SASprocessnote>
+ </SASprocess>
+ <pr_inversion version="1.0">
+ <filename>
+ 1000A_sphere_sm.xml
+ </filename>
+ <timestamp epoch="1276781703.33">
+ Thu Jun 17 09:35:03 2010
+ </timestamp>
+ <inputs>
+ <nterms>
+ 10
+ </nterms>
+ <d_max>
+ 140.0
+ </d_max>
+ <alpha>
+ 100000.0
+ </alpha>
+ <slit_width>
+ 0
+ </slit_width>
+ <slit_height>
+ 0
+ </slit_height>
+ <qmin>
+ None
+ </qmin>
+ <qmax>
+ None
+ </qmax>
+ </inputs>
+ <outputs>
+ <elapsed>
+ 0.0
+ </elapsed>
+ <rg>
+ 310.0
+ </rg>
+ <iq0>
+ 45.0
+ </iq0>
+ <bck>
+ 0.0
+ </bck>
+ <chi2>
+ 1100000.0
+ </chi2>
+ <osc>
+ 2.2
+ </osc>
+ <pos>
+ 0.51
+ </pos>
+ <pos_err>
+ 0.0
+ </pos_err>
+ <alpha_estimate>
+ 100000.0
+ </alpha_estimate>
+ <nterms_estimate>
+ 10
+ </nterms_estimate>
+ <coefficients>
+ [ -5.76063824e-03 -1.21255179e-02 -5.09160177e-04 -5.08035944e-04
+ 6.33195200e-05 -2.42453371e-05 6.64756536e-05 1.35658393e-05
+ 3.12304906e-05 -3.61265676e-06]
+ </coefficients>
+ <covariance>
+ [[ 4.18445506e-04 8.91326521e-04 7.82706195e-05 3.87505902e-05
+ -6.41820762e-07 1.77706555e-06 -4.22308696e-06 -1.20238446e-06
+ -2.21311223e-06 8.34063416e-08]
+ [ 8.91326521e-04 2.21798182e-03 6.76145896e-04 1.57954074e-04
+ 4.58399725e-05 1.20184420e-05 -2.56493101e-06 -3.30862019e-06
+ -4.48652364e-06 -1.11277609e-06]
+ [ 7.82706195e-05 6.76145896e-04 9.83566067e-04 3.51397169e-04
+ 1.22248747e-04 4.71223090e-05 1.87122932e-05 5.82283436e-06
+ 1.55514566e-06 -3.91093310e-07]
+ [ 3.87505902e-05 1.57954074e-04 3.51397169e-04 4.26063515e-04
+ 1.90573897e-04 7.94718069e-05 3.65172524e-05 1.65166990e-05
+ 6.85981224e-06 2.18062641e-06]
+ [ -6.41820762e-07 4.58399725e-05 1.22248747e-04 1.90573897e-04
+ 2.20486777e-04 1.12160258e-04 5.23837624e-05 2.55969702e-05
+ 1.15774219e-05 3.87544519e-06]
+ [ 1.77706555e-06 1.20184420e-05 4.71223090e-05 7.94718069e-05
+ 1.12160258e-04 1.25859639e-04 6.90643091e-05 3.36301738e-05
+ 1.59755186e-05 5.49806095e-06]
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+ 5.23837624e-05 6.90643091e-05 7.57280897e-05 4.24613048e-05
+ 1.98656167e-05 7.14474581e-06]
+ [ -1.20238446e-06 -3.30862019e-06 5.82283436e-06 1.65166990e-05
+ 2.55969702e-05 3.36301738e-05 4.24613048e-05 4.53496391e-05
+ 2.42299375e-05 8.39343861e-06]
+ [ -2.21311223e-06 -4.48652364e-06 1.55514566e-06 6.85981224e-06
+ 1.15774219e-05 1.59755186e-05 1.98656167e-05 2.42299375e-05
+ 2.51655176e-05 1.02751162e-05]
+ [ 8.34063416e-08 -1.11277609e-06 -3.91093310e-07 2.18062641e-06
+ 3.87544519e-06 5.49806095e-06 7.14474581e-06 8.39343861e-06
+ 1.02751162e-05 9.43545491e-06]]
+ </covariance>
+ </outputs>
+ </pr_inversion>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/save_states/test.inv b/sasview/test/save_states/test.inv
new file mode 100644
index 0000000..964178d
--- /dev/null
+++ b/sasview/test/save_states/test.inv
@@ -0,0 +1,1316 @@
+<?xml version="1.0" ?>
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+ <SASentry>
+ <Title>
+ 1000A_sphere_sm.xml
+ </Title>
+ <Run>
+ 1000A_sphere_sm.xml
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+ </Idev>
+ </Idata>
+ <Idata>
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+ </Q>
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+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
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+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 0.0036075
+ </Q>
+ <I unit="1/cm">
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+ </I>
+ <Qdev unit="1/A">
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+ </Qdev>
+ <Idev unit="1/cm">
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+ </Idev>
+ </Idata>
+ <Idata>
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+ </Q>
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+ </Idev>
+ </Idata>
+ <Idata>
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+ </I>
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+ <Idev unit="1/cm">
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+ </Idev>
+ </Idata>
+ <Idata>
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+ </Q>
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+ </I>
+ <Qdev unit="1/A">
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+ </Qdev>
+ <Idev unit="1/cm">
+ 1.2822
+ </Idev>
+ </Idata>
+ <Idata>
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+ </Q>
+ <I unit="1/cm">
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+ </I>
+ <Qdev unit="1/A">
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+ </Qdev>
+ <Idev unit="1/cm">
+ 1.2226
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 0.004995
+ </Q>
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+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 1.1598
+ </Idev>
+ </Idata>
+ <Idata>
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+ </Q>
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+ </I>
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+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 1.0588
+ </Idev>
+ </Idata>
+ </SASdata>
+ <SASsample name="">
+ <ID>
+
+ </ID>
+ </SASsample>
+ <SASinstrument>
+ <name>
+
+ </name>
+ <SASsource/>
+ </SASinstrument>
+ <invariant version="1.0">
+ <filename>
+ 1000A_sphere_sm.xml
+ </filename>
+ <timestamp epoch="1289998130.41">
+ Wed Nov 17 07:48:50 2010
+ </timestamp>
+ <state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 1.76e-018
+ </volume_err_tcl>
+ <compute_num>
+ 1
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 4.07e-013
+ </volume_tcl>
+ <state_num>
+ 1
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 1.0
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 0.0
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <history>
+ <state_1>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 1.76e-018
+ </volume_err_tcl>
+ <compute_num>
+ 1
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 4.07e-013
+ </volume_tcl>
+ <state_num>
+ 1
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 1.0
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 0.0
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_1>
+ <state_0>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 1.76e-018
+ </volume_err_tcl>
+ <compute_num>
+ 0
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 4.07e-013
+ </volume_tcl>
+ <state_num>
+ 0
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 1.0
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 0.0
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_0>
+ </history>
+ <bookmark/>
+ </invariant>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/save_states/test002.inv b/sasview/test/save_states/test002.inv
new file mode 100644
index 0000000..be37a6b
--- /dev/null
+++ b/sasview/test/save_states/test002.inv
@@ -0,0 +1,3133 @@
+<?xml version="1.0" ?>
+<SASroot version="1.0" xmlns="cansas1d/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry>
+ <Title>
+
+ </Title>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">
+ 3.0525e-005
+ </Q>
+ <I unit="1/cm">
+ 277930.0
+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 3020.8
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 3.33e-005
+ </Q>
+ <I unit="1/cm">
+ 281470.0
+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 3015.1
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 3.885e-005
+ </Q>
+ <I unit="1/cm">
+ 276600.0
+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 1501.0
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 4.44e-005
+ </Q>
+ <I unit="1/cm">
+ 271150.0
+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 1493.6
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 4.995e-005
+ </Q>
+ <I unit="1/cm">
+ 268410.0
+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 1485.2
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 5.55e-005
+ </Q>
+ <I unit="1/cm">
+ 264480.0
+ </I>
+ <Qdev unit="1/A">
+ 0.0
+ </Qdev>
+ <Idev unit="1/cm">
+ 1475.8
+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 6.105e-005
+ </Q>
+ <I unit="1/cm">
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+ </I>
+ <Qdev unit="1/A">
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+ </Qdev>
+ <Idev unit="1/cm">
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+ </Idev>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">
+ 6.66e-005
+ </Q>
+ <I unit="1/cm">
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+ </I>
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+ </Qdev>
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+ </Idev>
+ </Idata>
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+ 7.215e-005
+ </Q>
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+ </I>
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+ </Qdev>
+ <Idev unit="1/cm">
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+ </Idev>
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+ 7.77e-005
+ </Q>
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+ </Qdev>
+ <Idev unit="1/cm">
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+ </Idev>
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+ <Q unit="1/A">
+ 8.325e-005
+ </Q>
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+ </I>
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+ </Qdev>
+ <Idev unit="1/cm">
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+ </Idev>
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+ 10
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+ </file>
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+ False
+ </is_time_machine>
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+ 10
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+ 2
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+ <fix_enable_low>
+ True
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+ <power_law_high>
+ False
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+ <fit_enable_high>
+ True
+ </fit_enable_high>
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+ <surface_err_tcl>
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+ </surface_err_tcl>
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+ 1
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+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_11>
+ <state_10>
+ <guinier>
+ True
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+ <npts_high_tcl>
+ 10
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+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 8.78e-019
+ </volume_err_tcl>
+ <compute_num>
+ 10
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.28e-014
+ </volume_tcl>
+ <state_num>
+ 10
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+ <power_law_low>
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+ <scale_tcl>
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+ <fix_enable_low>
+ True
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+ <power_law_high>
+ False
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+ <fit_enable_high>
+ False
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+ <fix_enable_high>
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+ </surface_err_tcl>
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+ <background_tcl>
+ 1
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+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_10>
+ <state_12>
+ <guinier>
+ True
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+ <npts_high_tcl>
+ 10
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+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
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+ <porod_constant_tcl>
+ 4
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+ <volume_err_tcl>
+ 1.08e-015
+ </volume_err_tcl>
+ <compute_num>
+ 12
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.35e-014
+ </volume_tcl>
+ <state_num>
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+ <power_law_low>
+ False
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+ <power_high_tcl>
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+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
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+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ True
+ </fit_enable_high>
+ <contrast_tcl>
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+ <fix_enable_high>
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+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.64e-011
+ </surface_err_tcl>
+ <power_low_tcl>
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+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_12>
+ <state_1>
+ <guinier>
+ True
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+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 1.76e-018
+ </volume_err_tcl>
+ <compute_num>
+ 0
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 4.07e-013
+ </volume_tcl>
+ <state_num>
+ 1
+ </state_num>
+ <power_law_low>
+ False
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+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 1.0
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_1>
+ <state_0>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 1.76e-018
+ </volume_err_tcl>
+ <compute_num>
+ 0
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 4.07e-013
+ </volume_tcl>
+ <state_num>
+ 0
+ </state_num>
+ <power_law_low>
+ False
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+ <power_high_tcl>
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+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 1.0
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 0.0
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_0>
+ <state_3>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 3
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_3>
+ <state_2>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 1.76e-018
+ </volume_err_tcl>
+ <compute_num>
+ 0
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 4.07e-013
+ </volume_tcl>
+ <state_num>
+ 2
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_2>
+ <state_5>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 5
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_5>
+ <state_4>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 4
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_4>
+ <state_7>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.81e-019
+ </volume_err_tcl>
+ <compute_num>
+ 6
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.04e-014
+ </volume_tcl>
+ <state_num>
+ 7
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_7>
+ <state_6>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.81e-019
+ </volume_err_tcl>
+ <compute_num>
+ 6
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.04e-014
+ </volume_tcl>
+ <state_num>
+ 6
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_6>
+ <state_9>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.42e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.94e-019
+ </volume_err_tcl>
+ <compute_num>
+ 8
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.19e-014
+ </volume_tcl>
+ <state_num>
+ 9
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_9>
+ <state_8>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.42e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.94e-019
+ </volume_err_tcl>
+ <compute_num>
+ 8
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.19e-014
+ </volume_tcl>
+ <state_num>
+ 8
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
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+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state_8>
+ </history>
+ <bookmark>
+ <mark_1>
+ <time>
+ 17:37:21
+ </time>
+ <date>
+ 7/23/2010
+ </date>
+ <state>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 3
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <comp_state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 3
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </comp_state>
+ </mark_1>
+ <mark_2>
+ <time>
+ 17:37:25
+ </time>
+ <date>
+ 7/23/2010
+ </date>
+ <state>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 4
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <comp_state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.03e-018
+ </volume_err_tcl>
+ <compute_num>
+ 3
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 8.13e-013
+ </volume_tcl>
+ <state_num>
+ 3
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 1.0
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </comp_state>
+ </mark_2>
+ <mark_3>
+ <time>
+ 17:37:30
+ </time>
+ <date>
+ 7/23/2010
+ </date>
+ <state>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.81e-019
+ </volume_err_tcl>
+ <compute_num>
+ 6
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.04e-014
+ </volume_tcl>
+ <state_num>
+ 6
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <comp_state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.81e-019
+ </volume_err_tcl>
+ <compute_num>
+ 6
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ False
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.04e-014
+ </volume_tcl>
+ <state_num>
+ 6
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </comp_state>
+ </mark_3>
+ <mark_4>
+ <time>
+ 17:37:34
+ </time>
+ <date>
+ 7/23/2010
+ </date>
+ <state>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.42e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.94e-019
+ </volume_err_tcl>
+ <compute_num>
+ 8
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.19e-014
+ </volume_tcl>
+ <state_num>
+ 8
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <comp_state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.42e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ False
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 7.94e-019
+ </volume_err_tcl>
+ <compute_num>
+ 8
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.19e-014
+ </volume_tcl>
+ <state_num>
+ 8
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4.0
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.22e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </comp_state>
+ </mark_4>
+ <mark_5>
+ <time>
+ 17:37:39
+ </time>
+ <date>
+ 7/23/2010
+ </date>
+ <state>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 8.78e-019
+ </volume_err_tcl>
+ <compute_num>
+ 10
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.28e-014
+ </volume_tcl>
+ <state_num>
+ 10
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.34e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <comp_state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 8.78e-019
+ </volume_err_tcl>
+ <compute_num>
+ 10
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.28e-014
+ </volume_tcl>
+ <state_num>
+ 10
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.34e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </comp_state>
+ </mark_5>
+ <mark_6>
+ <time>
+ 17:37:43
+ </time>
+ <date>
+ 7/23/2010
+ </date>
+ <state>
+ <guinier>
+ True
+ </guinier>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 8.78e-019
+ </volume_err_tcl>
+ <compute_num>
+ 10
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.28e-014
+ </volume_tcl>
+ <state_num>
+ 11
+ </state_num>
+ <power_law_low>
+ False
+ </power_law_low>
+ <power_high_tcl>
+ 4
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ True
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ False
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.34e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </state>
+ <comp_state>
+ <power_law_low>
+ False
+ </power_law_low>
+ <npts_high_tcl>
+ 10
+ </npts_high_tcl>
+ <surface_tcl>
+ 1.41e-009
+ </surface_tcl>
+ <enable_high_cbox>
+ True
+ </enable_high_cbox>
+ <porod_constant_tcl>
+ 4
+ </porod_constant_tcl>
+ <volume_err_tcl>
+ 8.78e-019
+ </volume_err_tcl>
+ <compute_num>
+ 10
+ </compute_num>
+ <file>
+ 1000A_sphere_sm.xml
+ </file>
+ <enable_low_cbox>
+ True
+ </enable_low_cbox>
+ <is_time_machine>
+ False
+ </is_time_machine>
+ <volume_tcl>
+ 9.28e-014
+ </volume_tcl>
+ <state_num>
+ 10
+ </state_num>
+ <guinier>
+ True
+ </guinier>
+ <power_high_tcl>
+ 4
+ </power_high_tcl>
+ <npts_low_tcl>
+ 10
+ </npts_low_tcl>
+ <scale_tcl>
+ 2
+ </scale_tcl>
+ <fix_enable_low>
+ True
+ </fix_enable_low>
+ <power_law_high>
+ False
+ </power_law_high>
+ <fit_enable_high>
+ False
+ </fit_enable_high>
+ <contrast_tcl>
+ 3
+ </contrast_tcl>
+ <fix_enable_high>
+ True
+ </fix_enable_high>
+ <surface_err_tcl>
+ 1.34e-014
+ </surface_err_tcl>
+ <power_low_tcl>
+ 4.0
+ </power_low_tcl>
+ <background_tcl>
+ 1
+ </background_tcl>
+ <fit_enable_low>
+ False
+ </fit_enable_low>
+ </comp_state>
+ </mark_6>
+ </bookmark>
+ </invariant>
+ </SASentry>
+</SASroot>
diff --git a/sasview/test/sesans_data/sphere2micron.ses b/sasview/test/sesans_data/sphere2micron.ses
new file mode 100644
index 0000000..21648ee
--- /dev/null
+++ b/sasview/test/sesans_data/sphere2micron.ses
@@ -0,0 +1,51 @@
+DataFileTitle "Polystyrene of Markus Strobl, Full Sine, ++ only "
+Sample "Polystyrene 2 um in 53% H2O, 47% D2O "
+Settings "D1=D2=20x8 mm,Ds = 16x10 mm (WxH), GF1 =scanning, GF2 = 2.5 A. 2 um polystyrene in 53% H2O, 47% D2O; 8.55% contrast "
+Operator CPD
+Date do 10 jul 2014 16:37:30
+ScanType sine one element scan
+Thickness [cm] 2.00E-01
+Q_zmax [\A^-1] 0.05
+Q_ymax [\A^-1] 0.05
+
+spin echo length [A] Depolarisation [A-2 cm-1] error depol [A-2 cm-1] error SEL [A] wavelength [A] error wavelength [A] polarisation error pol
+391.56 0.0041929 0.0036894 19.578 2.11 0.1055 1.0037 0.0032974
+1564 -0.0046571 0.0038185 78.2 2.11 0.1055 0.99586 0.003386
+2735.6 -0.017007 0.0038132 136.78 2.11 0.1055 0.98497 0.0033444
+3907.9 -0.033462 0.0035068 195.39 2.11 0.1055 0.97064 0.0030309
+5080.2 -0.047483 0.0038208 254.01 2.11 0.1055 0.9586 0.0032613
+6251.8 -0.070375 0.00376 312.59 2.11 0.1055 0.93926 0.0031446
+7423.2 -0.092217 0.0037927 371.16 2.11 0.1055 0.92117 0.0031108
+8595.5 -0.10238 0.004006 429.77 2.11 0.1055 0.91287 0.0032562
+9767.7 -0.12672 0.0038534 488.39 2.11 0.1055 0.8933 0.0030651
+10940 -0.1374 0.004243 546.98 2.11 0.1055 0.88484 0.003343
+12112 -0.16072 0.0045837 605.58 2.11 0.1055 0.86666 0.0035372
+13284 -0.16623 0.0045613 664.2 2.11 0.1055 0.86242 0.0035027
+14456 -0.18468 0.0044918 722.79 2.11 0.1055 0.84837 0.0033931
+15628 -0.19143 0.0048967 781.38 2.11 0.1055 0.84328 0.0036768
+16800 -0.20029 0.0045421 840.02 2.11 0.1055 0.83666 0.0033837
+17971 -0.19798 0.0046642 898.56 2.11 0.1055 0.83838 0.0034819
+19143 -0.21442 0.0047052 957.17 2.11 0.1055 0.82619 0.0034614
+20316 -0.20885 0.0044931 1015.8 2.11 0.1055 0.8303 0.0033218
+21488 -0.21393 0.0049186 1074.4 2.11 0.1055 0.82655 0.00362
+22660 -0.20685 0.004423 1133 2.11 0.1055 0.83179 0.0032758
+23832 -0.20802 0.0046979 1191.6 2.11 0.1055 0.83092 0.0034758
+25003 -0.19848 0.0045953 1250.2 2.11 0.1055 0.838 0.0034289
+26175 -0.21117 0.0044567 1308.8 2.11 0.1055 0.82859 0.0032881
+27347 -0.21283 0.004137 1367.4 2.11 0.1055 0.82736 0.0030477
+28520 -0.2042 0.0044587 1426 2.11 0.1055 0.83375 0.0033101
+29692 -0.2112 0.0042852 1484.6 2.11 0.1055 0.82857 0.0031615
+30864 -0.20319 0.0043483 1543.2 2.11 0.1055 0.8345 0.003231
+32036 -0.20752 0.0044297 1601.8 2.11 0.1055 0.83129 0.0032788
+33207 -0.20654 0.0043188 1660.4 2.11 0.1055 0.83201 0.0031995
+34380 -0.20126 0.0046375 1719 2.11 0.1055 0.83593 0.0034518
+35551 -0.20924 0.0042871 1777.6 2.11 0.1055 0.83001 0.0031684
+36724 -0.21323 0.0045471 1836.2 2.11 0.1055 0.82707 0.0033487
+37895 -0.21324 0.0045354 1894.7 2.11 0.1055 0.82706 0.00334
+39067 -0.19905 0.0044141 1953.4 2.11 0.1055 0.83758 0.003292
+40239 -0.1991 0.0047441 2012 2.11 0.1055 0.83754 0.003538
+41411 -0.20359 0.0050136 2070.5 2.11 0.1055 0.8342 0.003724
+42583 -0.21032 0.0049474 2129.1 2.11 0.1055 0.82922 0.0036529
+43755 -0.20689 0.0048203 2187.8 2.11 0.1055 0.83176 0.00357
+44927 -0.21075 0.0052337 2246.4 2.11 0.1055 0.8289 0.0038628
+46099 -0.19956 0.0047827 2304.9 2.11 0.1055 0.8372 0.0035653
diff --git a/sasview/test/upcoming_formats/1000A_sphere_sm.xml b/sasview/test/upcoming_formats/1000A_sphere_sm.xml
new file mode 100644
index 0000000..60d4e60
--- /dev/null
+++ b/sasview/test/upcoming_formats/1000A_sphere_sm.xml
@@ -0,0 +1,476 @@
+<?xml version="1.0"?>
+<SASroot xmlns="cansas1d/1.0" version="1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry>
+ <Title>1000A Sphere Simulated USANS Data</Title>
+ <Run/>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">3.0525e-05</Q>
+ <I unit="1/cm">2.7793e+05</I>
+ <Idev unit="1/cm">3020.8</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">3.33e-05</Q>
+ <I unit="1/cm">2.8147e+05</I>
+ <Idev unit="1/cm">3015.1</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">3.885e-05</Q>
+ <I unit="1/cm">2.766e+05</I>
+ <Idev unit="1/cm">1501</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">4.44e-05</Q>
+ <I unit="1/cm">2.7115e+05</I>
+ <Idev unit="1/cm">1493.6</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">4.995e-05</Q>
+ <I unit="1/cm">2.6841e+05</I>
+ <Idev unit="1/cm">1485.2</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">5.55e-05</Q>
+ <I unit="1/cm">2.6448e+05</I>
+ <Idev unit="1/cm">1475.8</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">6.105e-05</Q>
+ <I unit="1/cm">2.6446e+05</I>
+ <Idev unit="1/cm">14655</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">6.66e-05</Q>
+ <I unit="1/cm">2.5808e+05</I>
+ <Idev unit="1/cm">1454.3</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">7.215e-05</Q>
+ <I unit="1/cm">2.558e+05</I>
+ <Idev unit="1/cm">1442.2</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">7.77e-05</Q>
+ <I unit="1/cm">2.4752e+05</I>
+ <Idev unit="1/cm">1429.2</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">8.325e-05</Q>
+ <I unit="1/cm">2.453e+05</I>
+ <Idev unit="1/cm">1415.3</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">8.88e-05</Q>
+ <I unit="1/cm">2.4054e+05</I>
+ <Idev unit="1/cm">1400.6</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">9.435e-05</Q>
+ <I unit="1/cm">2.3471e+05</I>
+ <Idev unit="1/cm">1385</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">9.99e-05</Q>
+ <I unit="1/cm">2.2819e+05</I>
+ <Idev unit="1/cm">13687</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.00010545</Q>
+ <I unit="1/cm">2.239e+05</I>
+ <Idev unit="1/cm">1351.5</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.000111</Q>
+ <I unit="1/cm">2.166e+05</I>
+ <Idev unit="1/cm">769.97</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001221</Q>
+ <I unit="1/cm">2.0398e+05</I>
+ <Idev unit="1/cm">748.05</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001332</Q>
+ <I unit="1/cm">1.9273e+05</I>
+ <Idev unit="1/cm">724.56</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001443</Q>
+ <I unit="1/cm">1.7835e+05</I>
+ <Idev unit="1/cm">699.64</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001554</Q>
+ <I unit="1/cm">1.6642e+05</I>
+ <Idev unit="1/cm">673.42</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001665</Q>
+ <I unit="1/cm">1.5183e+05</I>
+ <Idev unit="1/cm">6460.6</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001776</Q>
+ <I unit="1/cm">1.3884e+05</I>
+ <Idev unit="1/cm">617.69</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001887</Q>
+ <I unit="1/cm">1.2706e+05</I>
+ <Idev unit="1/cm">588.49</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0001998</Q>
+ <I unit="1/cm">1.1493e+05</I>
+ <Idev unit="1/cm">558.61</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0002109</Q>
+ <I unit="1/cm">1.0191e+05</I>
+ <Idev unit="1/cm">528.21</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.000222</Q>
+ <I unit="1/cm">91251</I>
+ <Idev unit="1/cm">497.46</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0002331</Q>
+ <I unit="1/cm">79895</I>
+ <Idev unit="1/cm">466.55</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0002442</Q>
+ <I unit="1/cm">69495</I>
+ <Idev unit="1/cm">4356.1</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0002553</Q>
+ <I unit="1/cm">59637</I>
+ <Idev unit="1/cm">404.85</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0002664</Q>
+ <I unit="1/cm">50908</I>
+ <Idev unit="1/cm">374.42</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0002775</Q>
+ <I unit="1/cm">43129</I>
+ <Idev unit="1/cm">243.59</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.00030525</Q>
+ <I unit="1/cm">27529</I>
+ <Idev unit="1/cm">193.1</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.000333</Q>
+ <I unit="1/cm">15863</I>
+ <Idev unit="1/cm">147.72</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.00036075</Q>
+ <I unit="1/cm">8965.4</I>
+ <Idev unit="1/cm">109.87</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.0003885</Q>
+ <I unit="1/cm">5132.7</I>
+ <Idev unit="1/cm">826.83</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.00041625</Q>
+ <I unit="1/cm">3514.3</I>
+ <Idev unit="1/cm">69.119</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
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+ <I unit="1/cm">3347.5</I>
+ <Idev unit="1/cm">67.988</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
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+ <I unit="1/cm">3801.3</I>
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+ <dQl>0.117</dQl>
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+ <I unit="1/cm">4566.8</I>
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+ <dQl>0.117</dQl>
+ </Idata>
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+ <dQl>0.117</dQl>
+ </Idata>
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+ </Idata>
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+ <Q unit="1/A">0.0052725</Q>
+ <I unit="1/cm">5.4676</I>
+ <Idev unit="1/cm">1.0588</Idev>
+ <dQl>0.117</dQl>
+ </Idata>
+ </SASdata>
+ <SASsample>
+ <ID>X1000A_mod</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>NIST IGOR Procedures</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>Re-written data</name>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess name="NIST IGOR">
+ <SASprocessnote>Modified data written from folder X1000A_mod on Wed, May 26, 2010 3:00:24 PM</SASprocessnote>
+ </SASprocess>
+ <SASnote/>
+ </SASentry>
+</SASroot>
diff --git a/sasview/version.txt b/sasview/version.txt
new file mode 100755
index 0000000..14bb15f
--- /dev/null
+++ b/sasview/version.txt
@@ -0,0 +1,44 @@
+# UTF-8
+#
+# For more details about fixed file info 'ffi' see:
+# http://msdn.microsoft.com/en-us/library/ms646997.aspx
+VSVersionInfo(
+ ffi=FixedFileInfo(
+ # filevers and prodvers should be always a tuple with four items: (1, 2, 3, 4)
+ # Set not needed items to zero 0.
+ filevers=(0, 0, 0, 0),
+ prodvers=(4, 1, 0, 0),
+ # Contains a bitmask that specifies the valid bits 'flags'
+ mask=0x3f,
+ # Contains a bitmask that specifies the Boolean attributes of the file.
+ flags=0x0,
+ # The operating system for which this file was designed.
+ # 0x4 - NT and there is no need to change it.
+ OS=0x4,
+ # The general type of file.
+ # 0x1 - the file is an application.
+ fileType=0x1,
+ # The function of the file.
+ # 0x0 - the function is not defined for this fileType
+ subtype=0x0,
+ # Creation date and time stamp.
+ date=(0, 0)
+ ),
+ kids=[
+ StringFileInfo(
+ [
+ StringTable(
+ u'040904b0',
+ [StringStruct(u'CompanyName', u'SAS Community Project'),
+ StringStruct(u'ProductName', u'SasView'),
+ StringStruct(u'ProductVersion', u'4, 0, 0, 0'),
+ StringStruct(u'InternalName', u'SasView'),
+ StringStruct(u'OriginalFilename', u'sasview.exe'),
+ StringStruct(u'FileVersion', u'96, 12, 19, 1'),
+ StringStruct(u'FileDescription', u'SasView'),
+ StringStruct(u'LegalCopyright', u'Free'),])
+ ]),
+ VarFileInfo([VarStruct(u'Translation', [1033, 1200])])
+ ]
+)
+
diff --git a/sasview/welcome_panel.py b/sasview/welcome_panel.py
new file mode 100644
index 0000000..73173c7
--- /dev/null
+++ b/sasview/welcome_panel.py
@@ -0,0 +1,180 @@
+"""
+ Welcome page
+"""
+import wx
+import wx.aui
+import wx.lib.hyperlink
+import os.path
+import os, sys
+import local_config as config
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.guiframe.panel_base import PanelBase
+#Font size width
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+else:
+ FONT_VARIANT = 1
+
+class WelcomePanel(wx.aui.AuiNotebook, PanelBase):
+ """
+ Panel created like about box as a welcome page
+ Shows product name, current version, authors,
+ and link to the product page.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "default"
+ ## Name to appear on the window title bar
+ window_caption = "Welcome panel"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+
+ def __init__(self, parent, *args, **kwds):
+ kwds["style"] = wx.aui.AUI_NB_DEFAULT_STYLE
+
+ wx.aui.AuiNotebook.__init__(self, parent, *args, **kwds)
+ PanelBase.__init__(self)
+ #For sasview the parent is guiframe
+ self.parent = parent.parent
+ self.frame = None
+ self.manager = None
+
+ welcome_page = WelcomePage(self)
+ self.AddPage(welcome_page, "Welcome")
+
+ self.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CLOSE, self.on_close_page)
+ self.Center()
+
+ def set_manager(self, manager):
+ """
+ the manager of the panel in this case the application itself
+ """
+ self.manager = manager
+
+ def on_close_page(self, event):
+ """
+ Called when the welcome panel is closed
+ """
+ if self.parent is not None:
+ self.parent.on_close_welcome_panel()
+ event.Veto()
+
+ def set_data(self, data=None):
+ """
+ """
+ pass
+
+ def set_frame(self, frame):
+ """
+ """
+ self.frame = frame
+ if frame != None:
+ self.frame.Bind(wx.EVT_CLOSE, self.on_close_page)
+
+ def get_frame(self):
+ """
+ """
+ return self.frame
+
+
+class WelcomePage(ScrolledPanel):
+ """
+ Panel created like about box as a welcome page
+ Shows product name, current version, authors,
+ and link to the product page.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "default"
+ ## Name to appear on the window title bar
+ window_caption = "Welcome panel"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+
+ def __init__(self, parent, *args, **kwds):
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+
+ ScrolledPanel.__init__(self, parent, **kwds)
+ self.SetupScrolling()
+ image = os.path.join(config._welcome_image)
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.bitmap_logo = wx.StaticBitmap(self, -1, wx.Bitmap(image))
+
+ self.label_copyright = wx.StaticText(self, -1, config._copyright)
+ self.static_line_1 = wx.StaticLine(self, -1)
+ self.label_acknowledgement = wx.StaticText(self, -1,
+ config._acknowledgement)
+
+ self.hyperlink_license = wx.StaticText(self, -1,
+ "Comments? Bugs? Requests?")
+ send_ticket = "Send us a ticket at: "
+ send_ticket += "help at sasview.org"
+ self.hyperlink_paper = \
+ wx.lib.hyperlink.HyperLinkCtrl(self, -1,
+ send_ticket, URL=config._license)
+
+ self.label_title = \
+ wx.StaticText(self, -1,
+ config.__appname__ + " " + str(config.__version__))
+ try:
+ build_num = str(config.__build__)
+ except:
+ build_num = str(config.__version__)
+ self.label_build = wx.StaticText(self, -1, "Build: " + build_num)
+
+ sizer_main = wx.BoxSizer(wx.VERTICAL)
+ sizer_header = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_build = wx.BoxSizer(wx.VERTICAL)
+
+ sizer_header.Add(self.bitmap_logo, 0, wx.EXPAND | wx.LEFT, 5)
+
+ sizer_build.Add(self.label_acknowledgement, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_build.Add((5, 5))
+ sizer_build.Add(self.label_title, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_build.Add(self.label_build, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_build.Add(self.label_copyright, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_build.Add((5, 5))
+ sizer_build.Add(self.hyperlink_license, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_build.Add(self.hyperlink_paper, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ sizer_main.Add(sizer_header, 0, wx.TOP | wx.EXPAND, 3)
+ sizer_main.Add(self.static_line_1, 0, wx.EXPAND, 0)
+ sizer_main.Add(sizer_build, 0, wx.BOTTOM | wx.EXPAND, 3)
+
+ self.SetAutoLayout(True)
+ self.SetSizer(sizer_main)
+ self.Fit()
+
+ def set_data(self, data=None):
+ """
+ """
+ pass
+
+class ViewApp(wx.App):
+ """
+ Test application
+ """
+ def OnInit(self):
+ self.frame = WelcomeFrame(None, -1, "Test App")
+ self.frame.Show(True)
+ return True
+
+class WelcomeFrame(wx.Frame):
+ """
+ Test frame
+ """
+ def __init__(self, parent, id, title):
+ wx.Frame.__init__(self, parent, id, title, size=(570, 400))
+ WelcomePanel(self)
+ self.Centre()
+ self.Show(True)
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
diff --git a/sasview/wxcruft.py b/sasview/wxcruft.py
new file mode 100644
index 0000000..b2c11f4
--- /dev/null
+++ b/sasview/wxcruft.py
@@ -0,0 +1,165 @@
+import inspect
+import wx
+from wx import Timer
+import wx._misc
+
+def call_later_fix():
+ # TODO: test if we need the fix
+ wx.CallLater = CallLater
+ wx.FutureCall = FutureCall
+ wx.PyTimer = PyTimer
+
+def trace_new_id():
+ wx.NewId = NewId
+
+def NewId():
+ id = wx._misc.NewId()
+ path, line, function = _get_caller()
+ if path == "sas/guiframe/utils.py":
+ # Special case: NewId is being called via an IdList request; we
+ # want to which widget triggered the request, not that it was
+ # triggered via IdList.
+ path, line, function = _get_caller(2)
+ tag = " via IdList"
+ elif path.endswith("/wxcruft.py"):
+ # Special case: NewId is being called via CallLater; we want to
+ # know where the CallLater was invoked.
+ path, line, function = _get_caller(1)
+ tag = " via CallLater"
+ else:
+ tag = ""
+ print "NewId %d from %s(%d):%s%s"%(id, path, line, function, tag)
+ return id
+
+def _get_caller(distance=0):
+ frame = inspect.stack()[distance+2]
+ path = frame[1]
+ index = path.find('/sas/')
+ if index == -1: index = path.find('\\sas\\')
+ return path[index+1:], frame[2], frame[3]
+
+
+
+# ==========================================================================
+# Hacked versions of CallLater and PyTimer so that the main GUI loop doesn't
+# eat wx ids.
+# Changed lines are marked #PAK
+# ==========================================================================
+
+# For backwards compatibility with 2.4
+class PyTimer(Timer):
+ def __init__(self, notify, *args, **kw): #PAK
+ Timer.__init__(self, *args, **kw) #PAK
+ self.notify = notify
+
+ def Notify(self):
+ if self.notify:
+ self.notify()
+
+
+class CallLater:
+ """
+ A convenience class for `wx.Timer`, that calls the given callable
+ object once after the given amount of milliseconds, passing any
+ positional or keyword args. The return value of the callable is
+ availbale after it has been run with the `GetResult` method.
+
+ If you don't need to get the return value or restart the timer
+ then there is no need to hold a reference to this object.
+
+ :see: `wx.CallAfter`
+ """
+
+ __RUNNING = set()
+
+ def __init__(self, millis, callableObj, *args, **kwargs):
+ # print "=================== entering CallLater constructor"
+ assert callable(callableObj), "callableObj is not callable"
+ self.millis = millis
+ self.callable = callableObj
+ self.SetArgs(*args, **kwargs)
+ self.runCount = 0
+ self.running = False
+ self.hasRun = False
+ self.result = None
+ self.timer = None
+ self.id = wx.NewId() # PAK
+ self.Start()
+
+
+ def Start(self, millis=None, *args, **kwargs):
+ """
+ (Re)start the timer
+ """
+ self.hasRun = False
+ if millis is not None:
+ self.millis = millis
+ if args or kwargs:
+ self.SetArgs(*args, **kwargs)
+ self.Stop()
+ self.timer = PyTimer(self.Notify, id=self.id) # PAK
+ self.timer.Start(self.millis, wx.TIMER_ONE_SHOT)
+ self.running = True
+ self.__RUNNING.add(self)
+ Restart = Start
+
+
+ def Stop(self):
+ """
+ Stop and destroy the timer.
+ """
+ if self.timer is not None:
+ self.timer.Stop()
+ self.timer = None
+ self.__RUNNING.discard(self)
+
+
+ def GetInterval(self):
+ if self.timer is not None:
+ return self.timer.GetInterval()
+ else:
+ return 0
+
+
+ def IsRunning(self):
+ return self.timer is not None and self.timer.IsRunning()
+
+
+ def SetArgs(self, *args, **kwargs):
+ """
+ (Re)set the args passed to the callable object. This is
+ useful in conjunction with Restart if you want to schedule a
+ new call to the same callable object but with different
+ parameters.
+ """
+ self.args = args
+ self.kwargs = kwargs
+
+
+ def HasRun(self):
+ return self.hasRun
+
+
+ def GetResult(self):
+ return self.result
+
+
+ def Notify(self):
+ """
+ The timer has expired so call the callable.
+ """
+ if self.callable and getattr(self.callable, 'im_self', True):
+ self.runCount += 1
+ self.running = False
+ self.result = self.callable(*self.args, **self.kwargs)
+ self.hasRun = True
+ if not self.running:
+ # if it wasn't restarted, then cleanup
+ wx.CallAfter(self.Stop)
+
+ Interval = property(GetInterval)
+ Result = property(GetResult)
+
+
+class FutureCall(CallLater):
+ """A compatibility alias for `CallLater`."""
diff --git a/setup.py b/setup.py
new file mode 100755
index 0000000..d6093f8
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,370 @@
+"""
+ Setup for SasView
+ #TODO: Add checks to see that all the dependencies are on the system
+"""
+import sys
+import os
+import shutil
+from setuptools import setup, Extension
+from distutils.command.build_ext import build_ext
+from distutils.core import Command
+import numpy
+
+# Manage version number ######################################
+import sasview
+VERSION = sasview.__version__
+##############################################################
+
+package_dir = {}
+package_data = {}
+packages = []
+ext_modules = []
+
+# Remove all files that should be updated by this setup
+# We do this here because application updates these files from .sasview
+# except when there is no such file
+# Todo : make this list generic
+#plugin_model_list = ['polynominal5.py', 'sph_bessel_jn.py',
+# 'sum_Ap1_1_Ap2.py', 'sum_p1_p2.py',
+# 'testmodel_2.py', 'testmodel.py',
+# 'polynominal5.pyc', 'sph_bessel_jn.pyc',
+# 'sum_Ap1_1_Ap2.pyc', 'sum_p1_p2.pyc',
+# 'testmodel_2.pyc', 'testmodel.pyc', 'plugins.log']
+
+CURRENT_SCRIPT_DIR = os.path.dirname(os.path.abspath(__file__))
+SASVIEW_BUILD = os.path.join(CURRENT_SCRIPT_DIR, "build")
+
+sas_dir = os.path.join(os.path.expanduser("~"),'.sasview')
+if os.path.isdir(sas_dir):
+ f_path = os.path.join(sas_dir, "sasview.log")
+ if os.path.isfile(f_path):
+ os.remove(f_path)
+ f_path = os.path.join(sas_dir, "categories.json")
+ if os.path.isfile(f_path):
+ os.remove(f_path)
+ f_path = os.path.join(sas_dir, 'config', "custom_config.py")
+ if os.path.isfile(f_path):
+ os.remove(f_path)
+ #f_path = os.path.join(sas_dir, 'plugin_models')
+ #if os.path.isdir(f_path):
+ # for f in os.listdir(f_path):
+ # if f in plugin_model_list:
+ # file_path = os.path.join(f_path, f)
+ # os.remove(file_path)
+ if os.path.exists(SASVIEW_BUILD):
+ print "Removing existing build directory", SASVIEW_BUILD, "for a clean build"
+ shutil.rmtree(SASVIEW_BUILD)
+
+# 'sys.maxsize' and 64bit: Not supported for python2.5
+is_64bits = False
+if sys.version_info >= (2, 6):
+ is_64bits = sys.maxsize > 2**32
+
+enable_openmp = False
+
+if sys.platform =='darwin':
+ if not is_64bits:
+ # Disable OpenMP
+ enable_openmp = False
+ else:
+ # Newer versions of Darwin don't support openmp
+ try:
+ darwin_ver = int(os.uname()[2].split('.')[0])
+ if darwin_ver >= 12:
+ enable_openmp = False
+ except:
+ print "PROBLEM determining Darwin version"
+
+# Options to enable OpenMP
+copt = {'msvc': ['/openmp'],
+ 'mingw32' : ['-fopenmp'],
+ 'unix' : ['-fopenmp']}
+lopt = {'msvc': ['/MANIFEST'],
+ 'mingw32' : ['-fopenmp'],
+ 'unix' : ['-lgomp']}
+
+# Platform-specific link options
+platform_lopt = {'msvc' : ['/MANIFEST']}
+platform_copt = {}
+
+# Set copts to get compile working on OS X >= 10.9 using clang
+if sys.platform =='darwin':
+ try:
+ darwin_ver = int(os.uname()[2].split('.')[0])
+ if darwin_ver >= 13 and darwin_ver < 14:
+ platform_copt = {'unix' : ['-Wno-error=unused-command-line-argument-hard-error-in-future']}
+ except:
+ print "PROBLEM determining Darwin version"
+
+class DisableOpenMPCommand(Command):
+ description = "The version of MinGW that comes with Anaconda does not come with OpenMP :( "\
+ "This commands means we can turn off compiling with OpenMP for this or any "\
+ "other reason."
+ user_options = []
+
+ def initialize_options(self):
+ self.cwd = None
+
+ def finalize_options(self):
+ self.cwd = os.getcwd()
+ global enable_openmp
+ enable_openmp = False
+
+ def run(self):
+ pass
+
+class build_ext_subclass( build_ext ):
+ def build_extensions(self):
+ # Get 64-bitness
+ c = self.compiler.compiler_type
+ print "Compiling with %s (64bit=%s)" % (c, str(is_64bits))
+
+ # OpenMP build options
+ if enable_openmp:
+ if copt.has_key(c):
+ for e in self.extensions:
+ e.extra_compile_args = copt[ c ]
+ if lopt.has_key(c):
+ for e in self.extensions:
+ e.extra_link_args = lopt[ c ]
+
+ # Platform-specific build options
+ if platform_lopt.has_key(c):
+ for e in self.extensions:
+ e.extra_link_args = platform_lopt[ c ]
+
+ if platform_copt.has_key(c):
+ for e in self.extensions:
+ e.extra_compile_args = platform_copt[ c ]
+
+
+ build_ext.build_extensions(self)
+
+class BuildSphinxCommand(Command):
+ description = "Build Sphinx documentation."
+ user_options = []
+
+ def initialize_options(self):
+ self.cwd = None
+
+ def finalize_options(self):
+ self.cwd = os.getcwd()
+
+ def run(self):
+ sys.path.append("docs/sphinx-docs")
+ import build_sphinx
+ build_sphinx.rebuild()
+
+# sas module
+package_dir["sas"] = os.path.join("src", "sas")
+packages.append("sas")
+
+# sas module
+package_dir["sas.sasgui"] = os.path.join("src", "sas", "sasgui")
+packages.append("sas.sasgui")
+
+# sas module
+package_dir["sas.sascalc"] = os.path.join("src", "sas", "sascalc")
+packages.append("sas.sascalc")
+
+# sas.sascalc.invariant
+package_dir["sas.sascalc.invariant"] = os.path.join("src", "sas", "sascalc", "invariant")
+packages.extend(["sas.sascalc.invariant"])
+
+# sas.sasgui.guiframe
+guiframe_path = os.path.join("src", "sas", "sasgui", "guiframe")
+package_dir["sas.sasgui.guiframe"] = guiframe_path
+package_dir["sas.sasgui.guiframe.local_perspectives"] = os.path.join(os.path.join(guiframe_path, "local_perspectives"))
+package_data["sas.sasgui.guiframe"] = ['images/*', 'media/*']
+packages.extend(["sas.sasgui.guiframe", "sas.sasgui.guiframe.local_perspectives"])
+# build local plugin
+for d in os.listdir(os.path.join(guiframe_path, "local_perspectives")):
+ if d not in ['.svn','__init__.py', '__init__.pyc']:
+ package_name = "sas.sasgui.guiframe.local_perspectives." + d
+ packages.append(package_name)
+ package_dir[package_name] = os.path.join(guiframe_path, "local_perspectives", d)
+
+# sas.sascalc.dataloader
+package_dir["sas.sascalc.dataloader"] = os.path.join("src", "sas", "sascalc", "dataloader")
+package_data["sas.sascalc.dataloader.readers"] = ['defaults.json','schema/*.xsd']
+packages.extend(["sas.sascalc.dataloader","sas.sascalc.dataloader.readers","sas.sascalc.dataloader.readers.schema"])
+
+# sas.sascalc.calculator
+gen_dir = os.path.join("src", "sas", "sascalc", "calculator", "c_extensions")
+package_dir["sas.sascalc.calculator.core"] = gen_dir
+package_dir["sas.sascalc.calculator"] = os.path.join("src", "sas", "sascalc", "calculator")
+packages.extend(["sas.sascalc.calculator","sas.sascalc.calculator.core"])
+ext_modules.append( Extension("sas.sascalc.calculator.core.sld2i",
+ sources = [
+ os.path.join(gen_dir, "sld2i_module.cpp"),
+ os.path.join(gen_dir, "sld2i.cpp"),
+ os.path.join(gen_dir, "libfunc.c"),
+ os.path.join(gen_dir, "librefl.c"),
+ ],
+ include_dirs=[gen_dir],
+ )
+)
+
+# sas.sascalc.pr
+srcdir = os.path.join("src", "sas", "sascalc", "pr", "c_extensions")
+package_dir["sas.sascalc.pr.core"] = srcdir
+package_dir["sas.sascalc.pr"] = os.path.join("src","sas", "sascalc", "pr")
+packages.extend(["sas.sascalc.pr","sas.sascalc.pr.core"])
+ext_modules.append( Extension("sas.sascalc.pr.core.pr_inversion",
+ sources = [os.path.join(srcdir, "Cinvertor.c"),
+ os.path.join(srcdir, "invertor.c"),
+ ],
+ include_dirs=[],
+ ) )
+
+# sas.sascalc.file_converter
+mydir = os.path.join("src", "sas", "sascalc", "file_converter", "c_ext")
+package_dir["sas.sascalc.file_converter.core"] = mydir
+package_dir["sas.sascalc.file_converter"] = os.path.join("src","sas", "sascalc", "file_converter")
+packages.extend(["sas.sascalc.file_converter","sas.sascalc.file_converter.core"])
+ext_modules.append( Extension("sas.sascalc.file_converter.core.bsl_loader",
+ sources = [os.path.join(mydir, "bsl_loader.c")],
+ include_dirs=[numpy.get_include()],
+ ) )
+
+#sas.sascalc.corfunc
+package_dir["sas.sascalc.corfunc"] = os.path.join("src", "sas", "sascalc", "corfunc")
+packages.extend(["sas.sascalc.corfunc"])
+
+# sas.sascalc.fit
+package_dir["sas.sascalc.fit"] = os.path.join("src", "sas", "sascalc", "fit")
+packages.append("sas.sascalc.fit")
+
+# Perspectives
+package_dir["sas.sasgui.perspectives"] = os.path.join("src", "sas", "sasgui", "perspectives")
+package_dir["sas.sasgui.perspectives.pr"] = os.path.join("src", "sas", "sasgui", "perspectives", "pr")
+packages.extend(["sas.sasgui.perspectives","sas.sasgui.perspectives.pr"])
+package_data["sas.sasgui.perspectives.pr"] = ['media/*']
+
+package_dir["sas.sasgui.perspectives.invariant"] = os.path.join("src", "sas", "sasgui", "perspectives", "invariant")
+packages.extend(["sas.sasgui.perspectives.invariant"])
+package_data['sas.sasgui.perspectives.invariant'] = [os.path.join("media",'*')]
+
+package_dir["sas.sasgui.perspectives.fitting"] = os.path.join("src", "sas", "sasgui", "perspectives", "fitting")
+package_dir["sas.sasgui.perspectives.fitting.plugin_models"] = os.path.join("src", "sas", "sasgui", "perspectives", "fitting", "plugin_models")
+packages.extend(["sas.sasgui.perspectives.fitting", "sas.sasgui.perspectives.fitting.plugin_models"])
+package_data['sas.sasgui.perspectives.fitting'] = ['media/*', 'plugin_models/*']
+
+packages.extend(["sas.sasgui.perspectives", "sas.sasgui.perspectives.calculator"])
+package_data['sas.sasgui.perspectives.calculator'] = ['images/*', 'media/*']
+
+package_dir["sas.sasgui.perspectives.corfunc"] = os.path.join("src", "sas", "sasgui", "perspectives", "corfunc")
+packages.extend(["sas.sasgui.perspectives.corfunc"])
+package_data['sas.sasgui.perspectives.corfunc'] = ['media/*']
+
+package_dir["sas.sasgui.perspectives.file_converter"] = os.path.join("src", "sas", "sasgui", "perspectives", "file_converter")
+packages.extend(["sas.sasgui.perspectives.file_converter"])
+package_data['sas.sasgui.perspectives.file_converter'] = ['media/*']
+
+# Data util
+package_dir["sas.sascalc.data_util"] = os.path.join("src", "sas", "sascalc", "data_util")
+packages.append("sas.sascalc.data_util")
+
+# Plottools
+package_dir["sas.sasgui.plottools"] = os.path.join("src", "sas", "sasgui", "plottools")
+packages.append("sas.sasgui.plottools")
+
+# # Last of the sas.models
+# package_dir["sas.models"] = os.path.join("src", "sas", "models")
+# packages.append("sas.models")
+
+EXTENSIONS = [".c", ".cpp"]
+
+def append_file(file_list, dir_path):
+ """
+ Add sources file to sources
+ """
+ for f in os.listdir(dir_path):
+ if os.path.isfile(os.path.join(dir_path, f)):
+ _, ext = os.path.splitext(f)
+ if ext.lower() in EXTENSIONS:
+ file_list.append(os.path.join(dir_path, f))
+ elif os.path.isdir(os.path.join(dir_path, f)) and \
+ not f.startswith("."):
+ sub_dir = os.path.join(dir_path, f)
+ for new_f in os.listdir(sub_dir):
+ if os.path.isfile(os.path.join(sub_dir, new_f)):
+ _, ext = os.path.splitext(new_f)
+ if ext.lower() in EXTENSIONS:
+ file_list.append(os.path.join(sub_dir, new_f))
+
+# Comment out the following to avoid rebuilding all the models
+file_sources = []
+append_file(file_sources, gen_dir)
+
+#Wojtek's hacky way to add doc files while bundling egg
+#def add_doc_files(directory):
+# paths = []
+# for (path, directories, filenames) in os.walk(directory):
+# for filename in filenames:
+# paths.append(os.path.join(path, filename))
+# return paths
+
+#doc_files = add_doc_files('doc')
+
+# SasView
+package_dir["sas.sasview"] = "sasview"
+package_data['sas.sasview'] = ['images/*',
+ 'media/*',
+ 'test/*.txt',
+ 'test/1d_data/*',
+ 'test/2d_data/*',
+ 'test/convertible_files/*',
+ 'test/coordinate_data/*',
+ 'test/image_data/*',
+ 'test/media/*',
+ 'test/other_files/*',
+ 'test/save_states/*',
+ 'test/sesans_data/*'
+ ]
+packages.append("sas.sasview")
+
+required = [
+ 'bumps>=0.7.5.9', 'periodictable>=1.3.1', 'pyparsing<2.0.0',
+
+ # 'lxml>=2.2.2',
+ 'lxml', 'h5py',
+
+ ## The following dependecies won't install automatically, so assume them
+ ## The numbers should be bumped up for matplotlib and wxPython as well.
+ # 'numpy>=1.4.1', 'scipy>=0.7.2', 'matplotlib>=0.99.1.1',
+ # 'wxPython>=2.8.11', 'pil',
+ ]
+
+if os.name=='nt':
+ required.extend(['html5lib', 'reportlab'])
+else:
+ # 'pil' is now called 'pillow'
+ required.extend(['pillow'])
+
+# Set up SasView
+setup(
+ name="sasview",
+ version = VERSION,
+ description = "SasView application",
+ author = "SasView Team",
+ author_email = "developers at sasview.org",
+ url = "http://sasview.org",
+ license = "PSF",
+ keywords = "small-angle x-ray and neutron scattering analysis",
+ download_url = "https://github.com/SasView/sasview.git",
+ package_dir = package_dir,
+ packages = packages,
+ package_data = package_data,
+ ext_modules = ext_modules,
+ install_requires = required,
+ zip_safe = False,
+ entry_points = {
+ 'console_scripts':[
+ "sasview = sas.sasview.sasview:run",
+ ]
+ },
+ cmdclass = {'build_ext': build_ext_subclass,
+ 'docs': BuildSphinxCommand,
+ 'disable_openmp': DisableOpenMPCommand}
+ )
diff --git a/src/__init__.py b/src/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/examples/P_New.sans b/src/examples/P_New.sans
new file mode 100644
index 0000000..cd49ac2
--- /dev/null
+++ b/src/examples/P_New.sans
@@ -0,0 +1,16393 @@
+FORMATVERSION:2
+WAVELENGTH:7.5
+DISTANCE:5.41499
+CENTER_X:68.74
+CENTER_Y:64.77
+PIXELSIZE:5.0
+SIZE_X:128
+SIZE_Y:128
+DATA:
+1.57831 1.37607
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\ No newline at end of file
diff --git a/src/examples/data_generator/linear.txt b/src/examples/data_generator/linear.txt
new file mode 100644
index 0000000..2152100
--- /dev/null
+++ b/src/examples/data_generator/linear.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 4.21109 0.28175
+0.213878 4.39887 0.317429
+0.417755 5.41562 0.353107
+0.621633 5.75563 0.388786
+0.82551 5.33939 0.424464
+1.02939 6.45678 0.460143
+1.23327 6.79205 0.495821
+1.43714 7.93867 0.5315
+1.64102 7.75161 0.567179
+1.8449 7.95457 0.602857
+2.04878 8.17361 0.638536
+2.25265 9.29893 0.674214
+2.45653 9.54271 0.709893
+2.66041 11.0321 0.745571
+2.86429 11.9139 0.78125
+3.06816 11.8059 0.816929
+3.27204 13.3123 0.852607
+3.47592 11.2891 0.888286
+3.6798 13.3376 0.923964
+3.88367 12.1024 0.959643
+4.08755 14.3129 0.995321
+4.29143 13.9388 1.031
+4.49531 16.1019 1.06668
+4.69918 16.898 1.10236
+4.90306 15.3141 1.13804
+5.10694 15.7769 1.17371
+5.31082 18.941 1.20939
+5.51469 18.2135 1.24507
+5.71857 19.405 1.28075
+5.92245 16.8944 1.31643
+6.12633 18.5731 1.35211
+6.3302 21.66 1.38779
+6.53408 21.9511 1.42346
+6.73796 20.6503 1.45914
+6.94184 22.065 1.49482
+7.14571 21.2012 1.5305
+7.34959 22.9362 1.56618
+7.55347 19.9378 1.60186
+7.75735 21.9261 1.63754
+7.96122 21.8531 1.67321
+8.1651 24.2046 1.70889
+8.36898 23.823 1.74457
+8.57286 24.7334 1.78025
+8.77673 24.1946 1.81593
+8.98061 27.4704 1.85161
+9.18449 27.1904 1.88729
+9.38837 26.0037 1.92296
+9.59224 27.7266 1.95864
+9.79612 26.9739 1.99432
+10 30.7491 2.03
diff --git a/src/examples/data_generator/linear.txt_line.txt b/src/examples/data_generator/linear.txt_line.txt
new file mode 100644
index 0000000..3291afd
--- /dev/null
+++ b/src/examples/data_generator/linear.txt_line.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0 3.36585 0.6
+0.204082 3.81589 0.676531
+0.408163 5.55447 0.753061
+0.612245 5.56557 0.829592
+0.816327 5.61916 0.906122
+1.02041 6.51882 0.982653
+1.22449 7.75599 1.05918
+1.42857 7.10419 1.13571
+1.63265 8.07074 1.21224
+1.83673 8.58405 1.28878
+2.04082 9.30284 1.36531
+2.2449 9.38598 1.44184
+2.44898 9.37361 1.51837
+2.65306 9.87356 1.5949
+2.85714 11.7657 1.67143
+3.06122 7.62904 1.74796
+3.26531 13.6205 1.82449
+3.46939 12.5429 1.90102
+3.67347 16.6936 1.97755
+3.87755 14.0171 2.05408
+4.08163 11.5002 2.13061
+4.28571 13.8845 2.20714
+4.4898 13.352 2.28367
+4.69388 14.6584 2.3602
+4.89796 14.1839 2.43673
+5.10204 18.5208 2.51327
+5.30612 18.7166 2.5898
+5.5102 14.7181 2.66633
+5.71429 15.999 2.74286
+5.91837 18.6496 2.81939
+6.12245 15.0761 2.89592
+6.32653 18.0872 2.97245
+6.53061 18.4008 3.04898
+6.73469 16.3463 3.12551
+6.93878 25.21 3.20204
+7.14286 22.3041 3.27857
+7.34694 28.208 3.3551
+7.55102 26.8189 3.43163
+7.7551 20.1973 3.50816
+7.95918 19.4889 3.58469
+8.16327 29.169 3.66122
+8.36735 25.0636 3.73776
+8.57143 23.6138 3.81429
+8.77551 25.7015 3.89082
+8.97959 26.885 3.96735
+9.18367 30.9332 4.04388
+9.38776 26.0401 4.12041
+9.59184 21.9498 4.19694
+9.79592 31.9634 4.27347
+10 36.1086 4.35
diff --git a/src/examples/data_generator/logx_inv_sqrty.txt b/src/examples/data_generator/logx_inv_sqrty.txt
new file mode 100644
index 0000000..41dc22b
--- /dev/null
+++ b/src/examples/data_generator/logx_inv_sqrty.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.02329 0.0669761 0.00976729
+1.17766 0.0521659 0.00696834
+1.35532 0.047948 0.00636476
+1.55977 0.0565792 0.00844594
+1.79507 0.0599306 0.00952072
+2.06587 0.0491594 0.00730583
+2.37751 0.0361006 0.0047441
+2.73617 0.0344446 0.00455798
+3.14893 0.0388383 0.00562079
+3.62396 0.0352893 0.00500983
+4.17065 0.0290394 0.0038454
+4.79981 0.0281314 0.00376724
+5.52389 0.030178 0.0042977
+6.35719 0.0293051 0.00421973
+7.3162 0.024369 0.00328107
+8.41988 0.0232319 0.00312975
+9.69006 0.0250963 0.00359887
+11.1519 0.0208162 0.00278279
+12.8342 0.0243297 0.00359733
+14.7702 0.0216404 0.00308567
+16.9984 0.0216947 0.00316554
+19.5627 0.0166108 0.00216653
+22.5138 0.0190148 0.0027095
+25.9101 0.0196957 0.00291536
+29.8188 0.0187753 0.00276835
+34.3171 0.0158225 0.00218417
+39.494 0.0177523 0.00264623
+45.4518 0.0149213 0.00207812
+52.3084 0.0138611 0.00189547
+60.1994 0.0157506 0.00233817
+69.2807 0.0158203 0.00239621
+79.732 0.0147632 0.0021984
+91.7599 0.0128195 0.00180988
+105.602 0.013433 0.00197459
+121.533 0.0107155 0.00143049
+139.867 0.0141431 0.00220505
+160.966 0.0133362 0.00205196
+185.249 0.0116604 0.0017045
+213.194 0.0112486 0.00164048
+245.356 0.00766655 0.000937387
+282.369 0.0109217 0.00161825
+324.965 0.00762605 0.000958415
+373.988 0.00793352 0.00103205
+430.405 0.00876134 0.00121524
+495.334 0.00865888 0.00121119
+570.057 0.00742519 0.000975459
+656.053 0.00796742 0.00109943
+755.021 0.00769823 0.00105861
+868.92 0.00872136 0.00129391
+1000 0.00634392 0.00081351
diff --git a/src/examples/data_generator/logx_inv_y.txt b/src/examples/data_generator/logx_inv_y.txt
new file mode 100644
index 0000000..55c77dc
--- /dev/null
+++ b/src/examples/data_generator/logx_inv_y.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.02329 0.258797 0.0188705
+1.17766 0.228398 0.0152548
+1.35532 0.21897 0.0145334
+1.55977 0.237864 0.0177537
+1.79507 0.244807 0.0194453
+2.06587 0.221719 0.0164754
+2.37751 0.190002 0.0124844
+2.73617 0.185593 0.0122795
+3.14893 0.197074 0.0142606
+3.62396 0.187855 0.0133343
+4.17065 0.170409 0.0112828
+4.79981 0.167724 0.0112305
+5.52389 0.173718 0.0123697
+6.35719 0.171187 0.0123249
+7.3162 0.156106 0.0105091
+8.41988 0.15242 0.0102669
+9.69006 0.158418 0.0113588
+11.1519 0.144278 0.00964383
+12.8342 0.15598 0.0115314
+14.7702 0.147107 0.0104879
+16.9984 0.147291 0.0107459
+19.5627 0.128883 0.00840505
+22.5138 0.137894 0.00982455
+25.9101 0.140341 0.0103867
+29.8188 0.137023 0.0101018
+34.3171 0.125787 0.00868201
+39.494 0.133238 0.00993049
+45.4518 0.122153 0.00850623
+52.3084 0.117733 0.00804984
+60.1994 0.125501 0.00931534
+69.2807 0.125779 0.0095255
+79.732 0.121504 0.00904665
+91.7599 0.113223 0.00799251
+105.602 0.115901 0.00851846
+121.533 0.103515 0.00690956
+139.867 0.118925 0.00927077
+160.966 0.115483 0.0088843
+185.249 0.107983 0.00789242
+213.194 0.106059 0.00773379
+245.356 0.0875588 0.0053529
+282.369 0.104507 0.0077423
+324.965 0.0873273 0.00548749
+373.988 0.0890703 0.00579346
+430.405 0.093602 0.00649152
+495.334 0.0930531 0.00650808
+570.057 0.0861695 0.00566012
+656.053 0.0892604 0.00615853
+755.021 0.0877396 0.00603267
+868.92 0.0933882 0.00692756
+1000 0.0796487 0.00510686
diff --git a/src/examples/data_generator/logx_lnxy.txt b/src/examples/data_generator/logx_lnxy.txt
new file mode 100644
index 0000000..9a12cd6
--- /dev/null
+++ b/src/examples/data_generator/logx_lnxy.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.02329 41.5312 11.7014
+1.63636 72.5694 23.0356
+2.61671 66.7769 23.5794
+4.18439 47.7552 18.5665
+6.6913 53.108 22.5424
+10.7001 39.6051 18.224
+17.1106 41.6287 20.6404
+27.3617 129.416 68.7848
+43.7543 34.8584 19.7709
+69.9678 48.5635 29.2768
+111.886 260.596 166.4
+178.918 127.181 85.7472
+286.108 69.6402 49.4371
+457.518 200.812 149.72
+731.62 101.009 78.9137
+1169.94 55.7827 45.5705
+1870.86 322.845 275.26
+2991.7 54.9063 48.7725
+4784.05 188.87 174.509
+7650.21 92.4701 88.7383
+12233.5 116.178 115.635
+19562.7 41.2164 42.4941
+31282.8 61.8611 65.9859
+50024.6 2860.41 3153.2
+79994.7 419.281 477.157
+127920 1212.28 1422.87
+204558 15.2536 18.4476
+327110 162.156 201.896
+523084 6.80971 8.72153
+836467 1636.64 2154.52
+1.3376e+006 114.873 155.321
+2.13897e+006 407.692 565.789
+3.42044e+006 661.486 941.601
+5.46965e+006 186.818 272.594
+8.74655e+006 342.178 511.495
+1.39867e+007 5.58424 8.54668
+2.23662e+007 860.929 1348.37
+3.57659e+007 1872.25 2999.08
+5.71935e+007 803.026 1314.98
+9.14586e+007 195.314 326.802
+1.46252e+008 1702.85 2909.99
+2.33873e+008 95.8633 167.24
+3.73988e+008 1501.31 2672.71
+5.98046e+008 85.5069 155.274
+9.5634e+008 2513.31 4653.67
+1.52929e+009 994.079 1876.11
+2.4455e+009 34.2338 65.8303
+3.91061e+009 1428.81 2798.53
+6.25349e+009 82.2353 164.004
+1e+010 1165.07 2365.09
diff --git a/src/examples/data_generator/logx_lny.txt b/src/examples/data_generator/logx_lny.txt
new file mode 100644
index 0000000..9b62d42
--- /dev/null
+++ b/src/examples/data_generator/logx_lny.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.00023 58.1656 16.2874
+1.15166 56.8873 16.5389
+1.326 72.4296 21.8336
+1.52675 61.0688 19.0632
+1.75788 73.1379 23.6143
+2.02401 145.133 48.4144
+2.33042 115.611 39.8049
+2.68323 384.56 136.525
+3.08944 109.674 40.1109
+3.55715 234.5 88.2757
+4.09567 304.581 117.921
+4.71571 273.074 108.648
+5.42962 352.094 143.86
+6.25161 788.11 330.453
+7.19804 1271.07 546.577
+8.28775 979.526 431.703
+9.54243 898.651 405.687
+10.9871 376.455 173.98
+12.6504 813.778 384.81
+14.5655 377.177 182.396
+16.7706 1494.7 738.823
+19.3095 837.891 423.143
+22.2328 877.018 452.299
+25.5986 1788.48 941.522
+29.474 603.126 323.97
+33.936 2329.79 1276.41
+39.0736 3544.96 1980.14
+44.989 4565.85 2599.31
+51.7999 7810.39 4530.09
+59.6418 4932.51 2913.74
+68.671 10246.2 6162.45
+79.0671 5502.93 3368.61
+91.0371 6461.32 4024.52
+104.819 21313.3 13503.6
+120.688 21875.4 14094.1
+138.959 10247.3 6712.04
+159.996 3394.26 2259.62
+184.217 19502 13191.8
+212.106 16716.6 11486.8
+244.217 22690 15834.5
+281.189 42400.5 30043.9
+323.758 21011.4 15113.3
+372.772 41713.3 30450.8
+429.206 90701.5 67184.1
+494.183 77690.1 58378.7
+568.997 36074.4 27493.9
+655.138 76081.1 58799.9
+754.319 96831 75874
+868.515 105524 83816.1
+1000 91116.6 73348.9
diff --git a/src/examples/data_generator/logx_lnyx2.txt b/src/examples/data_generator/logx_lnyx2.txt
new file mode 100644
index 0000000..5b1239a
--- /dev/null
+++ b/src/examples/data_generator/logx_lnyx2.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.00023 41.5109 11.6238
+1.60022 45.2043 14.2724
+2.56011 26.0202 9.14467
+4.0958 11.6507 4.51067
+6.55267 8.09603 3.4236
+10.4833 3.77799 1.73254
+16.7717 2.48174 1.22673
+26.8323 4.80731 2.54794
+42.9276 0.812303 0.459543
+68.6778 0.706791 0.425094
+109.874 2.36216 1.50507
+175.782 0.721841 0.485706
+281.226 0.247376 0.175287
+449.919 0.445098 0.331286
+719.804 0.140122 0.109297
+1151.58 0.0484161 0.0394943
+1842.36 0.174734 0.148775
+2947.49 0.0186205 0.0165192
+4715.55 0.0399786 0.036895
+7544.18 0.0122457 0.0117385
+12069.6 0.0096151 0.00956026
+19309.5 0.00213444 0.00219849
+30892.4 0.00200168 0.00213324
+49423.2 0.05767 0.0635199
+79069.7 0.00529299 0.00601893
+126500 0.0095596 0.0112121
+202381 7.54194e-005 9.11504e-005
+323779 0.000500384 0.000622624
+517999 1.31597e-005 1.68445e-005
+828721 0.00197096 0.00259324
+1.32583e+006 8.6597e-005 0.00011703
+2.12113e+006 0.000192 0.000266333
+3.39349e+006 0.000194696 0.000277026
+5.42908e+006 3.439e-005 5.01604e-005
+8.68573e+006 3.93654e-005 5.88233e-005
+1.38959e+007 4.02119e-007 6.15244e-007
+2.22313e+007 3.8691e-005 6.05793e-005
+3.55668e+007 5.25868e-005 8.42142e-005
+5.69016e+007 1.41025e-005 2.30878e-005
+9.10341e+007 2.14478e-006 3.58793e-006
+1.45641e+008 1.16839e-005 1.99629e-005
+2.33004e+008 4.11365e-007 7.17539e-007
+3.72772e+008 4.0254e-006 7.16521e-006
+5.96379e+008 1.43364e-007 2.60308e-007
+9.54118e+008 2.63313e-006 4.87506e-006
+1.52645e+009 6.51081e-007 1.22868e-006
+2.44209e+009 1.40184e-008 2.69553e-008
+3.90698e+009 3.65661e-007 7.16173e-007
+6.25058e+009 1.31562e-008 2.62373e-008
+1e+010 1.16507e-007 2.36509e-007
diff --git a/src/examples/data_generator/logx_lnyx4.txt b/src/examples/data_generator/logx_lnyx4.txt
new file mode 100644
index 0000000..97df3f1
--- /dev/null
+++ b/src/examples/data_generator/logx_lnyx4.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.00023 41.4917 11.6184
+1.60022 17.6531 5.57363
+2.56011 3.97001 1.39524
+4.0958 0.694503 0.268883
+6.55267 0.188554 0.0797344
+10.4833 0.0343768 0.0157647
+16.7717 0.00882268 0.00436106
+26.8323 0.00667709 0.00353896
+42.9276 0.000440803 0.000249375
+68.6778 0.000149851 9.01265e-005
+109.874 0.000195667 0.000124671
+175.782 2.33609e-005 1.57189e-005
+281.226 3.12786e-006 2.21635e-006
+449.919 2.1988e-006 1.63657e-006
+719.804 2.70445e-007 2.1095e-007
+1151.58 3.65092e-008 2.97815e-008
+1842.36 5.1479e-008 4.38313e-008
+2947.49 2.14331e-009 1.90145e-009
+4715.55 1.79789e-009 1.65921e-009
+7544.18 2.15159e-010 2.06248e-010
+12069.6 6.6004e-011 6.56275e-011
+19309.5 5.72455e-012 5.89634e-012
+30892.4 2.09746e-012 2.23531e-012
+49423.2 2.36096e-011 2.60045e-011
+79069.7 8.46604e-013 9.62718e-013
+126500 5.97393e-013 7.00661e-013
+202381 1.84138e-015 2.22546e-015
+323779 4.77315e-015 5.9392e-015
+517999 4.90442e-017 6.27769e-017
+828721 2.86987e-015 3.77595e-015
+1.32583e+006 4.92637e-017 6.65768e-017
+2.12113e+006 4.26744e-017 5.91957e-017
+3.39349e+006 1.69069e-017 2.40562e-017
+5.42908e+006 1.16675e-018 1.7018e-018
+8.68573e+006 5.21797e-019 7.79717e-019
+1.38959e+007 2.08249e-021 3.18622e-021
+2.22313e+007 7.82852e-020 1.22573e-019
+3.55668e+007 4.15706e-020 6.65726e-020
+5.69016e+007 4.35558e-021 7.13073e-021
+9.10341e+007 2.58807e-022 4.32948e-022
+1.45641e+008 5.50836e-022 9.41144e-022
+2.33004e+008 7.57706e-024 1.32166e-023
+3.72772e+008 2.89683e-023 5.15636e-023
+5.96379e+008 4.03083e-025 7.31885e-025
+9.54118e+008 2.89247e-024 5.35521e-024
+1.52645e+009 2.79429e-025 5.27323e-025
+2.44209e+009 2.35058e-027 4.51983e-027
+3.90698e+009 2.3955e-026 4.69177e-026
+6.25058e+009 3.36737e-028 6.71551e-028
+1e+010 1.16507e-027 2.36509e-027
diff --git a/src/examples/data_generator/logx_logy.txt b/src/examples/data_generator/logx_logy.txt
new file mode 100644
index 0000000..07a971d
--- /dev/null
+++ b/src/examples/data_generator/logx_logy.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.00023 11568.9 3239.51
+1.15166 10991.9 3195.69
+1.326 19169.7 5778.62
+1.52675 12942 4039.97
+1.75788 19604.1 6329.63
+2.02401 94983.5 31685.3
+2.33042 56263.6 19371.6
+2.68323 895571 317941
+3.08944 49832.3 18225.1
+3.55715 286717 107933
+4.09567 523525 202686
+4.71571 407139 161989
+5.42962 730967 298662
+6.25161 4.67345e+006 1.95957e+006
+7.19804 1.40481e+007 6.04085e+006
+8.28775 7.71026e+006 3.39812e+006
+9.54243 6.32258e+006 2.85427e+006
+10.9871 852706 394082
+12.6504 5.03138e+006 2.37918e+006
+14.5655 856473 414175
+16.7706 2.04023e+007 1.00848e+007
+19.3095 5.38131e+006 2.71761e+006
+22.2328 5.97761e+006 3.0828e+006
+25.5986 3.08404e+007 1.62355e+007
+29.474 2.52421e+006 1.35588e+006
+33.936 5.66935e+007 3.10604e+007
+39.0736 1.49033e+008 8.32466e+007
+44.989 2.66907e+008 1.51948e+008
+51.7999 9.18778e+008 5.32898e+008
+59.6418 3.18862e+008 1.88359e+008
+68.671 1.71659e+009 1.03242e+009
+79.0671 4.10238e+008 2.51127e+008
+91.0371 5.9373e+008 3.69813e+008
+104.819 9.27018e+009 5.87337e+009
+120.688 9.8428e+009 6.34163e+009
+138.959 1.717e+009 1.12464e+009
+159.996 1.34847e+008 8.97702e+007
+184.217 7.55562e+009 5.11087e+009
+212.106 5.29858e+009 3.6409e+009
+244.217 1.07073e+010 7.47221e+009
+281.189 4.51769e+010 3.20112e+010
+323.758 8.97057e+009 6.45243e+009
+372.772 4.35086e+010 3.17614e+010
+429.206 2.60213e+011 1.92744e+011
+494.183 1.82173e+011 1.3689e+011
+568.997 3.11414e+010 2.37343e+010
+655.138 1.73602e+011 1.3417e+011
+754.319 3.02498e+011 2.37029e+011
+868.515 3.68716e+011 2.92866e+011
+1000 2.62964e+011 2.11686e+011
diff --git a/src/examples/data_generator/logx_y.txt b/src/examples/data_generator/logx_y.txt
new file mode 100644
index 0000000..8def1eb
--- /dev/null
+++ b/src/examples/data_generator/logx_y.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.02329 3.86403 0.28175
+1.17766 4.37831 0.292429
+1.35532 4.56683 0.303107
+1.55977 4.20409 0.313786
+1.79507 4.08485 0.324464
+2.06587 4.51021 0.335143
+2.37751 5.26311 0.345821
+2.73617 5.38814 0.3565
+3.14893 5.07423 0.367179
+3.62396 5.32327 0.377857
+4.17065 5.86822 0.388536
+4.79981 5.96217 0.399214
+5.52389 5.75645 0.409893
+6.35719 5.84155 0.420571
+7.3162 6.40591 0.43125
+8.41988 6.56081 0.441929
+9.69006 6.31241 0.452607
+11.1519 6.93106 0.463286
+12.8342 6.41109 0.473964
+14.7702 6.79778 0.484643
+16.9984 6.78927 0.495321
+19.5627 7.75899 0.506
+22.5138 7.25194 0.516679
+25.9101 7.12548 0.527357
+29.8188 7.29804 0.538036
+34.3171 7.94993 0.548714
+39.494 7.50539 0.559393
+45.4518 8.18646 0.570071
+52.3084 8.49378 0.58075
+60.1994 7.96805 0.591429
+69.2807 7.95047 0.602107
+79.732 8.2302 0.612786
+91.7599 8.8321 0.623464
+105.602 8.62806 0.634143
+121.533 9.66039 0.644821
+139.867 8.40869 0.6555
+160.966 8.65932 0.666179
+185.249 9.26069 0.676857
+213.194 9.42869 0.687536
+245.356 11.4209 0.698214
+282.369 9.56875 0.708893
+324.965 11.4512 0.719571
+373.988 11.2271 0.73025
+430.405 10.6835 0.740929
+495.334 10.7465 0.751607
+570.057 11.605 0.762286
+656.053 11.2032 0.772964
+755.021 11.3974 0.783643
+868.92 10.708 0.794321
+1000 12.5551 0.805
diff --git a/src/examples/data_generator/logx_y2.txt b/src/examples/data_generator/logx_y2.txt
new file mode 100644
index 0000000..3978105
--- /dev/null
+++ b/src/examples/data_generator/logx_y2.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+1.02329 1.96571 0.0716661
+1.17766 2.09244 0.0698773
+1.35532 2.13701 0.0709184
+1.55977 2.05039 0.0765187
+1.79507 2.0211 0.0802692
+2.06587 2.12373 0.0789045
+2.37751 2.29415 0.0753704
+2.73617 2.32124 0.0767909
+3.14893 2.2526 0.0815009
+3.62396 2.30722 0.0818858
+4.17065 2.42244 0.0801951
+4.79981 2.44176 0.0817474
+5.52389 2.39926 0.0854207
+6.35719 2.41693 0.0870053
+7.3162 2.53099 0.0851939
+8.41988 2.56141 0.0862668
+9.69006 2.51245 0.0900729
+11.1519 2.63269 0.0879871
+12.8342 2.53201 0.0935944
+14.7702 2.60726 0.0929412
+16.9984 2.60562 0.0950486
+19.5627 2.7855 0.0908276
+22.5138 2.69294 0.095932
+25.9101 2.66936 0.0987797
+29.8188 2.70149 0.0995813
+34.3171 2.81956 0.0973049
+39.494 2.7396 0.102094
+45.4518 2.8612 0.0996211
+52.3084 2.91441 0.0996343
+60.1994 2.82277 0.10476
+69.2807 2.81966 0.10677
+79.732 2.86883 0.106801
+91.7599 2.97189 0.104894
+105.602 2.93736 0.107945
+121.533 3.10812 0.103732
+139.867 2.89977 0.113026
+160.966 2.94267 0.113193
+185.249 3.04314 0.11121
+213.194 3.07062 0.111954
+245.356 3.37948 0.103302
+282.369 3.09334 0.114584
+324.965 3.38396 0.106321
+373.988 3.35068 0.10897
+430.405 3.26857 0.113341
+495.334 3.27819 0.114637
+570.057 3.40662 0.111883
+656.053 3.34711 0.115467
+755.021 3.376 0.116061
+868.92 3.27231 0.12137
+1000 3.54332 0.113594
diff --git a/src/examples/data_generator/test_transfo.py b/src/examples/data_generator/test_transfo.py
new file mode 100644
index 0000000..8fa40e2
--- /dev/null
+++ b/src/examples/data_generator/test_transfo.py
@@ -0,0 +1,50 @@
+import math
+
+# log(x)
+def from_log10(x, y=0):
+ return math.pow(10.0, x)
+def err_log10(x, y, dx, dy):
+ return math.pow(10.0, x)*dx
+
+# ln(x)
+def from_lnx(x, y=0):
+ return math.exp(x)
+def err_lnx(x, y, dx, dy):
+ return math.exp(x)*dx
+
+# x^2
+def from_x2(x, y=0):
+ return math.sqrt(x)
+def err_x2(x, y, dx, dy):
+ return 0.5*dx/math.sqrt(x)
+
+# 1/x
+def from_inv_x(x, y=0):
+ return 1.0/x
+def err_inv_x(x, y, dx, dy):
+ return 1.0/(x**2)*dx
+
+# 1/sqrt(y)
+def from_inv_sqrtx(x, y=0):
+ return 1.0/x**2
+def err_inv_sqrtx(x, y, dx, dy):
+ return 2.0*math.pow(x,-3.0)*dx
+
+# ln(xy)
+def from_lnxy(x, y):
+ return math.exp(x)/y
+def err_lnxy(x, y, dx, dy):
+ return math.exp(x)/y*dx
+
+# ln(xy2)
+def from_lnx2y(x, y):
+ return math.exp(x)/y**2
+def err_lnx2y(x, y, dx, dy):
+ return math.exp(x)/y**2*dx
+
+# ln(xy4)
+def from_lnx4y(x, y):
+ return math.exp(x)/y**4
+def err_lnx4y(x, y, dx, dy):
+ return math.exp(x)/y**4*dx
+
diff --git a/src/examples/data_generator/testdata_generator.py b/src/examples/data_generator/testdata_generator.py
new file mode 100644
index 0000000..a9fc7c2
--- /dev/null
+++ b/src/examples/data_generator/testdata_generator.py
@@ -0,0 +1,97 @@
+"""
+ Generate two correlated sets of data
+ 1- A line: y = ax + b
+ 2- A constant equal to a of set #1
+
+"""
+
+def get_x(x, y=0, dx=0, dy=0):
+ return x
+
+def get_err_x(x, y=0, dx=0, dy=0):
+ return dx
+
+
+class Generator:
+ ## Parameter A
+ constant_a = 2.5
+ ## Parameter B
+ constant_b = 4.0
+ ## Randomness factor
+ randomness = 0.07
+
+ def __init__(self):
+ pass
+
+ def create(self, filename, xmin=0.01, xmax=10.0, npts=50,
+ xfunc=get_x, yfunc=get_x, errfunc=get_err_x):
+ """
+ Create files with the generate data
+ The file names will be:
+ - Set #1: [filename]_line.txt
+ - Set #2: [filename]_cst.txt
+
+ @param filename: string to prepend to the file name
+ @param xmin: minimum x-value
+ @param xmax: maximum x-value
+ @param npts: number of points to generate
+ """
+ import random, time
+ random.seed(time.time())
+
+ # Write line data set
+ fd = open(filename, 'w')
+ print "Creating ", filename
+ fd.write("#y=A*x+B\n#A=%g\n#B=%g\n" % (self.constant_a, self.constant_b))
+
+ for i in range(npts):
+ x = xmin+(xmax-xmin)/(npts-1)*i
+ mu = self.constant_a*x+self.constant_b
+ err = self.randomness*mu
+ y = random.gauss(mu, err)
+ fd.write("%g %g %g\n" % (xfunc(x, y), yfunc(y, xfunc(x, 0)), errfunc(y, xfunc(x,y), err, 0)))
+
+ fd.close()
+
+
+
+
+if __name__ == "__main__":
+ from test_transfo import *
+ gen = Generator()
+
+ # Linear x series
+ gen.create("linear.txt")
+ gen.create("x_y2.txt", yfunc=from_x2, errfunc=err_x2)
+ gen.create("x_inv_y.txt", yfunc=from_inv_x, errfunc=err_inv_x)
+ gen.create("x_inv_sqrty.txt", yfunc=from_inv_sqrtx, errfunc=err_inv_sqrtx)
+ gen.create("x_lny.txt", xmin=0.0001, xmax=3.0, yfunc=from_lnx, errfunc=err_lnx)
+ gen.create("x_logy.txt", xmin=0.0001, xmax=3.0, yfunc=from_log10, errfunc=err_log10)
+ gen.create("x_lnxy.txt", yfunc=from_lnxy, errfunc=err_lnxy)
+ gen.create("x_lnyx2.txt", xmin=0.0001, xmax=10.0, yfunc=from_lnx2y, errfunc=err_lnx2y)
+ gen.create("x_lnyx4.txt", xmin=0.0001, xmax=10.0, yfunc=from_lnx4y, errfunc=err_lnx4y)
+
+ # Log10(x)
+ gen.create("logx_y.txt", xmax=3.0, xfunc=from_log10)
+ gen.create("logx_y2.txt", xmax=3.0, xfunc=from_log10, yfunc=from_x2, errfunc=err_x2)
+ gen.create("logx_inv_y.txt", xmax=3.0, xfunc=from_log10, yfunc=from_inv_x, errfunc=err_inv_x)
+ gen.create("logx_inv_sqrty.txt", xmax=3.0, xfunc=from_log10, yfunc=from_inv_sqrtx, errfunc=err_inv_sqrtx)
+ gen.create("logx_lny.txt", xfunc=from_log10, xmin=0.0001, xmax=3.0, yfunc=from_lnx, errfunc=err_lnx)
+ gen.create("logx_logy.txt", xfunc=from_log10, xmin=0.0001, xmax=3.0, yfunc=from_log10, errfunc=err_log10)
+ gen.create("logx_lnxy.txt", xfunc=from_log10, yfunc=from_lnxy, errfunc=err_lnxy)
+ gen.create("logx_lnyx2.txt", xfunc=from_log10, xmin=0.0001, xmax=10.0, yfunc=from_lnx2y, errfunc=err_lnx2y)
+ gen.create("logx_lnyx4.txt", xfunc=from_log10, xmin=0.0001, xmax=10.0, yfunc=from_lnx4y, errfunc=err_lnx4y)
+
+ # x^2
+ gen.create("x2_y.txt", xfunc=from_x2)
+ gen.create("x2_y2.txt", xfunc=from_x2, yfunc=from_x2, errfunc=err_x2)
+ gen.create("x2_inv_y.txt", xfunc=from_x2, yfunc=from_inv_x, errfunc=err_inv_x)
+ gen.create("x2_inv_sqrty.txt", xfunc=from_x2, yfunc=from_inv_sqrtx, errfunc=err_inv_sqrtx)
+ gen.create("x2_lny.txt", xfunc=from_x2, xmin=0.0001, xmax=3.0, yfunc=from_lnx, errfunc=err_lnx)
+ gen.create("x2_logy.txt", xfunc=from_x2, xmin=0.0001, xmax=3.0, yfunc=from_log10, errfunc=err_log10)
+ gen.create("x2_lnxy.txt", xfunc=from_x2, yfunc=from_lnxy, errfunc=err_lnxy)
+ gen.create("x2_lnyx2.txt", xfunc=from_x2, xmin=0.0001, xmax=10.0, yfunc=from_lnx2y, errfunc=err_lnx2y)
+ gen.create("x2_lnyx4.txt", xfunc=from_x2, xmin=0.0001, xmax=10.0, yfunc=from_lnx4y, errfunc=err_lnx4y)
+
+
+
\ No newline at end of file
diff --git a/src/examples/data_generator/x2_inv_sqrty.txt b/src/examples/data_generator/x2_inv_sqrty.txt
new file mode 100644
index 0000000..9360fe4
--- /dev/null
+++ b/src/examples/data_generator/x2_inv_sqrty.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.1 0.0640921 0.00914324
+0.462469 0.0465568 0.00637749
+0.64634 0.0425178 0.00619146
+0.788437 0.0310669 0.00425782
+0.908576 0.0308127 0.00459161
+1.01459 0.0222981 0.00306425
+1.11052 0.0164438 0.00209103
+1.19881 0.019836 0.00296972
+1.28102 0.0169165 0.00249584
+1.35827 0.0114441 0.00147611
+1.43135 0.0138224 0.00207535
+1.50088 0.0109595 0.00154709
+1.56733 0.00817996 0.00105039
+1.63108 0.00782907 0.00103296
+1.69242 0.00830754 0.00118312
+1.75162 0.00657296 0.000870673
+1.80888 0.00653015 0.000899836
+1.86438 0.00655201 0.000942203
+1.91828 0.00563895 0.000782497
+1.9707 0.00457361 0.000593647
+2.02177 0.00497287 0.000698078
+2.07158 0.00535072 0.000807062
+2.12021 0.00415776 0.000571943
+2.16776 0.00390816 0.000538655
+2.21429 0.00394316 0.000563576
+2.25985 0.0027017 0.000329646
+2.30452 0.00290774 0.000379255
+2.34834 0.00348843 0.000513062
+2.39135 0.00279465 0.000378431
+2.43361 0.00235959 0.000301774
+2.47514 0.00307869 0.000461945
+2.51599 0.00218433 0.000283354
+2.55618 0.00212903 0.000279672
+2.59576 0.00241043 0.000345358
+2.63474 0.00194559 0.000256564
+2.67315 0.00205411 0.00028497
+2.71101 0.00201888 0.000284144
+2.74836 0.00150482 0.000187016
+2.7852 0.00173826 0.000237351
+2.82156 0.00159716 0.000213601
+2.85746 0.00175752 0.000251823
+2.89292 0.00138408 0.000179663
+2.92794 0.0016607 0.000240962
+2.96256 0.00130598 0.000171409
+2.99677 0.00134301 0.000182262
+3.03059 0.00200188 0.000338084
+3.06404 0.00108143 0.000136773
+3.09713 0.0012962 0.000182807
+3.12988 0.0013013 0.000187237
+3.16228 0.0011197 0.000152117
diff --git a/src/examples/data_generator/x2_inv_y.txt b/src/examples/data_generator/x2_inv_y.txt
new file mode 100644
index 0000000..349facd
--- /dev/null
+++ b/src/examples/data_generator/x2_inv_y.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.1 0.257817 0.0187278
+0.462469 0.21367 0.0144922
+0.64634 0.203106 0.0145663
+0.788437 0.196412 0.0149985
+0.908576 0.157005 0.0104633
+1.01459 0.150888 0.0104762
+1.11052 0.124174 0.0076451
+1.19881 0.129771 0.00895067
+1.28102 0.127346 0.00919795
+1.35827 0.117808 0.00836683
+1.43135 0.102897 0.00676074
+1.50088 0.101456 0.00693992
+1.56733 0.0974175 0.006737
+1.63108 0.0865919 0.00559041
+1.69242 0.0995262 0.00773864
+1.75162 0.0953254 0.00742337
+1.80888 0.0856544 0.0062553
+1.86438 0.0748504 0.00497669
+1.91828 0.0699938 0.00452663
+1.9707 0.0709515 0.00483096
+2.02177 0.0641913 0.00410124
+2.07158 0.0660896 0.00450324
+2.12021 0.0721786 0.00555713
+2.16776 0.0611673 0.0041244
+2.21429 0.0647312 0.00476852
+2.25985 0.0592975 0.00412701
+2.30452 0.0566881 0.00388644
+2.34834 0.0544716 0.00369432
+2.39135 0.0551881 0.00390081
+2.43361 0.054823 0.0039566
+2.47514 0.0494633 0.00330809
+2.51599 0.0494831 0.0033981
+2.55618 0.0515244 0.00377896
+2.59576 0.0454559 0.00301494
+2.63474 0.0475547 0.00338047
+2.67315 0.0461111 0.0032542
+2.71101 0.0435341 0.00296825
+2.74836 0.0418916 0.00281111
+2.7852 0.0441715 0.00319504
+2.82156 0.0390154 0.00254697
+2.85746 0.0460639 0.00362607
+2.89292 0.0422103 0.00310833
+2.92794 0.0396383 0.00279712
+2.96256 0.0418229 0.00317635
+2.99677 0.0438449 0.00355948
+3.03059 0.0390553 0.00287871
+3.06404 0.0335367 0.00216277
+3.09713 0.0338227 0.00224064
+3.12988 0.0335821 0.00224911
+3.16228 0.0330747 0.00222069
diff --git a/src/examples/data_generator/x2_lnxy.txt b/src/examples/data_generator/x2_lnxy.txt
new file mode 100644
index 0000000..5fdc677
--- /dev/null
+++ b/src/examples/data_generator/x2_lnxy.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.1 717.064 202.033
+0.462469 260.053 82.5482
+0.64634 194.278 68.601
+0.788437 255.195 99.216
+0.908576 559.1 237.318
+1.01459 632.789 291.174
+1.11052 1405.13 696.693
+1.19881 1514.26 804.831
+1.28102 2748.36 1558.81
+1.35827 1831.86 1104.35
+1.43135 8502.23 5428.98
+1.50088 8487.13 5722.14
+1.56733 13688.6 9717.45
+1.63108 17703.3 13199.1
+1.69242 65417.9 51107.7
+1.75162 129843 106072
+1.80888 45440.5 38742.9
+1.86438 63421.3 56336.2
+1.91828 171642 158591
+1.9707 806843 774281
+2.02177 414930 412989
+2.07158 243831 251390
+2.12021 367819 392344
+2.16776 5.00342e+006 5.51556e+006
+2.21429 1.91923e+006 2.18415e+006
+2.25985 1.96993e+007 2.31214e+007
+2.30452 1.06512e+007 1.28815e+007
+2.34834 7.98655e+006 9.94382e+006
+2.39135 1.55501e+008 1.99158e+008
+2.43361 6.31954e+007 8.31922e+007
+2.47514 1.54331e+008 2.08672e+008
+2.51599 2.18122e+008 3.02707e+008
+2.55618 1.24528e+008 1.77262e+008
+2.59576 2.7996e+008 4.08502e+008
+2.63474 1.42804e+010 2.13466e+010
+2.67315 2.79533e+009 4.27826e+009
+2.71101 1.70947e+009 2.67733e+009
+2.74836 7.34525e+009 1.1766e+010
+2.7852 1.87034e+009 3.06275e+009
+2.82156 1.57976e+011 2.64327e+011
+2.85746 3.59831e+011 6.14913e+011
+2.89292 5.07921e+011 8.86104e+011
+2.92794 6.0265e+010 1.07287e+011
+2.96256 3.42233e+012 6.2147e+012
+2.99677 5.04978e+010 9.35021e+010
+3.03059 4.34071e+009 8.19215e+009
+3.06404 2.22691e+011 4.28226e+011
+3.09713 2.43697e+011 4.77315e+011
+3.12988 2.08515e+011 4.15845e+011
+3.16228 1.47765e+014 2.99963e+014
diff --git a/src/examples/data_generator/x2_lny.txt b/src/examples/data_generator/x2_lny.txt
new file mode 100644
index 0000000..8557149
--- /dev/null
+++ b/src/examples/data_generator/x2_lny.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 50.6895 14.1939
+0.247634 69.74 20.2756
+0.350064 62.8126 18.9346
+0.428681 95.1353 29.6974
+0.494964 76.201 24.6033
+0.553364 128.371 42.823
+0.606164 224.789 77.395
+0.654719 114.732 40.7314
+0.699914 142.272 52.0331
+0.742362 342.767 129.032
+0.782512 173.668 67.2367
+0.820699 280.62 111.651
+0.857187 580.423 237.152
+0.892184 575.896 241.472
+0.925859 419.413 180.353
+0.958351 776.141 342.066
+0.989777 700.814 316.376
+1.02024 618.671 285.921
+1.04981 911.702 431.115
+1.07858 1722.07 832.762
+1.10659 1144.12 565.535
+1.13392 809.41 408.76
+1.1606 1804.69 930.724
+1.18668 2077.74 1093.8
+1.2122 1838.22 987.405
+1.2372 7945.42 4353.03
+1.2617 5246.12 2930.38
+1.28573 2301.99 1310.51
+1.30932 5252.9 3046.72
+1.3325 10278.1 6071.51
+1.35528 3031.1 1823.01
+1.37768 12555.5 7685.85
+1.39972 13137.3 8182.73
+1.42142 6933.46 4392.88
+1.4428 17529.4 11294
+1.46386 12616.6 8263.94
+1.48462 12836.6 8545.59
+1.5051 53410.5 36128.6
+1.5253 23499.3 16147.4
+1.54524 34071.9 23777.5
+1.56493 19743 13989.4
+1.58437 65017.3 46766.2
+1.60357 23442.5 17113.1
+1.62255 79790.5 59102.1
+1.64131 64466.3 48442
+1.65985 8313.99 6336.46
+1.67819 203133 156993
+1.69634 66962.5 52470
+1.71429 62356.1 49528.6
+1.73205 140202 112862
diff --git a/src/examples/data_generator/x2_lnyx2.txt b/src/examples/data_generator/x2_lnyx2.txt
new file mode 100644
index 0000000..68c8bc8
--- /dev/null
+++ b/src/examples/data_generator/x2_lnyx2.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 698471 195584
+0.451862 574.13 181.271
+0.638952 300.657 105.665
+0.782521 321.373 124.423
+0.903559 607.848 257.043
+1.0102 615.523 282.271
+1.10661 1245.85 615.826
+1.19526 1244.28 659.486
+1.27779 2111.78 1194.7
+1.35529 1329.98 799.908
+1.4286 5843.02 3722.92
+1.49832 5568.21 3746.69
+1.56495 8600.82 6094.41
+1.62884 10694.4 7959.79
+1.69033 38042.8 29673.8
+1.74966 72957.4 59513.3
+1.80703 24785.3 21103.2
+1.86265 33577.4 29788.4
+1.91665 88288.7 81478.8
+1.96917 403637 386920
+2.02032 202658 201502
+2.07021 116382 119874
+2.11893 171596 182874
+2.16655 2.27968e+006 2.51093e+006
+2.21314 857417 975013
+2.25878 8.61498e+006 1.01042e+007
+2.30351 4.57331e+006 5.52721e+006
+2.34739 3.36825e+006 4.19109e+006
+2.39047 6.43345e+007 8.23487e+007
+2.43278 2.57237e+007 3.38452e+007
+2.47437 6.17818e+007 8.34941e+007
+2.51527 8.59474e+007 1.19222e+008
+2.55551 4.83408e+007 6.87824e+007
+2.59514 1.07055e+008 1.56147e+008
+2.63416 5.37577e+009 8.03296e+009
+2.67262 1.03846e+009 1.58885e+009
+2.71053 6.26683e+008 9.81209e+008
+2.74792 2.65671e+009 4.25453e+009
+2.7848 6.68161e+008 1.09388e+009
+2.82121 5.56864e+010 9.31556e+010
+2.85715 1.25308e+011 2.14098e+011
+2.89264 1.74812e+011 3.04922e+011
+2.9277 2.05121e+010 3.65116e+010
+2.96235 1.15132e+012 2.09047e+012
+2.9966 1.68113e+010 3.11249e+010
+3.03046 1.42992e+009 2.69847e+009
+3.06395 7.25742e+010 1.3955e+011
+3.09707 7.86103e+010 1.53964e+011
+3.12984 6.659e+010 1.32799e+011
+3.16228 4.67274e+013 9.48566e+013
diff --git a/src/examples/data_generator/x2_lnyx4.txt b/src/examples/data_generator/x2_lnyx4.txt
new file mode 100644
index 0000000..fda51a6
--- /dev/null
+++ b/src/examples/data_generator/x2_lnyx4.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 4.80815e+009 1.34637e+009
+0.451862 2932.98 926.034
+0.638952 710.855 249.827
+0.782521 344.537 133.391
+0.903559 571.778 241.79
+1.0102 496.339 227.615
+1.10661 853.173 421.724
+1.19526 805.029 426.677
+1.27779 1679.02 949.872
+1.35529 1034.2 622.011
+1.4286 1088.15 693.32
+1.49832 1792.52 1206.13
+1.56495 6601.73 4677.88
+1.62884 2513.99 1871.16
+1.69033 10052.1 7840.8
+1.74966 25439.2 20751.5
+1.80703 9755.6 8306.32
+1.86265 27369.2 24280.7
+1.91665 21147.6 19516.4
+1.96917 87455.3 83833.1
+2.02032 1.10967e+006 1.10334e+006
+2.07021 471606 485759
+2.11893 64128.1 68342.9
+2.16655 261381 287895
+2.21314 148142 168460
+2.25878 233472 273831
+2.30351 572925 692425
+2.34739 366639 456206
+2.39047 5.03839e+007 6.44917e+007
+2.43278 238383 313645
+2.47437 1.28151e+007 1.73188e+007
+2.51527 6.36178e+006 8.82473e+006
+2.55551 657992 936233
+2.59514 2.38654e+007 3.48095e+007
+2.63416 9.37844e+006 1.40141e+007
+2.67262 2.25067e+007 3.44353e+007
+2.71053 3.0357e+008 4.75306e+008
+2.74792 1.62467e+008 2.60179e+008
+2.7848 5.58822e+007 9.14873e+007
+2.82121 1.9348e+009 3.23665e+009
+2.85715 3.8188e+008 6.5247e+008
+2.89264 9.84079e+008 1.71652e+009
+2.9277 1.19327e+009 2.12403e+009
+2.96235 1.26594e+011 2.29858e+011
+2.9966 1.7845e+009 3.30387e+009
+3.03046 4.79268e+009 9.04448e+009
+3.06395 9.45614e+008 1.81828e+009
+3.09707 3.83136e+010 7.504e+010
+3.12984 3.26979e+011 6.5209e+011
+3.16228 1.47833e+010 3.00102e+010
diff --git a/src/examples/data_generator/x2_logy.txt b/src/examples/data_generator/x2_logy.txt
new file mode 100644
index 0000000..9412843
--- /dev/null
+++ b/src/examples/data_generator/x2_logy.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 8427.88 2359.95
+0.247634 17570.1 5108.18
+0.350064 13808.8 4162.59
+0.428681 35917 11211.8
+0.494964 21546.4 6956.75
+0.553364 71602.4 23885.6
+0.606164 260113 89557
+0.654719 55283.5 19626.5
+0.699914 90728.2 33181.9
+0.742362 687151 258673
+0.782512 143597 55594.5
+0.820699 433513 172482
+0.857187 2.31077e+006 944144
+0.892184 2.26949e+006 951592
+0.925859 1.0936e+006 470260
+0.958351 4.51164e+006 1.9884e+006
+0.989777 3.5665e+006 1.61006e+006
+1.02024 2.67654e+006 1.23697e+006
+1.04981 6.53602e+006 3.09067e+006
+1.07858 2.82672e+007 1.36695e+007
+1.10659 1.10254e+007 5.44979e+006
+1.13392 4.96942e+006 2.50961e+006
+1.1606 3.14881e+007 1.62392e+007
+1.18668 4.35549e+007 2.29289e+007
+1.2122 3.28514e+007 1.76462e+007
+1.2372 9.55766e+008 5.23631e+008
+1.2617 3.67489e+008 2.05272e+008
+1.28573 5.51479e+007 3.13953e+007
+1.30932 3.68583e+008 2.13781e+008
+1.3325 1.72891e+009 1.02131e+009
+1.35528 1.03916e+008 6.24987e+007
+1.37768 2.74104e+009 1.67792e+009
+1.39972 3.04235e+009 1.89497e+009
+1.42142 6.98416e+008 4.42501e+008
+1.4428 5.91064e+009 3.80817e+009
+1.46386 2.77184e+009 1.81557e+009
+1.48462 2.88442e+009 1.92021e+009
+1.5051 7.68711e+010 5.19982e+010
+1.5253 1.16071e+010 7.97579e+009
+1.54524 2.73042e+010 1.90545e+010
+1.56493 7.77242e+009 5.50734e+009
+1.58437 1.20895e+011 8.69584e+010
+1.60357 1.15427e+010 8.42619e+009
+1.62255 1.93713e+011 1.43487e+011
+1.64131 1.18549e+011 8.90814e+010
+1.65985 1.06095e+009 8.08596e+008
+1.67819 1.66577e+012 1.2874e+012
+1.69634 1.29386e+011 1.01384e+011
+1.71429 1.09804e+011 8.72155e+010
+1.73205 7.0931e+011 5.70995e+011
diff --git a/src/examples/data_generator/x2_y.txt b/src/examples/data_generator/x2_y.txt
new file mode 100644
index 0000000..89e1596
--- /dev/null
+++ b/src/examples/data_generator/x2_y.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.1 3.87872 0.28175
+0.462469 4.68011 0.317429
+0.64634 4.92355 0.353107
+0.788437 5.09133 0.388786
+0.908576 6.36921 0.424464
+1.01459 6.62741 0.460143
+1.11052 8.05325 0.495821
+1.19881 7.70591 0.5315
+1.28102 7.85262 0.567179
+1.35827 8.48842 0.602857
+1.43135 9.71841 0.638536
+1.50088 9.85648 0.674214
+1.56733 10.2651 0.709893
+1.63108 11.5484 0.745571
+1.69242 10.0476 0.78125
+1.75162 10.4904 0.816929
+1.80888 11.6748 0.852607
+1.86438 13.36 0.888286
+1.91828 14.287 0.923964
+1.9707 14.0941 0.959643
+2.02177 15.5784 0.995321
+2.07158 15.131 1.031
+2.12021 13.8545 1.06668
+2.16776 16.3486 1.10236
+2.21429 15.4485 1.13804
+2.25985 16.8641 1.17371
+2.30452 17.6404 1.20939
+2.34834 18.3582 1.24507
+2.39135 18.1199 1.28075
+2.43361 18.2405 1.31643
+2.47514 20.217 1.35211
+2.51599 20.2089 1.38779
+2.55618 19.4083 1.42346
+2.59576 21.9993 1.45914
+2.63474 21.0284 1.49482
+2.67315 21.6868 1.5305
+2.71101 22.9705 1.56618
+2.74836 23.8711 1.60186
+2.7852 22.639 1.63754
+2.82156 25.6309 1.67321
+2.85746 21.709 1.70889
+2.89292 23.6909 1.74457
+2.92794 25.2281 1.78025
+2.96256 23.9103 1.81593
+2.99677 22.8077 1.85161
+3.03059 25.6047 1.88729
+3.06404 29.8181 1.92296
+3.09713 29.5659 1.95864
+3.12988 29.7778 1.99432
+3.16228 30.2346 2.03
diff --git a/src/examples/data_generator/x2_y2.txt b/src/examples/data_generator/x2_y2.txt
new file mode 100644
index 0000000..fc70f03
--- /dev/null
+++ b/src/examples/data_generator/x2_y2.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.1 1.96945 0.0715302
+0.462469 2.16336 0.0733648
+0.64634 2.21891 0.0795678
+0.788437 2.2564 0.0861519
+0.908576 2.52373 0.0840946
+1.01459 2.57438 0.0893698
+1.11052 2.83782 0.0873594
+1.19881 2.77595 0.0957329
+1.28102 2.80225 0.1012
+1.35827 2.91349 0.10346
+1.43135 3.11744 0.102414
+1.50088 3.1395 0.107376
+1.56733 3.20392 0.110785
+1.63108 3.3983 0.109698
+1.69242 3.1698 0.123233
+1.75162 3.23889 0.126113
+1.80888 3.41684 0.124765
+1.86438 3.65513 0.121512
+1.91828 3.77981 0.122224
+1.9707 3.75422 0.127809
+2.02177 3.94695 0.126087
+2.07158 3.88985 0.132524
+2.12021 3.72217 0.143287
+2.16776 4.04334 0.136318
+2.21429 3.93046 0.144771
+2.25985 4.10659 0.142906
+2.30452 4.20004 0.143974
+2.34834 4.28465 0.145295
+2.39135 4.25674 0.150438
+2.43361 4.27089 0.154116
+2.47514 4.49633 0.150357
+2.51599 4.49543 0.154355
+2.55618 4.40548 0.161556
+2.59576 4.69034 0.155548
+2.63474 4.58567 0.162988
+2.67315 4.6569 0.164326
+2.71101 4.79276 0.16339
+2.74836 4.88581 0.16393
+2.7852 4.75805 0.172081
+2.82156 5.0627 0.165249
+2.85746 4.65929 0.183386
+2.89292 4.86733 0.179212
+2.92794 5.02276 0.177218
+2.96256 4.88982 0.185685
+2.99677 4.77574 0.193856
+3.03059 5.06011 0.186487
+3.06404 5.4606 0.176076
+3.09713 5.43745 0.180107
+3.12988 5.4569 0.182734
+3.16228 5.4986 0.184592
diff --git a/src/examples/data_generator/x_inv_sqrty.txt b/src/examples/data_generator/x_inv_sqrty.txt
new file mode 100644
index 0000000..fc5c68a
--- /dev/null
+++ b/src/examples/data_generator/x_inv_sqrty.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 0.056516 0.00757096
+0.213878 0.0539565 0.00795686
+0.417755 0.0364092 0.0049063
+0.621633 0.0302784 0.00409674
+0.82551 0.0228817 0.00293834
+1.02939 0.0356705 0.00619992
+1.23327 0.0223705 0.00331795
+1.43714 0.0185942 0.00269526
+1.64102 0.0151925 0.0021242
+1.8449 0.0108431 0.00136137
+2.04878 0.0116484 0.00160552
+2.25265 0.00967345 0.00128292
+2.45653 0.00857064 0.00112653
+2.66041 0.00746449 0.000961654
+2.86429 0.00761302 0.0010379
+3.06816 0.00722421 0.00100323
+3.27204 0.00666177 0.000927178
+3.47592 0.00706423 0.00105482
+3.6798 0.00558893 0.000772109
+3.88367 0.00597068 0.000885473
+4.08755 0.00529125 0.00076618
+4.29143 0.00573769 0.000896177
+4.49531 0.00406424 0.000552754
+4.69918 0.00335899 0.000429205
+4.90306 0.00347651 0.000466554
+5.10694 0.00371547 0.000531635
+5.31082 0.00322108 0.000442181
+5.51469 0.00345872 0.00050652
+5.71857 0.00221072 0.000266252
+5.92245 0.00359538 0.000567602
+6.12633 0.00306369 0.000458573
+6.3302 0.00288888 0.00043097
+6.53408 0.00207936 0.000269942
+6.73796 0.00261399 0.000390017
+6.94184 0.00197271 0.000261947
+7.14571 0.00201477 0.000276823
+7.34959 0.00218923 0.000320855
+7.55347 0.00209852 0.000307981
+7.75735 0.00143787 0.000178566
+7.96122 0.00164422 0.000223112
+8.1651 0.00188802 0.000280386
+8.36898 0.00222925 0.000367246
+8.57286 0.00142943 0.000192423
+8.77673 0.00162061 0.000236945
+8.98061 0.00129156 0.000171889
+9.18449 0.00153314 0.00022659
+9.38837 0.00114931 0.00014985
+9.59224 0.0014855 0.000224282
+9.79612 0.00127084 0.000180702
+10 0.00108634 0.00014537
diff --git a/src/examples/data_generator/x_inv_y.txt b/src/examples/data_generator/x_inv_y.txt
new file mode 100644
index 0000000..7208838
--- /dev/null
+++ b/src/examples/data_generator/x_inv_y.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 0.237468 0.0158882
+0.213878 0.227331 0.0164045
+0.417755 0.184651 0.0120395
+0.621633 0.173743 0.0117361
+0.82551 0.187287 0.0148887
+1.02939 0.154876 0.0110372
+1.23327 0.147231 0.0107479
+1.43714 0.125966 0.00843351
+1.64102 0.129006 0.00943923
+1.8449 0.125714 0.00952755
+2.04878 0.122345 0.00955778
+2.25265 0.107539 0.00779708
+2.45653 0.104792 0.0077956
+2.66041 0.0906443 0.00612591
+2.86429 0.0839357 0.00550406
+3.06816 0.0847036 0.00586122
+3.27204 0.0751184 0.00481107
+3.47592 0.0885813 0.00697006
+3.6798 0.0749761 0.00519398
+3.88367 0.0826283 0.0065519
+4.08755 0.0698672 0.00485858
+4.29143 0.0717424 0.00530653
+4.49531 0.0621046 0.00411416
+4.69918 0.0591785 0.00386056
+4.90306 0.0652991 0.00485256
+5.10694 0.0633837 0.0047154
+5.31082 0.0527955 0.00337102
+5.51469 0.0549044 0.00375325
+5.71857 0.0515332 0.00340125
+5.92245 0.0591914 0.00461226
+6.12633 0.0538414 0.00391962
+6.3302 0.046168 0.00295805
+6.53408 0.0455558 0.00295416
+6.73796 0.0484254 0.00342171
+6.94184 0.0453207 0.00307031
+7.14571 0.0471671 0.00340496
+7.34959 0.0435993 0.00297714
+7.55347 0.0501559 0.00402965
+7.75735 0.0456078 0.00340619
+7.96122 0.0457602 0.0035037
+8.1651 0.0413145 0.00291689
+8.36898 0.0419763 0.00307396
+8.57286 0.0404311 0.00291013
+8.77673 0.0413316 0.00310215
+8.98061 0.0364028 0.00245368
+9.18449 0.0367777 0.00255275
+9.38837 0.038456 0.00284381
+9.59224 0.0360665 0.00254779
+9.79612 0.0370729 0.00274099
+10 0.0325213 0.002147
diff --git a/src/examples/data_generator/x_lnxy.txt b/src/examples/data_generator/x_lnxy.txt
new file mode 100644
index 0000000..bb2c706
--- /dev/null
+++ b/src/examples/data_generator/x_lnxy.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 7544.69 2125.72
+0.213878 413.804 131.353
+0.417755 516.16 182.26
+0.621633 718.01 279.152
+0.82551 389.52 165.337
+1.02939 506.865 233.23
+1.23327 1224.19 606.978
+1.43714 2217.82 1178.77
+1.64102 2748.58 1558.94
+1.8449 5291.35 3189.93
+2.04878 1955.92 1248.92
+2.25265 12513.5 8436.79
+2.45653 10221.9 7256.46
+2.66041 22749.1 16961.1
+2.86429 16810.3 13133
+3.06816 175570 143428
+3.27204 40486.7 34519.2
+3.47592 75594.2 67149.2
+3.6798 101856 94111.8
+3.88367 1.09072e+006 1.0467e+006
+4.08755 465882 463702
+4.29143 384269 396182
+4.49531 4.38565e+006 4.67808e+006
+4.69918 411662 453798
+4.90306 5.44567e+006 6.19737e+006
+5.10694 999800 1.17348e+006
+5.31082 1.33401e+007 1.61335e+007
+5.51469 1.34236e+007 1.67133e+007
+5.71857 5.05057e+006 6.46852e+006
+5.92245 5.59449e+006 7.36474e+006
+6.12633 5.00883e+007 6.77248e+007
+6.3302 9.1298e+007 1.26702e+008
+6.53408 3.0613e+009 4.35765e+009
+6.73796 1.42392e+008 2.0777e+008
+6.94184 8.56623e+008 1.2805e+009
+7.14571 3.98011e+008 6.09156e+008
+7.34959 2.12457e+009 3.32746e+009
+7.55347 6.18086e+008 9.90086e+008
+7.75735 5.81863e+008 9.52822e+008
+7.96122 6.74359e+008 1.12835e+009
+8.1651 4.57064e+009 7.81073e+009
+8.36898 4.84184e+009 8.44693e+009
+8.57286 2.44299e+011 4.34914e+011
+8.77673 9.12161e+010 1.65642e+011
+8.98061 1.75826e+011 3.25561e+011
+9.18449 6.82569e+009 1.2882e+010
+9.38837 3.42819e+011 6.5923e+011
+9.59224 2.63279e+011 5.15669e+011
+9.79612 7.16351e+010 1.42863e+011
+10 2.28151e+013 4.63146e+013
diff --git a/src/examples/data_generator/x_lny.txt b/src/examples/data_generator/x_lny.txt
new file mode 100644
index 0000000..c0be1c8
--- /dev/null
+++ b/src/examples/data_generator/x_lny.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.0001 65.4032 18.314
+0.0613224 51.5718 14.9935
+0.122545 87.7071 26.4389
+0.183767 100.911 31.5002
+0.24499 152.719 49.3088
+0.306212 46.456 15.4971
+0.367435 103.829 35.7485
+0.428657 134.075 47.5987
+0.48988 187.069 68.4165
+0.551102 402.071 151.357
+0.612324 275.289 106.58
+0.673547 403.44 160.517
+0.734769 501.209 204.786
+0.795992 671.355 281.498
+0.857214 549.111 236.125
+0.918437 570.955 251.635
+0.979659 656.677 296.45
+1.04088 487.924 225.496
+1.1021 939.87 444.435
+1.16333 679.609 328.647
+1.22455 922.634 456.054
+1.28577 643.263 324.854
+1.34699 1966.34 1014.09
+1.40822 3789.07 1994.71
+1.46944 2996.33 1609.49
+1.53066 2117.11 1159.89
+1.59188 3422.01 1911.46
+1.65311 2379.66 1354.73
+1.71433 15240.3 8839.48
+1.77555 1778.72 1050.73
+1.83677 3091.12 1859.11
+1.898 3665.52 2243.85
+1.95922 14703.1 9157.99
+2.02044 4879.41 3091.48
+2.08166 16386.8 10557.9
+2.14289 13828.8 9057.94
+2.20411 8818.07 5870.36
+2.26533 10078.5 6817.44
+2.32655 63973 43958.9
+2.38778 29312.4 20456
+2.449 13941.3 9878.43
+2.51022 6200.78 4460.15
+2.57144 51318.2 37462.4
+2.63267 25145.5 18625.7
+2.69389 80203.8 60267.5
+2.75511 30138.4 22969.8
+2.81633 140820 108834
+2.87756 32201.1 25231.9
+2.93878 71120.8 56490.2
+3 167950 135200
diff --git a/src/examples/data_generator/x_lnyx2.txt b/src/examples/data_generator/x_lnyx2.txt
new file mode 100644
index 0000000..3fce711
--- /dev/null
+++ b/src/examples/data_generator/x_lnyx2.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.0001 7.34676e+009 2.05722e+009
+0.20418 2072.65 654.401
+0.408259 1261.4 443.312
+0.612339 1160.37 449.248
+0.816418 472.094 199.636
+1.0205 490.523 224.947
+1.22458 984.427 486.603
+1.42866 1526.8 809.226
+1.63274 1655.96 936.827
+1.83682 2831.7 1703.11
+2.0409 944.98 602.101
+2.24498 5480.02 3687.35
+2.44906 4109.12 2911.66
+2.65313 8437.81 6280.25
+2.85721 5798.14 4522.63
+3.06129 56374.8 45986.4
+3.26537 12225.2 10409
+3.46945 21484.9 19060.4
+3.67353 27354.7 25244.8
+3.87761 277015 265542
+4.08169 112613 111971
+4.28577 88554.3 91211.8
+4.48985 963388 1.02671e+006
+4.69393 86745.5 95544.8
+4.89801 1.09828e+006 1.24891e+006
+5.10209 193967 227497
+5.30617 2.48588e+006 3.00439e+006
+5.51025 2.41063e+006 2.99953e+006
+5.71433 875734 1.12095e+006
+5.91841 937156 1.23304e+006
+6.12249 8.10707e+006 1.09562e+007
+6.32657 1.43062e+007 1.98448e+007
+6.53065 4.64332e+008 6.60681e+008
+6.73473 2.09842e+007 3.0607e+007
+6.93881 1.22526e+008 1.83089e+008
+7.14289 5.53523e+007 8.46893e+007
+7.34697 2.87294e+008 4.49822e+008
+7.55104 8.13993e+007 1.30355e+008
+7.75512 7.46558e+007 1.22223e+008
+7.9592 8.43482e+007 1.41103e+008
+8.16328 5.57494e+008 9.5252e+008
+8.36736 5.76482e+008 1.00555e+009
+8.57144 2.8394e+010 5.05415e+010
+8.77552 1.03626e+010 1.88155e+010
+8.9796 1.95304e+010 3.61591e+010
+9.18368 7.41923e+008 1.40012e+009
+9.38776 3.64621e+010 7.01114e+010
+9.59184 2.74211e+010 5.37062e+010
+9.79592 7.30937e+009 1.4577e+010
+10 2.28151e+012 4.63146e+012
diff --git a/src/examples/data_generator/x_lnyx4.txt b/src/examples/data_generator/x_lnyx4.txt
new file mode 100644
index 0000000..0daaf2c
--- /dev/null
+++ b/src/examples/data_generator/x_lnyx4.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.0001 7.34676e+017 2.05722e+017
+0.20418 49716.6 15697.1
+0.408259 7567.97 2659.73
+0.612339 3094.66 1198.13
+0.816418 708.277 299.511
+1.0205 471.015 216.001
+1.22458 656.464 324.491
+1.42866 748.041 396.473
+1.63274 621.182 351.42
+1.83682 839.298 504.79
+2.0409 226.872 144.553
+2.24498 1087.32 731.629
+2.44906 685.096 485.449
+2.65313 1198.7 892.192
+2.85721 710.237 553.994
+3.06129 6015.54 4907.04
+3.26537 1146.54 976.212
+3.46945 1784.89 1583.47
+3.67353 2027.05 1870.7
+3.87761 18423.6 17660.5
+4.08169 6759.41 6720.86
+4.28577 4821.16 4965.85
+4.48985 47790 50931
+4.69393 3937.08 4336.45
+4.89801 45779.6 52058.3
+5.10209 7451.29 8739.36
+5.30617 88291.5 106707
+5.51025 79394 98789.4
+5.71433 26818.9 34328.5
+5.91841 26754.8 35201.9
+6.12249 216276 292283
+6.32657 357428 495806
+6.53065 1.08872e+007 1.5491e+007
+6.73473 462649 674810
+6.93881 2.54482e+006 3.8027e+006
+7.14289 1.0849e+006 1.6599e+006
+7.34697 5.32244e+006 8.33345e+006
+7.55104 1.4276e+006 2.2862e+006
+7.75512 1.24133e+006 2.03223e+006
+7.9592 1.33149e+006 2.22739e+006
+8.16328 8.36585e+006 1.42937e+007
+8.36736 8.23395e+006 1.43624e+007
+8.57144 3.86473e+008 6.87923e+008
+8.77552 1.34562e+008 2.44326e+008
+8.9796 2.42212e+008 4.48439e+008
+9.18368 8.79681e+006 1.66008e+007
+9.38776 4.1373e+008 7.95545e+008
+9.59184 2.98044e+008 5.83741e+008
+9.79592 7.61709e+007 1.51907e+008
+10 2.28151e+010 4.63146e+010
diff --git a/src/examples/data_generator/x_logy.txt b/src/examples/data_generator/x_logy.txt
new file mode 100644
index 0000000..b07a180
--- /dev/null
+++ b/src/examples/data_generator/x_logy.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.0001 15155.5 4243.81
+0.0613224 8769.5 2549.57
+0.122545 29785.4 8978.66
+0.183767 41137.3 12841.4
+0.24499 106807 34485.1
+0.306212 6894.54 2299.93
+0.367435 43928.6 15124.7
+0.428657 79140.9 28096.2
+0.48988 170403 62321.2
+0.551102 992269 373532
+0.612324 414783 160586
+0.673547 1.00007e+006 397897
+0.734769 1.64825e+006 673450
+0.795992 3.23072e+006 1.35463e+006
+0.857214 2.03377e+006 874545
+0.918437 2.2249e+006 980571
+0.979659 3.07038e+006 1.38609e+006
+1.04088 1.54938e+006 716054
+1.1021 7.01038e+006 3.31499e+006
+1.16333 3.32291e+006 1.6069e+006
+1.22455 6.71788e+006 3.32062e+006
+1.28577 2.92788e+006 1.47861e+006
+1.34699 3.83643e+007 1.97854e+007
+1.40822 1.7373e+008 9.1458e+007
+1.46944 1.01192e+008 5.43553e+007
+1.53066 4.54789e+007 2.49163e+007
+1.59188 1.37399e+008 7.67481e+007
+1.65311 5.95271e+007 3.38884e+007
+1.71433 4.2825e+009 2.48388e+009
+1.77555 3.04542e+007 1.799e+007
+1.83677 1.08715e+008 6.53848e+007
+1.898 1.60963e+008 9.85335e+007
+1.95922 3.94285e+009 2.45586e+009
+2.02044 3.11014e+008 1.97051e+008
+2.08166 5.06097e+009 3.26074e+009
+2.14289 3.4238e+009 2.24261e+009
+2.20411 1.21495e+009 8.08815e+008
+2.26533 1.65257e+009 1.11786e+009
+2.32655 1.16471e+011 8.00325e+010
+2.38778 1.93093e+010 1.34752e+010
+2.449 3.48826e+009 2.47169e+009
+2.51022 5.40046e+008 3.88449e+008
+2.57144 7.01133e+010 5.11829e+010
+2.63267 1.35654e+010 1.00481e+010
+2.69389 1.96031e+011 1.47304e+011
+2.75511 2.05852e+010 1.56889e+010
+2.81633 7.16535e+011 5.5378e+011
+2.87756 2.39749e+010 1.87861e+010
+2.93878 1.4864e+011 1.18062e+011
+3 1.07504e+012 8.65404e+011
diff --git a/src/examples/data_generator/x_y2.txt b/src/examples/data_generator/x_y2.txt
new file mode 100644
index 0000000..a5672e4
--- /dev/null
+++ b/src/examples/data_generator/x_y2.txt
@@ -0,0 +1,53 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.01 2.05209 0.0686494
+0.213878 2.09735 0.0756738
+0.417755 2.32715 0.0758669
+0.621633 2.39909 0.0810278
+0.82551 2.31071 0.091847
+1.02939 2.54102 0.090543
+1.23327 2.60616 0.095125
+1.43714 2.81756 0.0943191
+1.64102 2.78417 0.101858
+1.8449 2.82038 0.106875
+2.04878 2.85895 0.111673
+2.25265 3.04941 0.110548
+2.45653 3.08913 0.114902
+2.66041 3.32147 0.112235
+2.86429 3.45165 0.113171
+3.06816 3.43597 0.118879
+3.27204 3.6486 0.11684
+3.47592 3.35992 0.132189
+3.6798 3.65207 0.126499
+3.88367 3.47885 0.137925
+4.08755 3.78324 0.131544
+4.29143 3.73346 0.138076
+4.49531 4.01271 0.132912
+4.69918 4.11072 0.134083
+4.90306 3.91333 0.145405
+5.10694 3.97202 0.147748
+5.31082 4.35213 0.138943
+5.51469 4.26773 0.145871
+5.71857 4.40511 0.145371
+5.92245 4.11027 0.160139
+6.12633 4.30965 0.15687
+6.3302 4.65403 0.149095
+6.53408 4.6852 0.151911
+6.73796 4.54426 0.160548
+6.94184 4.69734 0.159114
+7.14571 4.60448 0.166197
+7.34959 4.78917 0.163512
+7.55347 4.46518 0.179372
+7.75735 4.68253 0.174856
+7.96122 4.67472 0.178964
+8.1651 4.91982 0.173674
+8.36898 4.88088 0.178715
+8.57286 4.97327 0.178982
+8.77673 4.9188 0.184591
+8.98061 5.24122 0.176639
+9.18449 5.21444 0.180967
+9.38837 5.09938 0.188549
+9.59224 5.2656 0.185985
+9.79612 5.19364 0.191997
+10 5.54518 0.183042
diff --git a/src/examples/test_chisq_panel.py b/src/examples/test_chisq_panel.py
new file mode 100755
index 0000000..1b6a158
--- /dev/null
+++ b/src/examples/test_chisq_panel.py
@@ -0,0 +1,117 @@
+"""
+Test application that uses plottools
+
+An application required by the REFL group and mainly test the Chisq class.
+
+The following is a checklist of functionality to look for while testing:
+1- Start the application:
+ the graph should have theory curve, experimental data, chisq
+ with a white background.
+
+2- Hovering over any plotted data will highlight the whole data set
+ or line in yellow.
+
+3- Left-clicking on the graph and dragging will drag the graph.
+
+4- Using the mouse wheel will zoom in and out of the graph.
+
+5- Right-clicking on the graph when no curve is highlighted will
+ pop up the context menu:
+ - 'Save image' will pop up a save dialog to save an image.
+ - 'Reset graph' will reset the graph to its original appearance after it
+ has been dragged around or zoomed in or out.
+ - 'Change scale' will pop up a scale dialog with which the axes can
+ be transformed. Each transformation choice should work.
+
+"""
+
+import wx
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Plottable, Graph, Data1D, Theory1D
+import sys
+import numpy
+
+
+class ReflPlotPanel(PlotPanel):
+
+ def __init__(self, parent, id = -1,
+ color = None,
+ dpi = None,
+ **kwargs):
+ PlotPanel.__init__(self, parent, id=id, color=color,
+ dpi=dpi, **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.plots = {}
+
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ # Slicer plot popup menu
+ id = wx.NewId()
+ _menu = wx.Menu()
+ _menu.Append(id,'&Save image', 'Save image as PNG')
+ wx.EVT_MENU(self, id, self.onSaveImage)
+
+ _menu.AppendSeparator()
+ id = wx.NewId()
+ _menu.Append(id, '&Change scale')
+ wx.EVT_MENU(self, id, self._onProperties)
+
+ id = wx.NewId()
+ _menu.Append(id, '&Reset Graph')
+ wx.EVT_MENU(self, id, self.onResetGraph)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(_menu, pos)
+
+
+# ---------------------------------------------------------------
+def sample_graph():
+ # Construct a simple graph
+ if False:
+ x = numpy.array([1,2,3,4,5,6],'d')
+ y = numpy.array([4,5,26,5,4,-1],'d')
+ dy = numpy.array([0.2, 0.3, 0.1, 0.2, 0.9, 0.3])
+ else:
+ x = numpy.linspace(0,2.0, 50)
+ y = numpy.sin(2*numpy.pi*x*2.8)
+ dy = numpy.sqrt(100*numpy.abs(y))/100
+
+ from sas.sasgui.plottools.plottables import Data1D, Theory1D, Chisq , Graph
+ data = Data1D(x,y,dy=dy)
+ data.xaxis('distance', 'm')
+ data.yaxis('time', 's')
+ graph = Graph()
+ graph.title('Walking Results')
+ graph.add(data)
+ graph.add( Theory1D(x,y,dy=dy))
+ graph.add( Chisq( 1.0 ) )
+ return graph
+
+
+def demo_plotter(graph):
+ # Make a frame to show it
+ app = wx.PySimpleApp()
+ frame = wx.Frame(None,-1,'Plottables')
+ plotter = ReflPlotPanel(frame)
+ frame.Show()
+
+ # render the graph to the pylab plotter
+ graph.render(plotter)
+
+ app.MainLoop()
+
+
+if __name__ == "__main__":
+ pass
+ demo_plotter(sample_graph())
+
+
diff --git a/src/examples/test_copy_print.py b/src/examples/test_copy_print.py
new file mode 100755
index 0000000..e2f8b26
--- /dev/null
+++ b/src/examples/test_copy_print.py
@@ -0,0 +1,117 @@
+"""
+Test application that uses plottools
+
+An application required by the REFL group and mainly test copy and print.
+
+The following is a checklist of functionality to look for while testing:
+1- Start the application:
+ the graph should have theory curve, experimental data, chisq
+ with a white background.
+
+2- Hovering over any plotted data will highlight the whole data set
+ or line in yellow.
+
+3- Left-clicking on the graph and dragging will drag the graph.
+
+4- Using the mouse wheel will zoom in and out of the graph.
+
+5- Right-clicking on the graph when no curve is highlighted will
+ pop up the context menu:
+ - 'copy image': copy the bitmap of figure to system clipboard
+ - 'print Setup': setup the size of figure for printing
+ - 'print preview': preview printer page
+ - 'print': send figure to system printer.
+
+"""
+
+import wx
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Graph, Data1D, Theory1D
+import sys
+sys.platform = 'win95'
+import numpy
+
+
+class TestPlotPanel(PlotPanel):
+
+ def __init__(self, parent, id = -1,
+ color = None,
+ dpi = None,
+ **kwargs):
+ PlotPanel.__init__(self, parent, id=id, color=color,
+ dpi=dpi, **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.plots = {}
+
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ wxID_Copy = wx.NewId()
+ wxID_Print = wx.NewId()
+ wxID_PrintPreview = wx.NewId()
+ wxID_PrintSetup = wx.NewId()
+
+ _menu = wx.Menu()
+ _menu.Append(wxID_Copy,'&Copy Image', 'Copy image to Clipboard')
+ wx.EVT_MENU(self, wxID_Copy, self.OnCopyFigureMenu)
+
+ _menu.AppendSeparator()
+ _menu.Append(wxID_PrintSetup, '&Print setup')
+ wx.EVT_MENU(self, wxID_PrintSetup, self.onPrinterSetup)
+
+ _menu.Append(wxID_PrintPreview, '&Print preview ')
+ wx.EVT_MENU(self, wxID_PrintPreview, self.onPrinterPreview)
+
+ _menu.Append(wxID_Print, '&Print ')
+ wx.EVT_MENU(self, wxID_Print, self.onPrint)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(_menu, pos)
+
+
+# ---------------------------------------------------------------
+def sample_graph():
+ # Construct a simple graph
+ x = numpy.linspace(0,2.0, 50)
+ y = numpy.sin(2*numpy.pi*x*2.8)
+ dy = numpy.sqrt(100*numpy.abs(y))/100
+
+ data = Data1D(x,y,dy=dy)
+ data.xaxis('distance', 'm')
+ data.yaxis('time', 's')
+
+ graph = Graph()
+
+ graph.add(data)
+ graph.add( Theory1D(x,y,dy=dy))
+
+ graph.title( 'Test Copy and Print Image' )
+ return graph
+
+
+def demo_plotter(graph):
+ # Make a frame to show it
+ app = wx.PySimpleApp()
+ frame = wx.Frame(None,-1,'Plottables')
+ plotter = TestPlotPanel(frame)
+ frame.Show()
+
+ # render the graph to the pylab plotter
+ graph.render(plotter)
+
+ app.MainLoop()
+
+
+if __name__ == "__main__":
+ pass
+ demo_plotter(sample_graph())
+
+
diff --git a/src/examples/test_panel.py b/src/examples/test_panel.py
new file mode 100644
index 0000000..80fac47
--- /dev/null
+++ b/src/examples/test_panel.py
@@ -0,0 +1,204 @@
+"""
+ Test application that uses plottools
+ This application uses most of the functionality required by the SAS group
+ and should be treated as a test-case representative of that use.
+
+ The following is a checklist of functionality to look for while testing:
+
+ 1- Start the application: the graph should be empty with a white background.
+ The status bar should read "This is a data viewer".
+ 2- From the "File" menu, click "Add data": Three data sets should be plotted:
+ - A line called Theory curve, in blue.
+ - A series of green points with errors above that line, called Data set 1.
+ - A series of red points with errors below that line, called Data set 2.
+ 3- Hovering over any plotted data will highlight the whole data set or line in yellow.
+ 4- Left-clicking on the graph and dragging will drag the graph.
+ 5- Using the mouse wheel will zoom in and out of the graph.
+ 6- Right-clicking on the graph when no curve is highlighted will
+ pop up the context menu:
+ - "Save image" will pop up a save dialog to save an image.
+ - "Reset graph" will reset the graph to its original appearance after it
+ has been dragged around or zoomed in or out.
+ - "Change scale" will pop up a scale dialog with which the axes can
+ be transformed. Each transformation choice should work.
+ 7- Right-clicking on the graph when a curve is highlighted will
+ pop up the context menu describe above, to which an item called
+ "Linear fit to [name of the data set]" is added.
+
+ Selecting a linear fit to data sets 1 or 2 will pop up a fit dialog.
+ After fitting, the fit result will appear will be shown in the dialog
+ and the fit curve will appear on the plot and should follow the data.
+
+ It is possible to interact with the graph when the fit dialog is up.
+
+ Selecting a linear fit to the theory curve will produce a message
+ on the status bar saying: "Can't fit a theory curve"
+
+"""
+import wx
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Data1D
+import sys
+import numpy
+import random, math
+
+
+class SASplotpanel(PlotPanel):
+
+ def __init__(self, parent, id = -1, color = None,\
+ dpi = None, **kwargs):
+ PlotPanel.__init__(self, parent, id=id, color=color, dpi=dpi, **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.plots = {}
+
+ def add_plottable(self, plot):
+ self.plots[plot.name] = plot
+
+ self.graph.add(plot)
+ self.graph.xaxis('\\rm{q} ', 'A^{-1}')
+ self.graph.yaxis("\\rm{Intensity} ","cm^{-1}")
+ self.onResetGraph(None)
+
+ def plottable_selected(self, id):
+ PlotPanel.plottable_selected(self, id)
+ if id is not None:
+ self.parent.SetStatusText("Hovering over %s" % self.graph.selected_plottable)
+ else:
+ self.parent.SetStatusText("")
+
+
+
+ def onFitting(self, event):
+ if self.graph.selected_plottable is not None:
+ if self.plots[self.graph.selected_plottable].__class__.__name__ == 'Data1D':
+ PlotPanel.onFitting(self, event)
+ else:
+ self.parent.SetStatusText("Can't fit a theory curve")
+
+class ViewerFrame(wx.Frame):
+ """
+ Add comment
+ """
+ def __init__(self, parent, id, title):
+ """
+ comment
+ @param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title, wx.DefaultPosition, wx.Size(950,850))
+
+ # Panel for 1D plot
+ self.plotpanel = SASplotpanel(self, -1, style=wx.RAISED_BORDER)
+
+ # Set up the menu
+ self._setup_menus()
+
+ # Set up the layout
+ self._setup_layout()
+
+ # Register the close event so it calls our own method
+ wx.EVT_CLOSE(self, self._onClose)
+
+
+ def _setup_layout(self):
+ """
+ Set up the layout
+ """
+ # Status bar
+ self.sb = self.CreateStatusBar()
+ self.SetStatusText("This is a data viewer")
+
+ # Two columns of panels
+ sizer = wx.GridBagSizer(0,0)
+
+ sizer.Add(self.plotpanel, (0,0), (1,1), flag=wx.EXPAND | wx.ALL, border=0)
+ sizer.AddGrowableRow(0)
+ sizer.AddGrowableCol(0)
+
+ self.SetSizer(sizer)
+ self.Centre()
+
+ def _setup_menus(self):
+ """
+ Set up the application menus
+ """
+
+ # Menu
+ menubar = wx.MenuBar()
+ # File menu
+ filemenu = wx.Menu()
+
+ # Quit
+ id = wx.NewId()
+ filemenu.Append(id,'&Quit', 'Exit')
+ wx.EVT_MENU(self, id, self._onClose)
+
+ # New plot
+ id = wx.NewId()
+ filemenu.Append(id,'&Add data', 'Add a new curve to the plot')
+ wx.EVT_MENU(self, id, self._add_data)
+
+ # Add sub menus
+ menubar.Append(filemenu, '&File')
+
+ self.SetMenuBar(menubar)
+
+ def _onClose(self, event):
+ """
+ """
+ wx.Exit()
+ sys.exit()
+
+ def _add_data(self, event):
+ data_len = 50
+ x = numpy.zeros(data_len)
+ y = numpy.zeros(data_len)
+ x2 = numpy.zeros(data_len)
+ y2 = numpy.zeros(data_len)
+ dy2 = numpy.zeros(data_len)
+ x3 = numpy.zeros(data_len)
+ y3 = numpy.zeros(data_len)
+ dy3 = numpy.zeros(data_len)
+ for i in range(len(x)):
+ x[i] = i
+ x2[i] = i-0.1+0.2*random.random()
+ x3[i] = i-0.1+0.2*random.random()
+ y[i] = 0.5*(i+random.random())
+ y2[i] = i+random.random()
+ dy2[i] = math.sqrt(y2[i])
+ y3[i] = 0.3*(i+random.random())
+ dy3[i] = math.sqrt(y3[i])
+
+ newplot = Data1D(x=x, y=y)
+ newplot.name = "Theory curve"
+ newplot.symbol = 13
+ self.plotpanel.add_plottable(newplot)
+
+
+ newplot = Data1D(x=x2, y=y2, dy=dy2)
+ newplot.name = "Data set 1"
+ self.plotpanel.add_plottable(newplot)
+
+ newplot = Data1D(x=x3, y=y3, dy=dy3)
+ newplot.name = "Data set 2"
+ self.plotpanel.add_plottable(newplot)
+
+
+class ViewApp(wx.App):
+ def OnInit(self):
+ frame = ViewerFrame(None, -1, 'testView')
+ frame.Show(True)
+ self.SetTopWindow(frame)
+
+ return True
+
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
+
diff --git a/src/examples/test_panel2D.py b/src/examples/test_panel2D.py
new file mode 100644
index 0000000..0b48e70
--- /dev/null
+++ b/src/examples/test_panel2D.py
@@ -0,0 +1,271 @@
+"""
+ Test application that uses plottools
+ This application uses most of the functionality required by the SAS group
+ and should be treated as a test-case representative of that use.
+
+ The following is a checklist of functionality to look for while testing:
+
+ 1- Start the application: the graph should be empty with a white background.
+ The status bar should read "This is a data viewer".
+ 2- From the "File" menu, click "Add data": Three data sets should be plotted:
+ - A line called Theory curve, in blue.
+ - A series of green points with errors above that line, called Data set 1.
+ - A series of red points with errors below that line, called Data set 2.
+ 3- Hovering over any plotted data will highlight the whole data set or line in yellow.
+ 4- Left-clicking on the graph and dragging will drag the graph.
+ 5- Using the mouse wheel will zoom in and out of the graph.
+ 6- Right-clicking on the graph when no curve is highlighted will
+ pop up the context menu:
+ - "Save image" will pop up a save dialog to save an image.
+ - "Reset graph" will reset the graph to its original appearance after it
+ has been dragged around or zoomed in or out.
+ - "Change scale" will pop up a scale dialog with which the axes can
+ be transformed. Each transformation choice should work.
+ 7- Right-clicking on the graph when a curve is highlighted will
+ pop up the context menu describe above, to which an item called
+ "Linear fit to [name of the data set]" is added.
+
+ Selecting a linear fit to data sets 1 or 2 will pop up a fit dialog.
+ After fitting, the fit result will appear will be shown in the dialog
+ and the fit curve will appear on the plot and should follow the data.
+
+ It is possible to interact with the graph when the fit dialog is up.
+
+ Selecting a linear fit to the theory curve will produce a message
+ on the status bar saying: "Can't fit a theory curve"
+
+"""
+import wx
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Data1D, Theory1D, Data2D
+import sys,os
+import numpy
+import random, math
+
+
+class SASplotpanel(PlotPanel):
+
+ def __init__(self, parent, id = -1, color = None,\
+ dpi = None, **kwargs):
+ PlotPanel.__init__(self, parent, id=id, color=color, dpi=dpi, **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.plots = {}
+
+ def add_plottable(self, plot):
+ self.plots[plot.name] = plot
+
+ self.graph.add(plot)
+ self.graph.xaxis('\\rm{q} ', 'A^{-1}')
+ self.graph.yaxis("\\rm{Intensity} ","cm^{-1}")
+ self.onResetGraph(None)
+
+ def add_image(self, plot):
+ self.plots[plot.name] = plot
+
+ self.graph.add(plot)
+ self.graph.xaxis('\\rm{q} ', 'A^{-1}')
+ self.graph.yaxis("\\rm{Intensity} ","cm^{-1}")
+ self.graph.render(self)
+ self.subplot.figure.canvas.draw_idle()
+ #self.onResetGraph(None)
+ def plottable_selected(self, id):
+ PlotPanel.plottable_selected(self, id)
+ if id is not None:
+ self.parent.SetStatusText("Hovering over %s" % self.graph.selected_plottable)
+ else:
+ self.parent.SetStatusText("")
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ # Slicer plot popup menu
+ id = wx.NewId()
+ slicerpop = wx.Menu()
+ slicerpop.Append(id,'&Save image', 'Save image as PNG')
+ wx.EVT_MENU(self, id, self.onSaveImage)
+
+ slicerpop.AppendSeparator()
+ id = wx.NewId()
+ slicerpop.Append(id, '&Change scale')
+ wx.EVT_MENU(self, id, self._onProperties)
+
+ id = wx.NewId()
+ slicerpop.Append(id, '&Reset Graph')
+ wx.EVT_MENU(self, id, self.onResetGraph)
+
+ id = wx.NewId()
+ slicerpop.Append(id, '&Toggle Linear/Log scale')
+ wx.EVT_MENU(self, id, self._onToggleScale)
+
+ if self.graph.selected_plottable in self.plots:
+ # Careful here: Message to status bar
+ self.parent.SetStatusText("Fit a line to %s" % self.graph.selected_plottable)
+ id = wx.NewId()
+ slicerpop.AppendSeparator()
+ slicerpop.Append(id, '&Linear Fit to %s' % self.graph.selected_plottable )
+ wx.EVT_MENU(self, id, self.onFitting)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+
+ def onFitting(self, event):
+ if self.graph.selected_plottable is not None:
+ if self.plots[self.graph.selected_plottable].__class__.__name__ == 'Data1D':
+ PlotPanel.onFitting(self, event)
+ else:
+ self.parent.SetStatusText("Can't fit a theory curve")
+
+class ViewerFrame(wx.Frame):
+ """
+ Add comment
+ """
+ def __init__(self, parent, id, title):
+ """
+ comment
+ @param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title, wx.DefaultPosition, wx.Size(950,850))
+
+ # Panel for 1D plot
+ self.plotpanel = SASplotpanel(self, -1, style=wx.RAISED_BORDER)
+
+ # Set up the menu
+ self._setup_menus()
+
+ # Set up the layout
+ self._setup_layout()
+
+ # Register the close event so it calls our own method
+ wx.EVT_CLOSE(self, self._onClose)
+
+
+ def _setup_layout(self):
+ """
+ Set up the layout
+ """
+ # Status bar
+ self.sb = self.CreateStatusBar()
+ self.SetStatusText("This is a data viewer")
+
+ # Two columns of panels
+ sizer = wx.GridBagSizer(0,0)
+
+ sizer.Add(self.plotpanel, (0,0), (1,1), flag=wx.EXPAND | wx.ALL, border=0)
+ sizer.AddGrowableRow(0)
+ sizer.AddGrowableCol(0)
+
+ self.SetSizer(sizer)
+ self.Centre()
+
+ def _setup_menus(self):
+ """
+ Set up the application menus
+ """
+
+ # Menu
+ menubar = wx.MenuBar()
+ # File menu
+ filemenu = wx.Menu()
+
+ # Quit
+ id = wx.NewId()
+ filemenu.Append(id,'&Quit', 'Exit')
+ wx.EVT_MENU(self, id, self._onClose)
+
+ # New plot
+ id = wx.NewId()
+ filemenu.Append(id,'&Add data', 'Add a new curve to the plot')
+ wx.EVT_MENU(self, id, self._add_data)
+
+ id = wx.NewId()
+ filemenu.Append(id,'&Load data 2D', 'load data 2D')
+ wx.EVT_MENU(self, id, self.OnLoad)
+ # Add sub menus
+ menubar.Append(filemenu, '&File')
+ self.SetMenuBar(menubar)
+
+
+ def OnLoad(self,event):
+ path = None
+ dlg = wx.FileDialog(None, "Choose a file", os.getcwd(), "", "*", wx.OPEN)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ mypath = os.path.basename(path)
+ from sas.sascalc.dataloader.loader import Loader
+
+ #Instantiate a loader
+ L=Loader()
+
+ #Recieves data
+ try:
+ output=L.load(path)
+ except:
+ raise
+
+ newplot=Data2D(image=output.data)
+ newplot.setValues(output)
+ self.plotpanel.add_image(newplot)
+
+
+ dlg.Destroy()
+
+ def _onClose(self, event):
+ """
+ """
+ wx.Exit()
+ sys.exit()
+
+ def _add_data(self, event):
+ data_len = 50
+ x = numpy.zeros(data_len)
+ y = numpy.zeros(data_len)
+ x2 = numpy.zeros(data_len)
+ y2 = numpy.zeros(data_len)
+ dy2 = numpy.zeros(data_len)
+ x3 = numpy.zeros(data_len)
+ y3 = numpy.zeros(data_len)
+ dy3 = numpy.zeros(data_len)
+ for i in range(len(x)):
+ x[i] = i
+ x2[i] = i-0.1+0.2*random.random()
+ x3[i] = i-0.1+0.2*random.random()
+ y[i] = 0.5*(i+random.random())
+ y2[i] = i+random.random()
+ dy2[i] = math.sqrt(y2[i])
+ y3[i] = 0.3*(i+random.random())
+ dy3[i] = math.sqrt(y3[i])
+
+ newplot = Theory1D(x=x, y=y)
+ newplot.name = "Theory curve"
+ self.plotpanel.add_plottable(newplot)
+
+ newplot = Data1D(x=x2, y=y2, dy=dy2)
+ newplot.name = "Data set 1"
+ self.plotpanel.add_plottable(newplot)
+
+ newplot = Data1D(x=x3, y=y3, dy=dy3)
+ newplot.name = "Data set 2"
+ self.plotpanel.add_plottable(newplot)
+
+
+class ViewApp(wx.App):
+ def OnInit(self):
+ frame = ViewerFrame(None, -1, 'testView')
+ frame.Show(True)
+ self.SetTopWindow(frame)
+
+ return True
+
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
+
diff --git a/src/examples/test_text_panel.py b/src/examples/test_text_panel.py
new file mode 100755
index 0000000..7d97c53
--- /dev/null
+++ b/src/examples/test_text_panel.py
@@ -0,0 +1,105 @@
+"""
+Test application that uses plottools
+
+An application required by the REFL group and mainly test the Chisq class.
+
+The following is a checklist of functionality to look for while testing:
+1- Start the application:
+ the graph should have theory curve, experimental data, chisq
+ with a white background.
+
+2- Hovering over any plotted data will highlight the whole data set
+ or line in yellow.
+
+3- Left-clicking on the graph and dragging will drag the graph.
+
+4- Using the mouse wheel will zoom in and out of the graph.
+
+5- Right-clicking on the graph when no curve is highlighted will
+ pop up the context menu:
+ - 'Save image' will pop up a save dialog to save an image.
+ - 'Reset graph' will reset the graph to its original appearance after it
+ has been dragged around or zoomed in or out.
+ - 'Change scale' will pop up a scale dialog with which the axes can
+ be transformed. Each transformation choice should work.
+
+"""
+
+import wx
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Text, Graph
+
+class TestPlotPanel(PlotPanel):
+
+ def __init__(self, parent, id = -1,
+ color = None,
+ dpi = None,
+ **kwargs):
+ PlotPanel.__init__(self, parent, id=id, color=color,
+ dpi=dpi, **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.plots = {}
+
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ # Slicer plot popup menu
+ id = wx.NewId()
+ _menu = wx.Menu()
+ _menu.Append(id,'&Save image', 'Save image as PNG')
+ wx.EVT_MENU(self, id, self.onSaveImage)
+
+ _menu.AppendSeparator()
+ id = wx.NewId()
+ _menu.Append(id, '&Change scale')
+ wx.EVT_MENU(self, id, self._onProperties)
+
+ id = wx.NewId()
+ _menu.Append(id, '&Reset Graph')
+ wx.EVT_MENU(self, id, self.onResetGraph)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+
+
+# ---------------------------------------------------------------
+def sample_graph():
+ # Construct a simple graph
+
+ T1 = Text(text='text example 1', xpos=0.2, ypos=0.2)
+ T2 = Text(text='text example 2', xpos=0.5, ypos=0.5)
+ T3 = Text(text=r'$\chi^2=1.2$', xpos=0.8, ypos=0.8)
+
+ graph = Graph()
+ graph.title( 'Test Text Class' )
+ graph.add( T1 )
+ graph.add( T2 )
+ graph.add( T3 )
+ return graph
+
+
+def demo_plotter(graph):
+ # Make a frame to show it
+ app = wx.PySimpleApp()
+ frame = wx.Frame(None,-1,'Plottables')
+ plotter = TestPlotPanel(frame)
+ frame.Show()
+
+ # render the graph to the pylab plotter
+ graph.render(plotter)
+
+ app.MainLoop()
+
+
+if __name__ == "__main__":
+ demo_plotter(sample_graph())
+
+
diff --git a/src/sas/__init__.py b/src/sas/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/__init__.py b/src/sas/sascalc/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/calculator/BaseComponent.py b/src/sas/sascalc/calculator/BaseComponent.py
new file mode 100644
index 0000000..c34fd7b
--- /dev/null
+++ b/src/sas/sascalc/calculator/BaseComponent.py
@@ -0,0 +1,318 @@
+#!/usr/bin/env python
+
+"""
+Provide base functionality for all model components
+"""
+
+# imports
+import copy
+from collections import OrderedDict
+
+import numpy
+#TO DO: that about a way to make the parameter
+#is self return if it is fittable or not
+
+class BaseComponent:
+ """
+ Basic model component
+
+ Since version 0.5.0, basic operations are no longer supported.
+ """
+
+ def __init__(self):
+ """ Initialization"""
+
+ ## Name of the model
+ self.name = "BaseComponent"
+
+ ## Parameters to be accessed by client
+ self.params = {}
+ self.details = {}
+ ## Dictionary used to store the dispersity/averaging
+ # parameters of dispersed/averaged parameters.
+ self.dispersion = {}
+ # string containing information about the model such as the equation
+ #of the given model, exception or possible use
+ self.description = ''
+ #list of parameter that can be fitted
+ self.fixed = []
+ #list of non-fittable parameter
+ self.non_fittable = []
+ ## parameters with orientation
+ self.orientation_params = []
+ ## magnetic parameters
+ self.magnetic_params = []
+ ## store dispersity reference
+ self._persistency_dict = {}
+ ## independent parameter name and unit [string]
+ self.input_name = "Q"
+ self.input_unit = "A^{-1}"
+ ## output name and unit [string]
+ self.output_name = "Intensity"
+ self.output_unit = "cm^{-1}"
+
+ self.is_multiplicity_model = False
+ self.is_structure_factor = False
+ self.is_form_factor = False
+
+ def __str__(self):
+ """
+ :return: string representatio
+ """
+ return self.name
+
+ def is_fittable(self, par_name):
+ """
+ Check if a given parameter is fittable or not
+
+ :param par_name: the parameter name to check
+
+ """
+ return par_name.lower() in self.fixed
+ #For the future
+ #return self.params[str(par_name)].is_fittable()
+
+ def run(self, x):
+ """
+ run 1d
+ """
+ return NotImplemented
+
+ def runXY(self, x):
+ """
+ run 2d
+ """
+ return NotImplemented
+
+ def calculate_ER(self):
+ """
+ Calculate effective radius
+ """
+ return NotImplemented
+
+ def calculate_VR(self):
+ """
+ Calculate volume fraction ratio
+ """
+ return NotImplemented
+
+ def evalDistribution(self, qdist):
+ """
+ Evaluate a distribution of q-values.
+
+ * For 1D, a numpy array is expected as input: ::
+
+ evalDistribution(q)
+
+ where q is a numpy array.
+
+
+ * For 2D, a list of numpy arrays are expected: [qx_prime,qy_prime],
+ where 1D arrays, ::
+
+ qx_prime = [ qx[0], qx[1], qx[2], ....]
+
+ and ::
+
+ qy_prime = [ qy[0], qy[1], qy[2], ....]
+
+ Then get ::
+
+ q = numpy.sqrt(qx_prime^2+qy_prime^2)
+
+ that is a qr in 1D array; ::
+
+ q = [q[0], q[1], q[2], ....]
+
+ .. note:: Due to 2D speed issue, no anisotropic scattering
+ is supported for python models, thus C-models should have
+ their own evalDistribution methods.
+
+ The method is then called the following way: ::
+
+ evalDistribution(q)
+
+ where q is a numpy array.
+
+ :param qdist: ndarray of scalar q-values or list [qx,qy] where qx,qy are 1D ndarrays
+ """
+ if qdist.__class__.__name__ == 'list':
+ # Check whether we have a list of ndarrays [qx,qy]
+ if len(qdist)!=2 or \
+ qdist[0].__class__.__name__ != 'ndarray' or \
+ qdist[1].__class__.__name__ != 'ndarray':
+ msg = "evalDistribution expects a list of 2 ndarrays"
+ raise RuntimeError, msg
+
+ # Extract qx and qy for code clarity
+ qx = qdist[0]
+ qy = qdist[1]
+
+ # calculate q_r component for 2D isotropic
+ q = numpy.sqrt(qx**2+qy**2)
+ # vectorize the model function runXY
+ v_model = numpy.vectorize(self.runXY, otypes=[float])
+ # calculate the scattering
+ iq_array = v_model(q)
+
+ return iq_array
+
+ elif qdist.__class__.__name__ == 'ndarray':
+ # We have a simple 1D distribution of q-values
+ v_model = numpy.vectorize(self.runXY, otypes=[float])
+ iq_array = v_model(qdist)
+ return iq_array
+
+ else:
+ mesg = "evalDistribution is expecting an ndarray of scalar q-values"
+ mesg += " or a list [qx,qy] where qx,qy are 2D ndarrays."
+ raise RuntimeError, mesg
+
+
+
+ def clone(self):
+ """ Returns a new object identical to the current object """
+ obj = copy.deepcopy(self)
+ return self._clone(obj)
+
+ def _clone(self, obj):
+ """
+ Internal utility function to copy the internal
+ data members to a fresh copy.
+ """
+ obj.params = copy.deepcopy(self.params)
+ obj.details = copy.deepcopy(self.details)
+ obj.dispersion = copy.deepcopy(self.dispersion)
+ obj._persistency_dict = copy.deepcopy( self._persistency_dict)
+ return obj
+
+ def set_dispersion(self, parameter, dispersion):
+ """
+ model dispersions
+ """
+ ##Not Implemented
+ return None
+
+ def getProfile(self):
+ """
+ Get SLD profile
+
+ : return: (z, beta) where z is a list of depth of the transition points
+ beta is a list of the corresponding SLD values
+ """
+ #Not Implemented
+ return None, None
+
+ def setParam(self, name, value):
+ """
+ Set the value of a model parameter
+
+ :param name: name of the parameter
+ :param value: value of the parameter
+
+ """
+ # Look for dispersion parameters
+ toks = name.split('.')
+ if len(toks)==2:
+ for item in self.dispersion.keys():
+ if item.lower()==toks[0].lower():
+ for par in self.dispersion[item]:
+ if par.lower() == toks[1].lower():
+ self.dispersion[item][par] = value
+ return
+ else:
+ # Look for standard parameter
+ for item in self.params.keys():
+ if item.lower()==name.lower():
+ self.params[item] = value
+ return
+
+ raise ValueError, "Model does not contain parameter %s" % name
+
+ def getParam(self, name):
+ """
+ Set the value of a model parameter
+ :param name: name of the parameter
+
+ """
+ # Look for dispersion parameters
+ toks = name.split('.')
+ if len(toks)==2:
+ for item in self.dispersion.keys():
+ if item.lower()==toks[0].lower():
+ for par in self.dispersion[item]:
+ if par.lower() == toks[1].lower():
+ return self.dispersion[item][par]
+ else:
+ # Look for standard parameter
+ for item in self.params.keys():
+ if item.lower()==name.lower():
+ return self.params[item]
+
+ raise ValueError, "Model does not contain parameter %s" % name
+
+ def getParamList(self):
+ """
+ Return a list of all available parameters for the model
+ """
+ list = _ordered_keys(self.params)
+ # WARNING: Extending the list with the dispersion parameters
+ list.extend(self.getDispParamList())
+ return list
+
+ def getDispParamList(self):
+ """
+ Return a list of all available parameters for the model
+ """
+ list = []
+ for item in _ordered_keys(self.dispersion):
+ for p in _ordered_keys(self.dispersion[item]):
+ if p not in ['type']:
+ list.append('%s.%s' % (item.lower(), p.lower()))
+
+ return list
+
+ # Old-style methods that are no longer used
+ def setParamWithToken(self, name, value, token, member):
+ """
+ set Param With Token
+ """
+ return NotImplemented
+ def getParamWithToken(self, name, token, member):
+ """
+ get Param With Token
+ """
+ return NotImplemented
+
+ def getParamListWithToken(self, token, member):
+ """
+ get Param List With Token
+ """
+ return NotImplemented
+ def __add__(self, other):
+ """
+ add
+ """
+ raise ValueError, "Model operation are no longer supported"
+ def __sub__(self, other):
+ """
+ sub
+ """
+ raise ValueError, "Model operation are no longer supported"
+ def __mul__(self, other):
+ """
+ mul
+ """
+ raise ValueError, "Model operation are no longer supported"
+ def __div__(self, other):
+ """
+ div
+ """
+ raise ValueError, "Model operation are no longer supported"
+
+
+def _ordered_keys(d):
+ keys = list(d.keys())
+ if not isinstance(d, OrderedDict):
+ keys.sort()
+ return keys
diff --git a/src/sas/sascalc/calculator/__init__.py b/src/sas/sascalc/calculator/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/calculator/c_extensions/__init__.py b/src/sas/sascalc/calculator/c_extensions/__init__.py
new file mode 100644
index 0000000..477c109
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/__init__.py
@@ -0,0 +1,3 @@
+"""
+ C extensions to provide the sas_gen computations.
+"""
\ No newline at end of file
diff --git a/src/sas/sascalc/calculator/c_extensions/libfunc.c b/src/sas/sascalc/calculator/c_extensions/libfunc.c
new file mode 100644
index 0000000..b5b0d8f
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/libfunc.c
@@ -0,0 +1,313 @@
+// by jcho
+
+#include <math.h>
+
+#include "libfunc.h"
+
+#include <stdio.h>
+
+
+
+//used in Si func
+
+int factorial(int i) {
+
+ int k, j;
+ if (i<2){
+ return 1;
+ }
+
+ k=1;
+
+ for(j=1;j<i;j++) {
+ k=k*(j+1);
+ }
+
+ return k;
+
+}
+
+
+
+// Used in pearl nec model
+
+// Sine integral function: approximated within 1%!!!
+
+// integral of sin(x)/x up to namx term nmax=6 looks the best.
+
+double Si(double x)
+
+{
+ int i;
+ int nmax=6;
+ double out;
+ long double power;
+ double pi = 4.0*atan(1.0);
+
+ if (x >= pi*6.2/4.0){
+ double out_sin = 0.0;
+ double out_cos = 0.0;
+ out = pi/2.0;
+
+ for (i=0; i<nmax-2; i+=1) {
+ out_cos += pow(-1.0, i) * (double)factorial(2*i) / pow(x, 2*i+1);
+ out_sin += pow(-1.0, i) * (double)factorial(2*i+1) / pow(x, 2*i+2);
+ }
+
+ out -= cos(x) * out_cos;
+ out -= sin(x) * out_sin;
+ return out;
+ }
+
+ out = 0.0;
+
+ for (i=0; i<nmax; i+=1) {
+ if (i==0) {
+ out += x;
+ continue;
+ }
+
+ power = pow(x,(2 * i + 1));
+ out += (double)pow(-1, i) * power / ((2.0 * (double)i + 1.0) * (double)factorial(2 * i + 1));
+
+ //printf ("Si=%g %g %d\n", x, out, i);
+ }
+
+ return out;
+}
+
+
+
+double sinc(double x)
+{
+ if (x==0.0){
+ return 1.0;
+ }
+ return sin(x)/x;
+}
+
+// calculate magnetic sld and return total sld
+// bn : contrast (not just sld of the layer)
+// m0: max mag of M; mtheta: angle from x-z plane;
+// mphi: angle (anti-clock-wise)of x-z projection(M) from x axis
+// spinfraci: the fraction of UP among UP+Down (before sample)
+// spinfracf: the fraction of UP among UP+Down (after sample and before detector)
+// spintheta: angle (anti-clock-wise) between neutron spin(up) and x axis
+// Note: all angles are in degrees.
+polar_sld cal_msld(int isangle, double qx, double qy, double bn,
+ double m01, double mtheta1, double mphi1,
+ double spinfraci, double spinfracf, double spintheta)
+{
+ //locals
+ double q_x = qx;
+ double q_y = qy;
+ double sld = bn;
+ int is_angle = isangle;
+ double pi = 4.0*atan(1.0);
+ double s_theta = spintheta * pi/180.0;
+ double m_max = m01;
+ double m_phi = mphi1;
+ double m_theta = mtheta1;
+ double in_spin = spinfraci;
+ double out_spin = spinfracf;
+
+ double m_perp = 0.0;
+ double m_perp_z = 0.0;
+ double m_perp_y = 0.0;
+ double m_perp_x = 0.0;
+ double m_sigma_x = 0.0;
+ double m_sigma_z = 0.0;
+ double m_sigma_y = 0.0;
+ //double b_m = 0.0;
+ double q_angle = 0.0;
+ double mx = 0.0;
+ double my = 0.0;
+ double mz = 0.0;
+ polar_sld p_sld;
+ p_sld.uu = sld;
+ p_sld.dd = sld;
+ p_sld.re_ud = 0.0;
+ p_sld.im_ud = 0.0;
+ p_sld.re_du = 0.0;
+ p_sld.im_du = 0.0;
+
+ //No mag means no further calculation
+ if (isangle>0){
+ if (m_max < 1.0e-32){
+ p_sld.uu = sqrt(sqrt(in_spin * out_spin)) * p_sld.uu;
+ p_sld.dd = sqrt(sqrt((1.0 - in_spin) * (1.0 - out_spin))) * p_sld.dd;
+ return p_sld;
+ }
+ }
+ else{
+ if (fabs(m_max)< 1.0e-32 && fabs(m_phi)< 1.0e-32 && fabs(m_theta)< 1.0e-32){
+ p_sld.uu = sqrt(sqrt(in_spin * out_spin)) * p_sld.uu;
+ p_sld.dd = sqrt(sqrt((1.0 - in_spin) * (1.0 - out_spin))) * p_sld.dd;
+ return p_sld;
+ }
+ }
+
+ //These are needed because of the precision of inputs
+ if (in_spin < 0.0) in_spin = 0.0;
+ if (in_spin > 1.0) in_spin = 1.0;
+ if (out_spin < 0.0) out_spin = 0.0;
+ if (out_spin > 1.0) out_spin = 1.0;
+
+ if (q_x == 0.0) q_angle = pi / 2.0;
+ else q_angle = atan(q_y/q_x);
+ if (q_y < 0.0 && q_x < 0.0) q_angle -= pi;
+ else if (q_y > 0.0 && q_x < 0.0) q_angle += pi;
+
+ q_angle = pi/2.0 - q_angle;
+ if (q_angle > pi) q_angle -= 2.0 * pi;
+ else if (q_angle < -pi) q_angle += 2.0 * pi;
+
+ if (fabs(q_x) < 1.0e-16 && fabs(q_y) < 1.0e-16){
+ m_perp = 0.0;
+ }
+ else {
+ m_perp = m_max;
+ }
+ if (is_angle > 0){
+ m_phi *= pi/180.0;
+ m_theta *= pi/180.0;
+ mx = m_perp * cos(m_theta) * cos(m_phi);
+ my = m_perp * sin(m_theta);
+ mz = -(m_perp * cos(m_theta) * sin(m_phi));
+ }
+ else{
+ mx = m_perp;
+ my = m_phi;
+ mz = m_theta;
+ }
+ //ToDo: simplify these steps
+ // m_perp1 -m_perp2
+ m_perp_x = (mx) * cos(q_angle);
+ m_perp_x -= (my) * sin(q_angle);
+ m_perp_y = m_perp_x;
+ m_perp_x *= cos(-q_angle);
+ m_perp_y *= sin(-q_angle);
+ m_perp_z = mz;
+
+ m_sigma_x = (m_perp_x * cos(-s_theta) - m_perp_y * sin(-s_theta));
+ m_sigma_y = (m_perp_x * sin(-s_theta) + m_perp_y * cos(-s_theta));
+ m_sigma_z = (m_perp_z);
+
+ //Find b
+ p_sld.uu -= m_sigma_x;
+ p_sld.dd += m_sigma_x;
+ p_sld.re_ud = m_sigma_y;
+ p_sld.re_du = m_sigma_y;
+ p_sld.im_ud = m_sigma_z;
+ p_sld.im_du = -m_sigma_z;
+
+ p_sld.uu = sqrt(sqrt(in_spin * out_spin)) * p_sld.uu;
+ p_sld.dd = sqrt(sqrt((1.0 - in_spin) * (1.0 - out_spin))) * p_sld.dd;
+
+ p_sld.re_ud = sqrt(sqrt(in_spin * (1.0 - out_spin))) * p_sld.re_ud;
+ p_sld.im_ud = sqrt(sqrt(in_spin * (1.0 - out_spin))) * p_sld.im_ud;
+ p_sld.re_du = sqrt(sqrt((1.0 - in_spin) * out_spin)) * p_sld.re_du;
+ p_sld.im_du = sqrt(sqrt((1.0 - in_spin) * out_spin)) * p_sld.im_du;
+
+ return p_sld;
+}
+
+
+/** Modifications below by kieranrcampbell at gmail.com
+ Institut Laue-Langevin, July 2012
+**/
+
+/**
+Wojtek's comment Mar 22 2016: The remaing code can mostly likely be deleated
+Keeping it in order to check if it is not breaking anything
+**/
+
+/*
+#define ITMAX 100
+#define EPS 3.0e-7
+#define FPMIN 1.0e-30
+
+void gser(float *gamser, float a, float x, float *gln) {
+ int n;
+ float sum,del,ap;
+
+ *gln = lgamma(a);
+ if(x <= 0.0) {
+ if (x < 0.0) printf("Error: x less than 0 in routine gser");
+ *gamser = 0.0;
+ return;
+ } else {
+ ap = a;
+ del = sum = 1.0/a;
+
+ for(n=1;n<=ITMAX;n++) {
+ ++ap;
+ del *= x/ap;
+ sum += del;
+ if(fabs(del) < fabs(sum)*EPS) {
+ *gamser = sum * exp(-x + a * log(x) - (*gln));
+ return;
+ }
+ }
+ printf("a too large, ITMAX too small in routine gser");
+ return;
+
+ }
+
+}
+*/
+/**
+ Implements the incomplete gamma function Q(a,x) evaluated by its continued fraction
+ representation
+**/
+/*
+void gcf(float *gammcf, float a, float x, float *gln) {
+ int i;
+ float an,b,c,d,del,h;
+
+ *gln = lgamma(a);
+ b = x+1.0-a;
+ c = 1.0/FPMIN;
+ d = 1.0/b;
+ h=d;
+ for (i=1;i <= ITMAX; i++) {
+ an = -i*(i-a);
+ b += 2.0;
+ d = an*d + b;
+ if (fabs(d) < FPMIN) d = FPMIN;
+ c = b+an/c;
+ if (fabs(c) < FPMIN) c = FPMIN;
+ d = 1.0/d;
+ del = d*c;
+ h += del;
+ if (fabs(del-1.0) < EPS) break;
+ }
+ if (i > ITMAX) printf("a too large, ITMAX too small in gcf");
+ *gammcf = exp(-x+a*log(x)-(*gln))*h;
+ return;
+}
+*/
+/**
+ Represents incomplete error function, P(a,x)
+**/
+/*
+float gammp(float a, float x) {
+ float gamser,gammcf,gln;
+ if(x < 0.0 || a <= 0.0) printf("Invalid arguments in routine gammp");
+ if (x < (a+1.0)) {
+ gser(&gamser,a,x,&gln);
+ return gamser;
+ } else {
+ gcf(&gammcf,a,x,&gln);
+ return 1.0 - gammcf;
+ }
+}
+*/
+/**
+ Implementation of the error function, erf(x)
+**/
+/*
+float erff(float x) {
+ return x < 0.0 ? -gammp(0.5,x*x) : gammp(0.5,x*x);
+}
+*/
diff --git a/src/sas/sascalc/calculator/c_extensions/libfunc.h b/src/sas/sascalc/calculator/c_extensions/libfunc.h
new file mode 100644
index 0000000..5fcc047
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/libfunc.h
@@ -0,0 +1,31 @@
+#if !defined(o_h)
+#define libfunc_h
+typedef struct {
+ double uu;
+ double dd;
+ double re_ud;
+ double im_ud;
+ double re_du;
+ double im_du;
+} polar_sld;
+
+int factorial(int i);
+
+double Si(double x);
+
+double sinc(double x);
+
+//double gamln(double x);
+
+polar_sld cal_msld(int isangle, double qx, double qy, double bn, double m01, double mtheta1,
+ double mphi1, double spinfraci, double spinfracf, double spintheta);
+
+//void gser(float *gamser, float a, float x, float *gln);
+
+//void gcf(float *gammcf, float a, float x, float *gln);
+
+//float gammp(float a,float x);
+
+//float erff(float x);
+
+#endif
diff --git a/src/sas/sascalc/calculator/c_extensions/librefl.c b/src/sas/sascalc/calculator/c_extensions/librefl.c
new file mode 100644
index 0000000..c2c420f
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/librefl.c
@@ -0,0 +1,423 @@
+// The original code, of which work was not DANSE funded,
+// was provided by J. Cho.
+// And modified to fit sansmodels/sansview: JC
+
+#include <math.h>
+#include "librefl.h"
+#include <stdio.h>
+#include <stdlib.h>
+#if defined(_MSC_VER)
+#define NEED_ERF
+#endif
+
+
+
+#if defined(NEED_ERF)
+/* erf.c - public domain implementation of error function erf(3m)
+
+reference - Haruhiko Okumura: C-gengo niyoru saishin algorithm jiten
+ (New Algorithm handbook in C language) (Gijyutsu hyouron
+ sha, Tokyo, 1991) p.227 [in Japanese] */
+
+
+#ifdef _WIN32
+# include <float.h>
+# if !defined __MINGW32__ || defined __NO_ISOCEXT
+# ifndef isnan
+# define isnan(x) _isnan(x)
+# endif
+# ifndef isinf
+# define isinf(x) (!_finite(x) && !_isnan(x))
+# endif
+# ifndef finite
+# define finite(x) _finite(x)
+# endif
+# endif
+#endif
+
+static double q_gamma(double, double, double);
+
+/* Incomplete gamma function
+ 1 / Gamma(a) * Int_0^x exp(-t) t^(a-1) dt */
+static double p_gamma(double a, double x, double loggamma_a)
+{
+ int k;
+ double result, term, previous;
+
+ if (x >= 1 + a) return 1 - q_gamma(a, x, loggamma_a);
+ if (x == 0) return 0;
+ result = term = exp(a * log(x) - x - loggamma_a) / a;
+ for (k = 1; k < 1000; k++) {
+ term *= x / (a + k);
+ previous = result; result += term;
+ if (result == previous) return result;
+ }
+ fprintf(stderr, "erf.c:%d:p_gamma() could not converge.", __LINE__);
+ return result;
+}
+
+/* Incomplete gamma function
+ 1 / Gamma(a) * Int_x^inf exp(-t) t^(a-1) dt */
+static double q_gamma(double a, double x, double loggamma_a)
+{
+ int k;
+ double result, w, temp, previous;
+ double la = 1, lb = 1 + x - a; /* Laguerre polynomial */
+
+ if (x < 1 + a) return 1 - p_gamma(a, x, loggamma_a);
+ w = exp(a * log(x) - x - loggamma_a);
+ result = w / lb;
+ for (k = 2; k < 1000; k++) {
+ temp = ((k - 1 - a) * (lb - la) + (k + x) * lb) / k;
+ la = lb; lb = temp;
+ w *= (k - 1 - a) / k;
+ temp = w / (la * lb);
+ previous = result; result += temp;
+ if (result == previous) return result;
+ }
+ fprintf(stderr, "erf.c:%d:q_gamma() could not converge.", __LINE__);
+ return result;
+}
+
+#define LOG_PI_OVER_2 0.572364942924700087071713675675 /* log_e(PI)/2 */
+
+double erf(double x)
+{
+ if (!finite(x)) {
+ if (isnan(x)) return x; /* erf(NaN) = NaN */
+ return (x>0 ? 1.0 : -1.0); /* erf(+-inf) = +-1.0 */
+ }
+ if (x >= 0) return p_gamma(0.5, x * x, LOG_PI_OVER_2);
+ else return - p_gamma(0.5, x * x, LOG_PI_OVER_2);
+}
+
+double erfc(double x)
+{
+ if (!finite(x)) {
+ if (isnan(x)) return x; /* erfc(NaN) = NaN */
+ return (x>0 ? 0.0 : 2.0); /* erfc(+-inf) = 0.0, 2.0 */
+ }
+ if (x >= 0) return q_gamma(0.5, x * x, LOG_PI_OVER_2);
+ else return 1 + p_gamma(0.5, x * x, LOG_PI_OVER_2);
+}
+#endif // NEED_ERF
+
+complex cassign(real, imag)
+ double real, imag;
+{
+ complex x;
+ x.re = real;
+ x.im = imag;
+ return x;
+}
+
+
+complex cplx_add(x,y)
+ complex x,y;
+{
+ complex z;
+ z.re = x.re + y.re;
+ z.im = x.im + y.im;
+ return z;
+}
+
+complex rcmult(x,y)
+ double x;
+ complex y;
+{
+ complex z;
+ z.re = x*y.re;
+ z.im = x*y.im;
+ return z;
+}
+
+complex cplx_sub(x,y)
+ complex x,y;
+{
+ complex z;
+ z.re = x.re - y.re;
+ z.im = x.im - y.im;
+ return z;
+}
+
+
+complex cplx_mult(x,y)
+ complex x,y;
+{
+ complex z;
+ z.re = x.re*y.re - x.im*y.im;
+ z.im = x.re*y.im + x.im*y.re;
+ return z;
+}
+
+complex cplx_div(x,y)
+ complex x,y;
+{
+ complex z;
+ z.re = (x.re*y.re + x.im*y.im)/(y.re*y.re + y.im*y.im);
+ z.im = (x.im*y.re - x.re*y.im)/(y.re*y.re + y.im*y.im);
+ return z;
+}
+
+complex cplx_exp(b)
+ complex b;
+{
+ complex z;
+ double br,bi;
+ br=b.re;
+ bi=b.im;
+ z.re = exp(br)*cos(bi);
+ z.im = exp(br)*sin(bi);
+ return z;
+}
+
+
+complex cplx_sqrt(z) //see Schaum`s Math Handbook p. 22, 6.6 and 6.10
+ complex z;
+{
+ complex c;
+ double zr,zi,x,y,r,w;
+
+ zr=z.re;
+ zi=z.im;
+
+ if (zr==0.0 && zi==0.0)
+ {
+ c.re=0.0;
+ c.im=0.0;
+ return c;
+ }
+ else
+ {
+ x=fabs(zr);
+ y=fabs(zi);
+ if (x>y)
+ {
+ r=y/x;
+ w=sqrt(x)*sqrt(0.5*(1.0+sqrt(1.0+r*r)));
+ }
+ else
+ {
+ r=x/y;
+ w=sqrt(y)*sqrt(0.5*(r+sqrt(1.0+r*r)));
+ }
+ if (zr >=0.0)
+ {
+ c.re=w;
+ c.im=zi/(2.0*w);
+ }
+ else
+ {
+ c.im=(zi >= 0) ? w : -w;
+ c.re=zi/(2.0*c.im);
+ }
+ return c;
+ }
+}
+
+complex cplx_cos(b)
+ complex b;
+{
+ complex zero,two,z,i,bi,negbi;
+ zero = cassign(0.0,0.0);
+ two = cassign(2.0,0.0);
+ i = cassign(0.0,1.0);
+ bi = cplx_mult(b,i);
+ negbi = cplx_sub(zero,bi);
+ z = cplx_div(cplx_add(cplx_exp(bi),cplx_exp(negbi)),two);
+ return z;
+}
+
+// normalized and modified erf
+// |
+// 1 + __ - - - -
+// | _
+// | _
+// | __
+// 0 + - - -
+// |-------------+------------+--
+// 0 center n_sub --->
+// ind
+//
+// n_sub = total no. of bins(or sublayers)
+// ind = x position: 0 to max
+// nu = max x to integration
+double err_mod_func(double n_sub, double ind, double nu)
+{
+ double center, func;
+ if (nu == 0.0)
+ nu = 1e-14;
+ if (n_sub == 0.0)
+ n_sub = 1.0;
+
+
+ //ind = (n_sub-1.0)/2.0-1.0 +ind;
+ center = n_sub/2.0;
+ // transform it so that min(ind) = 0
+ ind -= center;
+ // normalize by max limit
+ ind /= center;
+ // divide by sqrt(2) to get Gaussian func
+ nu /= sqrt(2.0);
+ ind *= nu;
+ // re-scale and normalize it so that max(erf)=1, min(erf)=0
+ func = erf(ind)/erf(nu)/2.0;
+ // shift it by +0.5 in y-direction so that min(erf) = 0
+ func += 0.5;
+
+ return func;
+}
+double linearfunc(double n_sub, double ind, double nu)
+{
+ double bin_size, func;
+ if (n_sub == 0.0)
+ n_sub = 1.0;
+
+ bin_size = 1.0/n_sub; //size of each sub-layer
+ // rescale
+ ind *= bin_size;
+ func = ind;
+
+ return func;
+}
+// use the right hand side from the center of power func
+double power_r(double n_sub, double ind, double nu)
+{
+ double bin_size,func;
+ if (nu == 0.0)
+ nu = 1e-14;
+ if (n_sub == 0.0)
+ n_sub = 1.0;
+
+ bin_size = 1.0/n_sub; //size of each sub-layer
+ // rescale
+ ind *= bin_size;
+ func = pow(ind, nu);
+
+ return func;
+}
+// use the left hand side from the center of power func
+double power_l(double n_sub, double ind, double nu)
+{
+ double bin_size, func;
+ if (nu == 0.0)
+ nu = 1e-14;
+ if (n_sub == 0.0)
+ n_sub = 1.0;
+
+ bin_size = 1.0/n_sub; //size of each sub-layer
+ // rescale
+ ind *= bin_size;
+ func = 1.0-pow((1.0-ind),nu);
+
+ return func;
+}
+// use 1-exp func from x=0 to x=1
+double exp_r(double n_sub, double ind, double nu)
+{
+ double bin_size, func;
+ if (nu == 0.0)
+ nu = 1e-14;
+ if (n_sub == 0.0)
+ n_sub = 1.0;
+
+ bin_size = 1.0/n_sub; //size of each sub-layer
+ // rescale
+ ind *= bin_size;
+ // modify func so that func(0) =0 and func(max)=1
+ func = 1.0-exp(-nu*ind);
+ // normalize by its max
+ func /= (1.0-exp(-nu));
+
+ return func;
+}
+
+// use the left hand side mirror image of exp func
+double exp_l(double n_sub, double ind, double nu)
+{
+ double bin_size, func;
+ if (nu == 0.0)
+ nu = 1e-14;
+ if (n_sub == 0.0)
+ n_sub = 1.0;
+
+ bin_size = 1.0/n_sub; //size of each sub-layer
+ // rescale
+ ind *= bin_size;
+ // modify func
+ func = exp(-nu*(1.0-ind))-exp(-nu);
+ // normalize by its max
+ func /= (1.0-exp(-nu));
+
+ return func;
+}
+
+// To select function called
+// At nu = 0 (singular point), call line function
+double intersldfunc(int fun_type, double n_sub, double i, double nu, double sld_l, double sld_r)
+{
+ double sld_i, func;
+ // this condition protects an error from the singular point
+ if (nu == 0.0){
+ nu = 1e-13;
+ }
+ // select func
+ switch(fun_type){
+ case 1 :
+ func = power_r(n_sub, i, nu);
+ break;
+ case 2 :
+ func = power_l(n_sub, i, nu);
+ break;
+ case 3 :
+ func = exp_r(n_sub, i, nu);
+ break;
+ case 4 :
+ func = exp_l(n_sub, i, nu);
+ break;
+ case 5 :
+ func = linearfunc(n_sub, i, nu);
+ break;
+ default:
+ func = err_mod_func(n_sub, i, nu);
+ break;
+ }
+ // compute sld
+ if (sld_r>sld_l){
+ sld_i = (sld_r-sld_l)*func+sld_l; //sld_cal(sld[i],sld[i+1],n_sub,dz,thick);
+ }
+ else if (sld_r<sld_l){
+ func = 1.0-func;
+ sld_i = (sld_l-sld_r)*func+sld_r; //sld_cal(sld[i],sld[i+1],n_sub,dz,thick);
+ }
+ else{
+ sld_i = sld_r;
+ }
+ return sld_i;
+}
+
+
+// used by refl.c
+double interfunc(int fun_type, double n_sub, double i, double sld_l, double sld_r)
+{
+ double sld_i, func;
+ switch(fun_type){
+ case 0 :
+ func = err_mod_func(n_sub, i, 2.5);
+ break;
+ default:
+ func = linearfunc(n_sub, i, 1.0);
+ break;
+ }
+ if (sld_r>sld_l){
+ sld_i = (sld_r-sld_l)*func+sld_l; //sld_cal(sld[i],sld[i+1],n_sub,dz,thick);
+ }
+ else if (sld_r<sld_l){
+ func = 1.0-func;
+ sld_i = (sld_l-sld_r)*func+sld_r; //sld_cal(sld[i],sld[i+1],n_sub,dz,thick);
+ }
+ else{
+ sld_i = sld_r;
+ }
+ return sld_i;
+}
diff --git a/src/sas/sascalc/calculator/c_extensions/librefl.h b/src/sas/sascalc/calculator/c_extensions/librefl.h
new file mode 100644
index 0000000..7c37bcc
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/librefl.h
@@ -0,0 +1,37 @@
+#if !defined(librefl_h)
+#define librefl_h
+
+typedef struct {
+ double re;
+ double im;
+} complex;
+
+typedef struct {
+ complex a;
+ complex b;
+ complex c;
+ complex d;
+} matrix;
+
+complex cassign(double real, double imag);
+
+complex cplx_add(complex x,complex y);
+
+complex rcmult(double x,complex y);
+
+complex cplx_sub(complex x,complex y);
+
+complex cplx_mult(complex x,complex y);
+
+complex cplx_div(complex x,complex y);
+
+complex cplx_exp(complex b);
+
+complex cplx_sqrt(complex z);
+
+complex cplx_cos(complex b);
+
+double intersldfunc(int fun_type, double n_sub, double i, double nu, double sld_l, double sld_r);
+double interfunc(int fun_type, double n_sub, double i, double sld_l, double sld_r);
+double linePq(int fun_type, double thick, double sld_in, double sld_out,double r, double q);
+#endif
diff --git a/src/sas/sascalc/calculator/c_extensions/sld2i.cpp b/src/sas/sascalc/calculator/c_extensions/sld2i.cpp
new file mode 100644
index 0000000..2073f08
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/sld2i.cpp
@@ -0,0 +1,210 @@
+/**
+Computes the (magnetic) scattering form sld (n and m) profile
+ */
+#include "sld2i.hh"
+#include <stdio.h>
+#include <math.h>
+using namespace std;
+extern "C" {
+ #include "libfunc.h"
+ #include "librefl.h"
+}
+/**
+ * Constructor for GenI
+ *
+ * binning
+ * //@param qx: array of Qx values
+ * //@param qy: array of Qy values
+ * //@param qz: array of Qz values
+ * @param x: array of x values
+ * @param y: array of y values
+ * @param z: array of z values
+ * @param sldn: array of sld n
+ * @param mx: array of sld mx
+ * @param my: array of sld my
+ * @param mz: array of sld mz
+ * @param in_spin: ratio of up spin in Iin
+ * @param out_spin: ratio of up spin in Iout
+ * @param s_theta: angle (from x-axis) of the up spin in degree
+ */
+GenI :: GenI(int npix, double* x, double* y, double* z, double* sldn,
+ double* mx, double* my, double* mz, double* voli,
+ double in_spin, double out_spin,
+ double s_theta) {
+ //this->qx_val = qx;
+ //this->qy_val = qy;
+ //this->qz_val = qz;
+ this->n_pix = npix;
+ this->x_val = x;
+ this->y_val = y;
+ this->z_val = z;
+ this->sldn_val = sldn;
+ this->mx_val = mx;
+ this->my_val = my;
+ this->mz_val = mz;
+ this->vol_pix = voli;
+ this->inspin = in_spin;
+ this->outspin = out_spin;
+ this->stheta = s_theta;
+};
+
+/**
+ * Compute 2D anisotropic
+ */
+void GenI :: genicomXY(int npoints, double *qx, double *qy, double *I_out){
+ //npoints is given negative for angular averaging
+ // Assumes that q doesn't have qz component and sld_n is all real
+ //double q = 0.0;
+ //double Pi = 4.0*atan(1.0);
+ polar_sld b_sld;
+ double qr = 0.0;
+ complex iqr = cassign(0.0, 0.0);
+ complex ephase = cassign(0.0, 0.0);
+ complex comp_sld = cassign(0.0, 0.0);
+
+ complex sumj_uu;
+ complex sumj_ud;
+ complex sumj_du;
+ complex sumj_dd;
+ complex temp_fi;
+
+ double count = 0.0;
+ //check if this computation is for averaging
+
+ //Assume that pixel volumes are given in vol_pix in A^3 unit
+ //int x_size = 0; //in Ang
+ //int y_size = 0; //in Ang
+ //int z_size = 0; //in Ang
+
+ // Loop over q-values and multiply apply matrix
+
+ for(int i=0; i<npoints; i++){
+ //I_out[i] = 0.0;
+ sumj_uu = cassign(0.0, 0.0);
+ sumj_ud = cassign(0.0, 0.0);
+ sumj_du = cassign(0.0, 0.0);
+ sumj_dd = cassign(0.0, 0.0);
+ //printf ("%d ", i);
+ //q = sqrt(qx[i]*qx[i] + qy[i]*qy[i]); // + qz[i]*qz[i]);
+
+ for(int j=0; j<n_pix; j++){
+ if (sldn_val[j]!=0.0||mx_val[j]!=0.0||my_val[j]!=0.0||mz_val[j]!=0.0)
+ {
+ //anisotropic
+ temp_fi = cassign(0.0, 0.0);
+ b_sld = cal_msld(0, qx[i], qy[i], sldn_val[j],
+ mx_val[j], my_val[j], mz_val[j],
+ inspin, outspin, stheta);
+ qr = (qx[i]*x_val[j] + qy[i]*y_val[j]);
+ iqr = cassign(0.0, qr);
+ ephase = cplx_exp(iqr);
+
+ //Let's multiply pixel(atomic) volume here
+ ephase = rcmult(vol_pix[j], ephase);
+ //up_up
+ if (inspin > 0.0 && outspin > 0.0){
+ comp_sld = cassign(b_sld.uu, 0.0);
+ temp_fi = cplx_mult(comp_sld, ephase);
+ sumj_uu = cplx_add(sumj_uu, temp_fi);
+ }
+ //down_down
+ if (inspin < 1.0 && outspin < 1.0){
+ comp_sld = cassign(b_sld.dd, 0.0);
+ temp_fi = cplx_mult(comp_sld, ephase);
+ sumj_dd = cplx_add(sumj_dd, temp_fi);
+ }
+ //up_down
+ if (inspin > 0.0 && outspin < 1.0){
+ comp_sld = cassign(b_sld.re_ud, b_sld.im_ud);
+ temp_fi = cplx_mult(comp_sld, ephase);
+ sumj_ud = cplx_add(sumj_ud, temp_fi);
+ }
+ //down_up
+ if (inspin < 1.0 && outspin > 0.0){
+ comp_sld = cassign(b_sld.re_du, b_sld.im_du);
+ temp_fi = cplx_mult(comp_sld, ephase);
+ sumj_du = cplx_add(sumj_du, temp_fi);
+ }
+
+
+ if (i == 0){
+ count += vol_pix[j];
+ }
+ }
+ }
+ //printf("aa%d=%g %g %d\n", i, (sumj_uu.re*sumj_uu.re + sumj_uu.im*sumj_uu.im), (sumj_dd.re*sumj_dd.re + sumj_dd.im*sumj_dd.im), count);
+
+ I_out[i] = (sumj_uu.re*sumj_uu.re + sumj_uu.im*sumj_uu.im);
+ I_out[i] += (sumj_ud.re*sumj_ud.re + sumj_ud.im*sumj_ud.im);
+ I_out[i] += (sumj_du.re*sumj_du.re + sumj_du.im*sumj_du.im);
+ I_out[i] += (sumj_dd.re*sumj_dd.re + sumj_dd.im*sumj_dd.im);
+
+ I_out[i] *= (1.0E+8 / count); //in cm (unit) / number; //to be multiplied by vol_pix
+ }
+ //printf ("count = %d %g %g %g %g\n", count, sldn_val[0],mx_val[0], my_val[0], mz_val[0]);
+}
+/**
+ * Compute 1D isotropic
+ * Isotropic: Assumes all slds are real (no magnetic)
+ * Also assumes there is no polarization: No dependency on spin
+ */
+void GenI :: genicom(int npoints, double *q, double *I_out){
+ //npoints is given negative for angular averaging
+ // Assumes that q doesn't have qz component and sld_n is all real
+ //double Pi = 4.0*atan(1.0);
+ int is_sym = 0;
+ double qr = 0.0;
+ double sumj;
+ double sld_j = 0.0;
+ double count = 0.0;
+ if (n_pix < 0 ){
+ is_sym = 1;
+ n_pix = n_pix * -1;
+ }
+ //Assume that pixel volumes are given in vol_pix in A^3 unit
+ // Loop over q-values and multiply apply matrix
+ for(int i=0; i<npoints; i++){
+ sumj =0.0;
+ for(int j=0; j<n_pix; j++){
+ //Isotropic: Assumes all slds are real (no magnetic)
+ //Also assumes there is no polarization: No dependency on spin
+ if (is_sym == 1){
+ // approximation for a spherical symmetric particle
+ qr = sqrt(x_val[j]*x_val[j]+y_val[j]*y_val[j]+z_val[j]*z_val[j])*q[i];
+ if (qr > 0.0){
+ qr = sin(qr) / qr;
+ sumj += sldn_val[j] * vol_pix[j] * qr;
+ }
+ else{
+ sumj += sldn_val[j] * vol_pix[j];
+ }
+ }
+ else{
+ //full calculation
+ //pragma omp parallel for
+ for(int k=0; k<n_pix; k++){
+ sld_j = sldn_val[j] * sldn_val[k] * vol_pix[j] * vol_pix[k];
+ qr = (x_val[j]-x_val[k])*(x_val[j]-x_val[k])+
+ (y_val[j]-y_val[k])*(y_val[j]-y_val[k])+
+ (z_val[j]-z_val[k])*(z_val[j]-z_val[k]);
+ qr = sqrt(qr) * q[i];
+ if (qr > 0.0){
+ sumj += sld_j*sin(qr)/qr;
+ }
+ else{
+ sumj += sld_j;
+ }
+ }
+ }
+ if (i == 0){
+ count += vol_pix[j];
+ }
+ }
+ I_out[i] = sumj;
+ if (is_sym == 1){
+ I_out[i] *= sumj;
+ }
+ I_out[i] *= (1.0E+8 / count); //in cm (unit) / number; //to be multiplied by vol_pix
+ }
+ //printf ("count = %d %g %g %g %g\n", count, sldn_val[0],mx_val[0], my_val[0], mz_val[0]);
+}
diff --git a/src/sas/sascalc/calculator/c_extensions/sld2i.hh b/src/sas/sascalc/calculator/c_extensions/sld2i.hh
new file mode 100644
index 0000000..e37c49e
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/sld2i.hh
@@ -0,0 +1,45 @@
+/**
+Computes the (magnetic) scattering form sld (n and m) profile
+ */
+#ifndef SLD2I_CLASS_H
+#define SLD2I_CLASS_H
+
+#include <vector>
+
+using namespace std;
+
+/**
+ * Base class
+ */
+class GenI {
+protected:
+ vector<double>* I_out;
+ // vectors
+ int n_pix;
+ double* qx;
+ double* qy;
+ double* x_val;
+ double* y_val;
+ double* z_val;
+ double* sldn_val;
+ double* mx_val;
+ double* my_val;
+ double* mz_val;
+ double* vol_pix;
+ // spin ratios
+ double inspin;
+ double outspin;
+ double stheta;
+
+public:
+ // Constructor
+ GenI(int npix, double* x, double* y, double* z, double* sldn,
+ double* mx, double* my, double* mz, double* voli,
+ double in_spin, double out_spin,
+ double s_theta);
+ // compute function
+ void genicomXY(int npoints, double* qx, double* qy, double *I_out);
+ void genicom(int npoints, double* q, double *I_out);
+};
+
+#endif
diff --git a/src/sas/sascalc/calculator/c_extensions/sld2i_module.cpp b/src/sas/sascalc/calculator/c_extensions/sld2i_module.cpp
new file mode 100644
index 0000000..15545fb
--- /dev/null
+++ b/src/sas/sascalc/calculator/c_extensions/sld2i_module.cpp
@@ -0,0 +1,156 @@
+/**
+ SLD2I module to perform point and I calculations
+ */
+#include <Python.h>
+#include <stdio.h>
+#include <sld2i.hh>
+
+// Utilities
+#define INVECTOR(obj,buf,len) \
+ do { \
+ int err = PyObject_AsReadBuffer(obj, (const void **)(&buf), &len); \
+ if (err < 0) return NULL; \
+ len /= sizeof(*buf); \
+ } while (0)
+
+#define OUTVECTOR(obj,buf,len) \
+ do { \
+ int err = PyObject_AsWriteBuffer(obj, (void **)(&buf), &len); \
+ if (err < 0) return NULL; \
+ len /= sizeof(*buf); \
+ } while (0)
+
+
+/**
+ * Delete a GenI object
+ */
+void del_sld2i(void *ptr){
+ GenI* sld2i = static_cast<GenI *>(ptr);
+ delete sld2i;
+ return;
+}
+
+/**
+ * Create a GenI as a python object by supplying arrays
+ */
+PyObject * new_GenI(PyObject *, PyObject *args) {
+ PyObject *x_val_obj;
+ PyObject *y_val_obj;
+ PyObject *z_val_obj;
+ PyObject *sldn_val_obj;
+ PyObject *mx_val_obj;
+ PyObject *my_val_obj;
+ PyObject *mz_val_obj;
+ PyObject *vol_pix_obj;
+ Py_ssize_t n_x;
+ //PyObject rlimit_obj;
+ //PyObject npoints_obj;
+ //PyObject nrbins_obj;
+ //PyObject nphibins_obj;
+ int n_pix;
+ double* x_val;
+ double* y_val;
+ double* z_val;
+ double* sldn_val;
+ double* mx_val;
+ double* my_val;
+ double* mz_val;
+ double* vol_pix;
+ double inspin;
+ double outspin;
+ double stheta;
+
+ if (!PyArg_ParseTuple(args, "iOOOOOOOOddd", &n_pix, &x_val_obj, &y_val_obj, &z_val_obj, &sldn_val_obj, &mx_val_obj, &my_val_obj, &mz_val_obj, &vol_pix_obj, &inspin, &outspin, &stheta)) return NULL;
+ OUTVECTOR(x_val_obj, x_val, n_x);
+ OUTVECTOR(y_val_obj, y_val, n_x);
+ OUTVECTOR(z_val_obj, z_val, n_x);
+ OUTVECTOR(sldn_val_obj, sldn_val, n_x);
+ OUTVECTOR(mx_val_obj, mx_val, n_x);
+ OUTVECTOR(my_val_obj, my_val, n_x);
+ OUTVECTOR(mz_val_obj, mz_val, n_x);
+ OUTVECTOR(vol_pix_obj, vol_pix, n_x);
+ GenI* sld2i = new GenI(n_pix,x_val,y_val,z_val,sldn_val,mx_val,my_val,mz_val,vol_pix,inspin,outspin,stheta);
+ return PyCObject_FromVoidPtr(sld2i, del_sld2i);
+}
+
+/**
+ * GenI the given input (2D) according to a given object
+ */
+PyObject * genicom_inputXY(PyObject *, PyObject *args) {
+ int npoints;
+ PyObject *qx_obj;
+ double *qx;
+ PyObject *qy_obj;
+ double *qy;
+ PyObject *I_out_obj;
+ Py_ssize_t n_out;
+ double *I_out;
+ PyObject *gen_obj;
+
+ if (!PyArg_ParseTuple(args, "OiOOO", &gen_obj, &npoints, &qx_obj, &qy_obj, &I_out_obj)) return NULL;
+ OUTVECTOR(qx_obj, qx, n_out);
+ OUTVECTOR(qy_obj, qy, n_out);
+ OUTVECTOR(I_out_obj, I_out, n_out);
+
+ // Sanity check
+ //if(n_in!=n_out) return Py_BuildValue("i",-1);
+
+ // Set the array pointers
+ void *temp = PyCObject_AsVoidPtr(gen_obj);
+ GenI* s = static_cast<GenI *>(temp);
+
+ s->genicomXY(npoints, qx, qy, I_out);
+ //return PyCObject_FromVoidPtr(s, del_genicom);
+ return Py_BuildValue("i",1);
+}
+
+/**
+ * GenI the given 1D input according to a given object
+ */
+PyObject * genicom_input(PyObject *, PyObject *args) {
+ int npoints;
+ PyObject *q_obj;
+ double *q;
+ PyObject *I_out_obj;
+ Py_ssize_t n_out;
+ double *I_out;
+ PyObject *gen_obj;
+
+ if (!PyArg_ParseTuple(args, "OiOO", &gen_obj, &npoints, &q_obj, &I_out_obj)) return NULL;
+ OUTVECTOR(q_obj, q, n_out);
+ OUTVECTOR(I_out_obj, I_out, n_out);
+
+ // Sanity check
+ //if(n_in!=n_out) return Py_BuildValue("i",-1);
+
+ // Set the array pointers
+ void *temp = PyCObject_AsVoidPtr(gen_obj);
+ GenI* s = static_cast<GenI *>(temp);
+
+ s->genicom(npoints, q, I_out);
+ //return PyCObject_FromVoidPtr(s, del_genicom);
+ return Py_BuildValue("i",1);
+}
+
+/**
+ * Define module methods
+ */
+static PyMethodDef module_methods[] = {
+ {"new_GenI", (PyCFunction)new_GenI, METH_VARARGS,
+ "Create a new GenI object"},
+ {"genicom",(PyCFunction)genicom_input, METH_VARARGS,
+ "genicom the given 1d input arrays"},
+ {"genicomXY",(PyCFunction)genicom_inputXY, METH_VARARGS,
+ "genicomXY the given 2d input arrays"},
+ {NULL}
+};
+
+
+#ifndef PyMODINIT_FUNC /* declarations for DLL import/export */
+#define PyMODINIT_FUNC void
+#endif
+PyMODINIT_FUNC
+initsld2i(void)
+{
+ Py_InitModule3("sld2i", module_methods, "Sld2i module");
+}
diff --git a/src/sas/sascalc/calculator/instrument.py b/src/sas/sascalc/calculator/instrument.py
new file mode 100644
index 0000000..d26cabf
--- /dev/null
+++ b/src/sas/sascalc/calculator/instrument.py
@@ -0,0 +1,390 @@
+"""
+This module is a small tool to allow user to
+control instrumental parameters
+"""
+import numpy
+
+# defaults in cgs unit
+_SAMPLE_A_SIZE = [1.27]
+_SOURCE_A_SIZE = [3.81]
+_SAMPLE_DISTANCE = [1627, 0]
+_SAMPLE_OFFSET = [0, 0]
+_SAMPLE_SIZE = [2.54]
+_SAMPLE_THICKNESS = 0.2
+_D_DISTANCE = [1000, 0]
+_D_SIZE = [128, 128]
+_D_PIX_SIZE = [0.5, 0.5]
+
+_MIN = 0.0
+_MAX = 50.0
+_INTENSITY = 368428
+_WAVE_LENGTH = 6.0
+_WAVE_SPREAD = 0.125
+_MASS = 1.67492729E-24 # [gr]
+_LAMBDA_ARRAY = [[0, 1e+16], [_INTENSITY, _INTENSITY]]
+
+
+class Aperture(object):
+ """
+ An object class that defines the aperture variables
+ """
+ def __init__(self):
+
+ # assumes that all aligned at the centers
+ # aperture_size [diameter] for pinhole, [dx, dy] for rectangular
+ self.sample_size = _SAMPLE_A_SIZE
+ self.source_size = _SOURCE_A_SIZE
+ self.sample_distance = _SAMPLE_DISTANCE
+
+ def set_source_size(self, size=[]):
+ """
+ Set the source aperture size
+ """
+ if len(size) == 0:
+ self.source_size = 0.0
+ else:
+ self.source_size = size
+ validate(size[0])
+
+ def set_sample_size(self, size=[]):
+ """
+ Set the sample aperture size
+ """
+ if len(size) == 0:
+ self.sample_size = 0.0
+ else:
+ self.sample_size = size
+ validate(size[0])
+
+ def set_sample_distance(self, distance=[]):
+ """
+ Set the sample aperture distance
+ """
+ if len(distance) == 0:
+ self.sample_distance = 0.0
+ else:
+ self.sample_distance = distance
+ validate(distance[0])
+
+
+class Sample(object):
+ """
+ An object class that defines the sample variables
+ """
+ def __init__(self):
+
+ # assumes that all aligned at the centers
+ # source2sample or sample2detector distance
+ self.distance = _SAMPLE_OFFSET
+ self.size = _SAMPLE_SIZE
+ self.thickness = _SAMPLE_THICKNESS
+
+ def set_size(self, size=[]):
+ """
+ Set the sample size
+ """
+ if len(size) == 0:
+ self.size = 0.0
+ else:
+ self.size = size
+ validate(size[0])
+
+ def set_thickness(self, thickness=0.0):
+ """
+ Set the sample thickness
+ """
+ self.thickness = thickness
+ validate(thickness)
+
+ def set_distance(self, distance=[]):
+ """
+ Set the sample distance
+ """
+ if len(distance) == 0:
+ self.distance = 0.0
+ else:
+ self.distance = distance
+ if distance[0] != 0.0:
+ validate(distance[0])
+
+
+class Detector(object):
+ """
+ An object class that defines the detector variables
+ """
+ def __init__(self):
+
+ # assumes that all aligned at the centers
+ # source2sample or sample2detector distance
+ self.distance = _D_DISTANCE
+ self.size = _D_SIZE
+ self.pix_size = _D_PIX_SIZE
+
+ def set_size(self, size=[]):
+ """
+ Set the detector size
+ """
+ if len(size) == 0:
+ self.size = 0
+ else:
+ self.size = size
+ validate(size[0])
+
+ def set_pix_size(self, size=[]):
+ """
+ Set the detector pix_size
+ """
+ if len(size) == 0:
+ self.pix_size = 0
+ else:
+ self.pix_size = size
+ validate(size[0])
+
+ def set_distance(self, distance=[]):
+ """
+ Set the detector distance
+ """
+ if len(distance) == 0:
+ self.distance = 0
+ else:
+ self.distance = distance
+ validate(distance[0])
+
+
+class Neutron(object):
+ """
+ An object that defines the wavelength variables
+ """
+ def __init__(self):
+
+ # neutron mass in cgs unit
+ self.mass = _MASS
+
+ # wavelength
+ self.wavelength = _WAVE_LENGTH
+ # wavelength spread (FWHM)
+ self.wavelength_spread = _WAVE_SPREAD
+ # wavelength spectrum
+ self.spectrum = self.get_default_spectrum()
+ # intensity in counts/sec
+ self.intensity = numpy.interp(self.wavelength,
+ self.spectrum[0],
+ self.spectrum[1],
+ 0.0,
+ 0.0)
+ # min max range of the spectrum
+ self.min = min(self.spectrum[0])
+ self.max = max(self.spectrum[0])
+ # wavelength band
+ self.band = [self.min, self.max]
+
+ # default unit of the thickness
+ self.wavelength_unit = 'A'
+
+ def set_full_band(self):
+ """
+ set band to default value
+ """
+ self.band = self.spectrum
+
+ def set_spectrum(self, spectrum):
+ """
+ Set spectrum
+
+ :param spectrum: numpy array
+ """
+ self.spectrum = spectrum
+ self.setup_spectrum()
+
+ def setup_spectrum(self):
+ """
+ To set the wavelength spectrum, and intensity, assumes
+ wavelength is already within the spectrum
+ """
+ spectrum = self.spectrum
+ intensity = numpy.interp(self.wavelength,
+ spectrum[0],
+ spectrum[1],
+ 0.0,
+ 0.0)
+ self.set_intensity(intensity)
+ # min max range of the spectrum
+ self.min = min(self.spectrum[0])
+ self.max = max(self.spectrum[0])
+ # set default band
+ self.set_band([self.min, self.max])
+
+ def set_band(self, band=[]):
+ """
+ To set the wavelength band
+
+ :param band: array of [min, max]
+ """
+ # check if the wavelength is in range
+ if min(band) < self.min or\
+ max(band) > self.max:
+ raise
+ self.band = band
+
+ def set_intensity(self, intensity=368428):
+ """
+ Sets the intensity in counts/sec
+ """
+ self.intensity = intensity
+ validate(intensity)
+
+ def set_wavelength(self, wavelength=_WAVE_LENGTH):
+ """
+ Sets the wavelength
+ """
+ # check if the wavelength is in range
+ if wavelength < min(self.band) or\
+ wavelength > max(self.band):
+ raise
+ self.wavelength = wavelength
+ validate(wavelength)
+ self.intensity = numpy.interp(self.wavelength,
+ self.spectrum[0],
+ self.spectrum[1],
+ 0.0,
+ 0.0)
+
+ def set_mass(self, mass=_MASS):
+ """
+ Sets the wavelength
+ """
+ self.mass = mass
+ validate(mass)
+
+ def set_wavelength_spread(self, spread=_WAVE_SPREAD):
+ """
+ Sets the wavelength spread
+ """
+ self.wavelength_spread = spread
+ if spread != 0.0:
+ validate(spread)
+
+ def get_intensity(self):
+ """
+ To get the value of intensity
+ """
+ return self.intensity
+
+ def get_wavelength(self):
+ """
+ To get the value of wavelength
+ """
+ return self.wavelength
+
+ def get_mass(self):
+ """
+ To get the neutron mass
+ """
+ return self.mass
+
+ def get_wavelength_spread(self):
+ """
+ To get the value of wavelength spread
+ """
+ return self.wavelength_spread
+
+ def get_ramdom_value(self):
+ """
+ To get the value of wave length
+ """
+ return self.wavelength
+
+ def get_spectrum(self):
+ """
+ To get the wavelength spectrum
+ """
+ return self.spectrum
+
+ def get_default_spectrum(self):
+ """
+ get default spectrum
+ """
+ return numpy.array(_LAMBDA_ARRAY)
+
+ def get_band(self):
+ """
+ To get the wavelength band
+ """
+ return self.band
+
+ def plot_spectrum(self):
+ """
+ To plot the wavelength spactrum
+ : requirment: matplotlib.pyplot
+ """
+ try:
+ import matplotlib.pyplot as plt
+ plt.plot(self.spectrum[0], self.spectrum[1], linewidth=2, color='r')
+ plt.legend(['Spectrum'], loc='best')
+ plt.show()
+ except:
+ raise RuntimeError, "Can't import matplotlib required to plot..."
+
+
+class TOF(Neutron):
+ """
+ TOF: make list of wavelength and wave length spreads
+ """
+ def __init__(self):
+ """
+ Init
+ """
+ Neutron.__init__(self)
+ #self.switch = switch
+ self.wavelength_list = [self.wavelength]
+ self.wavelength_spread_list = [self.wavelength_spread]
+ self.intensity_list = self.get_intensity_list()
+
+ def get_intensity_list(self):
+ """
+ get list of the intensity wrt wavelength_list
+ """
+ out = numpy.interp(self.wavelength_list,
+ self.spectrum[0],
+ self.spectrum[1],
+ 0.0,
+ 0.0)
+ return out
+
+ def get_wave_list(self):
+ """
+ Get wavelength and wavelength_spread list
+ """
+ return self.wavelength_list, self.wavelength_spread_list
+
+ def set_wave_list(self, wavelength=[]):
+ """
+ Set wavelength list
+
+ :param wavelength: list of wavelengths
+ """
+ self.wavelength_list = wavelength
+
+ def set_wave_spread_list(self, wavelength_spread=[]):
+ """
+ Set wavelength_spread list
+
+ :param wavelength_spread: list of wavelength spreads
+ """
+ self.wavelength_spread_list = wavelength_spread
+
+
+def validate(value=None):
+ """
+ Check if the value is folat > 0.0
+
+ :return value: True / False
+ """
+ try:
+ val = float(value)
+ if val >= 0:
+ val = True
+ else:
+ val = False
+ except:
+ val = False
diff --git a/src/sas/sascalc/calculator/kiessig_calculator.py b/src/sas/sascalc/calculator/kiessig_calculator.py
new file mode 100644
index 0000000..e44cdb9
--- /dev/null
+++ b/src/sas/sascalc/calculator/kiessig_calculator.py
@@ -0,0 +1,64 @@
+"""
+This module is a small tool to allow user to quickly
+determine the size value in real space from the
+fringe width in q space.
+"""
+from math import pi, fabs
+_DQ_DEFAULT = 0.05
+
+
+class KiessigThicknessCalculator(object):
+ """
+ compute thickness from the fringe width of data
+ """
+ def __init__(self):
+
+ # dq value
+ self.deltaq = _DQ_DEFAULT
+ # thickenss value
+ self.thickness = None
+ # unit of the thickness
+ self.thickness_unit = 'A'
+
+ def set_deltaq(self, dq=None):
+ """
+ Receive deltaQ value
+
+ :param dq: q fringe width in 1/A unit
+ """
+ # set dq
+ self.deltaq = dq
+
+ def get_deltaq(self):
+ """
+ return deltaQ value in 1/A unit
+ """
+ # return dq
+ return self.deltaq
+
+ def compute_thickness(self):
+ """
+ Calculate thickness.
+
+ :return: the thickness.
+ """
+ # check if it is float
+ try:
+ dq = float(self.deltaq)
+ except:
+ return None
+ # check if delta_q is zero
+ if dq == 0.0 or dq == None:
+ return None
+ else:
+ # calculate thickness
+ thickness = 2*pi/fabs(dq)
+ # return thickness value
+ return thickness
+
+ def get_thickness_unit(self):
+ """
+ :return: the thickness unit.
+ """
+ # unit of thickness
+ return self.thickness_unit
diff --git a/src/sas/sascalc/calculator/resolution_calculator.py b/src/sas/sascalc/calculator/resolution_calculator.py
new file mode 100644
index 0000000..5e42445
--- /dev/null
+++ b/src/sas/sascalc/calculator/resolution_calculator.py
@@ -0,0 +1,1167 @@
+"""
+This object is a small tool to allow user to quickly
+determine the variance in q from the
+instrumental parameters.
+"""
+from instrument import Sample
+from instrument import Detector
+from instrument import TOF as Neutron
+from instrument import Aperture
+# import math stuffs
+from math import pi
+from math import sqrt
+import math
+import numpy
+import sys
+import logging
+
+#Plank's constant in cgs unit
+_PLANK_H = 6.62606896E-27
+#Gravitational acc. in cgs unit
+_GRAVITY = 981.0
+
+
+class ResolutionCalculator(object):
+ """
+ compute resolution in 2D
+ """
+ def __init__(self):
+
+ # wavelength
+ self.wave = Neutron()
+ # sample
+ self.sample = Sample()
+ # aperture
+ self.aperture = Aperture()
+ # detector
+ self.detector = Detector()
+ # 2d image of the resolution
+ self.image = []
+ self.image_lam = []
+ # resolutions
+ # lamda in r-direction
+ self.sigma_lamd = 0
+ # x-dir (no lamda)
+ self.sigma_1 = 0
+ #y-dir (no lamda)
+ self.sigma_2 = 0
+ # 1D total
+ self.sigma_1d = 0
+ self.gravity_phi = None
+ # q min and max
+ self.qx_min = -0.3
+ self.qx_max = 0.3
+ self.qy_min = -0.3
+ self.qy_max = 0.3
+ # q min and max of the detector
+ self.detector_qx_min = -0.3
+ self.detector_qx_max = 0.3
+ self.detector_qy_min = -0.3
+ self.detector_qy_max = 0.3
+ # possible max qrange
+ self.qxmin_limit = 0
+ self.qxmax_limit = 0
+ self.qymin_limit = 0
+ self.qymax_limit = 0
+
+ # plots
+ self.plot = None
+ # instrumental params defaults
+ self.mass = 0
+ self.intensity = 0
+ self.wavelength = 0
+ self.wavelength_spread = 0
+ self.source_aperture_size = []
+ self.source2sample_distance = []
+ self.sample2sample_distance = []
+ self.sample_aperture_size = []
+ self.sample2detector_distance = []
+ self.detector_pix_size = []
+ self.detector_size = []
+ self.get_all_instrument_params()
+ # max q range for all lambdas
+ self.qxrange = []
+ self.qyrange = []
+
+ def compute_and_plot(self, qx_value, qy_value, qx_min, qx_max,
+ qy_min, qy_max, coord='cartesian'):
+ """
+ Compute the resolution
+ : qx_value: x component of q
+ : qy_value: y component of q
+ """
+ # make sure to update all the variables need.
+ # except lambda, dlambda, and intensity
+ self.get_all_instrument_params()
+ # wavelength etc.
+ lamda_list, dlamb_list = self.get_wave_list()
+ intens_list = []
+ sig1_list = []
+ sig2_list = []
+ sigr_list = []
+ sigma1d_list = []
+ num_lamda = len(lamda_list)
+ for num in range(num_lamda):
+ lam = lamda_list[num]
+ # wavelength spread
+ dlam = dlamb_list[num]
+ intens = self.setup_tof(lam, dlam)
+ intens_list.append(intens)
+ # cehck if tof
+ if num_lamda > 1:
+ tof = True
+ else:
+ tof = False
+ # compute 2d resolution
+ _, _, sigma_1, sigma_2, sigma_r, sigma1d = \
+ self.compute(lam, dlam, qx_value, qy_value, coord, tof)
+ # make image
+ image = self.get_image(qx_value, qy_value, sigma_1, sigma_2,
+ sigma_r, qx_min, qx_max, qy_min, qy_max,
+ coord, False)
+ if qx_min > self.qx_min:
+ qx_min = self.qx_min
+ if qx_max < self.qx_max:
+ qx_max = self.qx_max
+ if qy_min > self.qy_min:
+ qy_min = self.qy_min
+ if qy_max < self.qy_max:
+ qy_max = self.qy_max
+
+ # set max qranges
+ self.qxrange = [qx_min, qx_max]
+ self.qyrange = [qy_min, qy_max]
+ sig1_list.append(sigma_1)
+ sig2_list.append(sigma_2)
+ sigr_list.append(sigma_r)
+ sigma1d_list.append(sigma1d)
+ # redraw image in global 2d q-space.
+ self.image_lam = []
+ total_intensity = 0
+ sigma_1 = 0
+ sigma_r = 0
+ sigma_2 = 0
+ sigma1d = 0
+ for ind in range(num_lamda):
+ lam = lamda_list[ind]
+ dlam = dlamb_list[ind]
+ intens = self.setup_tof(lam, dlam)
+ out = self.get_image(qx_value, qy_value, sig1_list[ind],
+ sig2_list[ind], sigr_list[ind],
+ qx_min, qx_max, qy_min, qy_max, coord)
+ # this is the case of q being outside the detector
+ #if numpy.all(out==0.0):
+ # continue
+ image = out
+ # set variance as sigmas
+ sigma_1 += sig1_list[ind] * sig1_list[ind] * self.intensity
+ sigma_r += sigr_list[ind] * sigr_list[ind] * self.intensity
+ sigma_2 += sig2_list[ind] * sig2_list[ind] * self.intensity
+ sigma1d += sigma1d_list[ind] * sigma1d_list[ind] * self.intensity
+ total_intensity += self.intensity
+
+ if total_intensity != 0:
+ # average variance
+ image_out = image / total_intensity
+ sigma_1 = sigma_1 / total_intensity
+ sigma_r = sigma_r / total_intensity
+ sigma_2 = sigma_2 / total_intensity
+ sigma1d = sigma1d / total_intensity
+ # set sigmas
+ self.sigma_1 = sqrt(sigma_1)
+ self.sigma_lamd = sqrt(sigma_r)
+ self.sigma_2 = sqrt(sigma_2)
+ self.sigma_1d = sqrt(sigma1d)
+ # rescale
+ max_im_val = 1
+ if max_im_val > 0:
+ image_out /= max_im_val
+ else:
+ image_out = image * 0.0
+ # Don't calculate sigmas nor set self.sigmas!
+ sigma_1 = 0
+ sigma_r = 0
+ sigma_2 = 0
+ sigma1d = 0
+ if len(self.image) > 0:
+ self.image += image_out
+ else:
+ self.image = image_out
+
+ # plot image
+ return self.plot_image(self.image)
+
+ def setup_tof(self, wavelength, wavelength_spread):
+ """
+ Setup all parameters in instrument
+
+ : param ind: index of lambda, etc
+ """
+
+ # set wave.wavelength
+ self.set_wavelength(wavelength)
+ self.set_wavelength_spread(wavelength_spread)
+ self.intensity = self.wave.get_intensity()
+
+ if wavelength == 0:
+ msg = "Can't compute the resolution: the wavelength is zero..."
+ raise RuntimeError, msg
+ return self.intensity
+
+ def compute(self, wavelength, wavelength_spread, qx_value, qy_value,
+ coord='cartesian', tof=False):
+ """
+ Compute the Q resoltuion in || and + direction of 2D
+ : qx_value: x component of q
+ : qy_value: y component of q
+ """
+ coord = 'cartesian'
+ lamb = wavelength
+ lamb_spread = wavelength_spread
+ # the shape of wavelength distribution
+
+ if tof:
+ # rectangular
+ tof_factor = 2
+ else:
+ # triangular
+ tof_factor = 1
+ # Find polar values
+ qr_value, phi = self._get_polar_value(qx_value, qy_value)
+ # vacuum wave transfer
+ knot = 2*pi/lamb
+ # scattering angle theta; always true for plane detector
+ # aligned vertically to the ko direction
+ if qr_value > knot:
+ theta = pi/2
+ else:
+ theta = math.asin(qr_value/knot)
+ # source aperture size
+ rone = self.source_aperture_size
+ # sample aperture size
+ rtwo = self.sample_aperture_size
+ # detector pixel size
+ rthree = self.detector_pix_size
+ # source to sample(aperture) distance
+ l_ssa = self.source2sample_distance[0]
+ # sample(aperture) to detector distance
+ l_sad = self.sample2detector_distance[0]
+ # sample (aperture) to sample distance
+ l_sas = self.sample2sample_distance[0]
+ # source to sample distance
+ l_one = l_ssa + l_sas
+ # sample to detector distance
+ l_two = l_sad - l_sas
+
+ # Sample offset correction for l_one and Lp on variance calculation
+ l1_cor = (l_ssa * l_two) / (l_sas + l_two)
+ lp_cor = (l_ssa * l_two) / (l_one + l_two)
+ # the radial distance to the pixel from the center of the detector
+ radius = math.tan(theta) * l_two
+ #Lp = l_one*l_two/(l_one+l_two)
+ # default polar coordinate
+ comp1 = 'radial'
+ comp2 = 'phi'
+ # in the case of the cartesian coordinate
+ if coord == 'cartesian':
+ comp1 = 'x'
+ comp2 = 'y'
+
+ # sigma in the radial/x direction
+ # for source aperture
+ sigma_1 = self.get_variance(rone, l1_cor, phi, comp1)
+ # for sample apperture
+ sigma_1 += self.get_variance(rtwo, lp_cor, phi, comp1)
+ # for detector pix
+ sigma_1 += self.get_variance(rthree, l_two, phi, comp1)
+ # for gravity term for 1d
+ sigma_1grav1d = self.get_variance_gravity(l_ssa, l_sad, lamb,
+ lamb_spread, phi, comp1, 'on') / tof_factor
+ # for wavelength spread
+ # reserve for 1d calculation
+ A_value = self._cal_A_value(lamb, l_ssa, l_sad)
+ sigma_wave_1, sigma_wave_1_1d = self.get_variance_wave(A_value,
+ radius, l_two, lamb_spread,
+ phi, 'radial', 'on')
+ sigma_wave_1 /= tof_factor
+ sigma_wave_1_1d /= tof_factor
+ # for 1d
+ variance_1d_1 = (sigma_1 + sigma_1grav1d) / 2 + sigma_wave_1_1d
+ # normalize
+ variance_1d_1 = knot * knot * variance_1d_1 / 12
+
+ # for 2d
+ #sigma_1 += sigma_wave_1
+ # normalize
+ sigma_1 = knot * sqrt(sigma_1 / 12)
+ sigma_r = knot * sqrt(sigma_wave_1 / (tof_factor *12))
+ # sigma in the phi/y direction
+ # for source apperture
+ sigma_2 = self.get_variance(rone, l1_cor, phi, comp2)
+
+ # for sample apperture
+ sigma_2 += self.get_variance(rtwo, lp_cor, phi, comp2)
+
+ # for detector pix
+ sigma_2 += self.get_variance(rthree, l_two, phi, comp2)
+
+ # for gravity term for 1d
+ sigma_2grav1d = self.get_variance_gravity(l_ssa, l_sad, lamb,
+ lamb_spread, phi, comp2, 'on') / tof_factor
+
+ # for wavelength spread
+ # reserve for 1d calculation
+ sigma_wave_2, sigma_wave_2_1d = self.get_variance_wave(A_value,
+ radius, l_two, lamb_spread,
+ phi, 'phi', 'on')
+ sigma_wave_2 /= tof_factor
+ sigma_wave_2_1d /= tof_factor
+ # for 1d
+ variance_1d_2 = (sigma_2 + sigma_2grav1d) / 2 + sigma_wave_2_1d
+ # normalize
+ variance_1d_2 = knot * knot * variance_1d_2 / 12
+
+ # for 2d
+ #sigma_2 = knot*sqrt(sigma_2/12)
+ #sigma_2 += sigma_wave_2
+ # normalize
+ sigma_2 = knot * sqrt(sigma_2 / 12)
+ sigma1d = sqrt(variance_1d_1 + variance_1d_2)
+ # set sigmas
+ self.sigma_1 = sigma_1
+ self.sigma_lamd = sigma_r
+ self.sigma_2 = sigma_2
+ self.sigma_1d = sigma1d
+ return qr_value, phi, sigma_1, sigma_2, sigma_r, sigma1d
+
+ def _within_detector_range(self, qx_value, qy_value):
+ """
+ check if qvalues are within detector range
+ """
+ # detector range
+ detector_qx_min = self.detector_qx_min
+ detector_qx_max = self.detector_qx_max
+ detector_qy_min = self.detector_qy_min
+ detector_qy_max = self.detector_qy_max
+ if self.qxmin_limit > detector_qx_min:
+ self.qxmin_limit = detector_qx_min
+ if self.qxmax_limit < detector_qx_max:
+ self.qxmax_limit = detector_qx_max
+ if self.qymin_limit > detector_qy_min:
+ self.qymin_limit = detector_qy_min
+ if self.qymax_limit < detector_qy_max:
+ self.qymax_limit = detector_qy_max
+ if qx_value < detector_qx_min or qx_value > detector_qx_max:
+ return False
+ if qy_value < detector_qy_min or qy_value > detector_qy_max:
+ return False
+ return True
+
+ def get_image(self, qx_value, qy_value, sigma_1, sigma_2, sigma_r,
+ qx_min, qx_max, qy_min, qy_max,
+ coord='cartesian', full_cal=True):
+ """
+ Get the resolution in polar coordinate ready to plot
+ : qx_value: qx_value value
+ : qy_value: qy_value value
+ : sigma_1: variance in r direction
+ : sigma_2: variance in phi direction
+ : coord: coordinate system of image, 'polar' or 'cartesian'
+ """
+ # Get qx_max and qy_max...
+ self._get_detector_qxqy_pixels()
+
+ qr_value, phi = self._get_polar_value(qx_value, qy_value)
+
+ # Check whether the q value is within the detector range
+ if qx_min < self.qx_min:
+ self.qx_min = qx_min
+ #raise ValueError, msg
+ if qx_max > self.qx_max:
+ self.qx_max = qx_max
+ #raise ValueError, msg
+ if qy_min < self.qy_min:
+ self.qy_min = qy_min
+ #raise ValueError, msg
+ if qy_max > self.qy_max:
+ self.qy_max = qy_max
+ #raise ValueError, msg
+ if not full_cal:
+ return None
+
+ # Make an empty graph in the detector scale
+ dx_size = (self.qx_max - self.qx_min) / (1000 - 1)
+ dy_size = (self.qy_max - self.qy_min) / (1000 - 1)
+ x_val = numpy.arange(self.qx_min, self.qx_max, dx_size)
+ y_val = numpy.arange(self.qy_max, self.qy_min, -dy_size)
+ q_1, q_2 = numpy.meshgrid(x_val, y_val)
+ #q_phi = numpy.arctan(q_1,q_2)
+ # check whether polar or cartesian
+ if coord == 'polar':
+ # Find polar values
+ qr_value, phi = self._get_polar_value(qx_value, qy_value)
+ q_1, q_2 = self._rotate_z(q_1, q_2, phi)
+ qc_1 = qr_value
+ qc_2 = 0.0
+ # Calculate the 2D Gaussian distribution image
+ image = self._gaussian2d_polar(q_1, q_2, qc_1, qc_2,
+ sigma_1, sigma_2, sigma_r)
+ else:
+ # catesian coordinate
+ # qx_center
+ qc_1 = qx_value
+ # qy_center
+ qc_2 = qy_value
+
+ # Calculate the 2D Gaussian distribution image
+ image = self._gaussian2d(q_1, q_2, qc_1, qc_2,
+ sigma_1, sigma_2, sigma_r)
+ # out side of detector
+ if not self._within_detector_range(qx_value, qy_value):
+ image *= 0.0
+ self.intensity = 0.0
+ #return self.image
+
+ # Add it if there are more than one inputs.
+ if len(self.image_lam) > 0:
+ self.image_lam += image * self.intensity
+ else:
+ self.image_lam = image * self.intensity
+
+ return self.image_lam
+
+ def plot_image(self, image):
+ """
+ Plot image using pyplot
+ : image: 2d resolution image
+
+ : return plt: pylab object
+ """
+ import matplotlib.pyplot as plt
+
+ self.plot = plt
+ plt.xlabel('$\\rm{Q}_{x} [A^{-1}]$')
+ plt.ylabel('$\\rm{Q}_{y} [A^{-1}]$')
+ # Max value of the image
+ # max = numpy.max(image)
+ qx_min, qx_max, qy_min, qy_max = self.get_detector_qrange()
+
+ # Image
+ im = plt.imshow(image,
+ extent=[qx_min, qx_max, qy_min, qy_max])
+
+ # bilinear interpolation to make it smoother
+ im.set_interpolation('bilinear')
+
+ return plt
+
+ def reset_image(self):
+ """
+ Reset image to default (=[])
+ """
+ self.image = []
+
+ def get_variance(self, size=[], distance=0, phi=0, comp='radial'):
+ """
+ Get the variance when the slit/pinhole size is given
+ : size: list that can be one(diameter for circular) or two components(lengths for rectangular)
+ : distance: [z, x] where z along the incident beam, x // qx_value
+ : comp: direction of the sigma; can be 'phi', 'y', 'x', and 'radial'
+
+ : return variance: sigma^2
+ """
+ # check the length of size (list)
+ len_size = len(size)
+
+ # define sigma component direction
+ if comp == 'radial':
+ phi_x = math.cos(phi)
+ phi_y = math.sin(phi)
+ elif comp == 'phi':
+ phi_x = math.sin(phi)
+ phi_y = math.cos(phi)
+ elif comp == 'x':
+ phi_x = 1
+ phi_y = 0
+ elif comp == 'y':
+ phi_x = 0
+ phi_y = 1
+ else:
+ phi_x = 0
+ phi_y = 0
+ # calculate each component
+ # for pinhole w/ radius = size[0]/2
+ if len_size == 1:
+ x_comp = (0.5 * size[0]) * sqrt(3)
+ y_comp = 0
+ # for rectangular slit
+ elif len_size == 2:
+ x_comp = size[0] * phi_x
+ y_comp = size[1] * phi_y
+ # otherwise
+ else:
+ raise ValueError, " Improper input..."
+ # get them squared
+ sigma = x_comp * x_comp
+ sigma += y_comp * y_comp
+ # normalize by distance
+ sigma /= (distance * distance)
+
+ return sigma
+
+ def get_variance_wave(self, A_value, radius, distance, spread, phi,
+ comp='radial', switch='on'):
+ """
+ Get the variance when the wavelength spread is given
+
+ : radius: the radial distance from the beam center to the pix of q
+ : distance: sample to detector distance
+ : spread: wavelength spread (ratio)
+ : comp: direction of the sigma; can be 'phi', 'y', 'x', and 'radial'
+
+ : return variance: sigma^2 for 2d, sigma^2 for 1d [tuple]
+ """
+ if switch.lower() == 'off':
+ return 0, 0
+ # check the singular point
+ if distance == 0 or comp == 'phi':
+ return 0, 0
+ else:
+ # calculate sigma^2 for 1d
+ sigma1d = 2 * math.pow(radius/distance*spread, 2)
+ if comp == 'x':
+ sigma1d *= (math.cos(phi)*math.cos(phi))
+ elif comp == 'y':
+ sigma1d *= (math.sin(phi)*math.sin(phi))
+ else:
+ sigma1d *= 1
+ # sigma^2 for 2d
+ # shift the coordinate due to the gravitational shift
+ rad_x = radius * math.cos(phi)
+ rad_y = A_value - radius * math.sin(phi)
+ radius = math.sqrt(rad_x * rad_x + rad_y * rad_y)
+ # new phi
+ phi = math.atan2(-rad_y, rad_x)
+ self.gravity_phi = phi
+ # calculate sigma^2
+ sigma = 2 * math.pow(radius/distance*spread, 2)
+ if comp == 'x':
+ sigma *= (math.cos(phi)*math.cos(phi))
+ elif comp == 'y':
+ sigma *= (math.sin(phi)*math.sin(phi))
+ else:
+ sigma *= 1
+
+ return sigma, sigma1d
+
+ def get_variance_gravity(self, s_distance, d_distance, wavelength, spread,
+ phi, comp='radial', switch='on'):
+ """
+ Get the variance from gravity when the wavelength spread is given
+
+ : s_distance: source to sample distance
+ : d_distance: sample to detector distance
+ : wavelength: wavelength
+ : spread: wavelength spread (ratio)
+ : comp: direction of the sigma; can be 'phi', 'y', 'x', and 'radial'
+
+ : return variance: sigma^2
+ """
+ if switch.lower() == 'off':
+ return 0
+ if self.mass == 0.0:
+ return 0
+ # check the singular point
+ if d_distance == 0 or comp == 'x':
+ return 0
+ else:
+ a_value = self._cal_A_value(None, s_distance, d_distance)
+ # calculate sigma^2
+ sigma = math.pow(a_value / d_distance, 2)
+ sigma *= math.pow(wavelength, 4)
+ sigma *= math.pow(spread, 2)
+ sigma *= 8
+ return sigma
+
+ def _cal_A_value(self, lamda, s_distance, d_distance):
+ """
+ Calculate A value for gravity
+
+ : s_distance: source to sample distance
+ : d_distance: sample to detector distance
+ """
+ # neutron mass in cgs unit
+ self.mass = self.get_neutron_mass()
+ # plank constant in cgs unit
+ h_constant = _PLANK_H
+ # gravity in cgs unit
+ gravy = _GRAVITY
+ # m/h
+ m_over_h = self.mass / h_constant
+ # A value
+ a_value = d_distance * (s_distance + d_distance)
+ a_value *= math.pow(m_over_h / 2, 2)
+ a_value *= gravy
+ # unit correction (1/cm to 1/A) for A and d_distance below
+ a_value *= 1.0E-16
+ # if lamda is give (broad meanning of A) return 2* lamda^2 * A
+ if lamda != None:
+ a_value *= (4 * lamda * lamda)
+ return a_value
+
+ def get_intensity(self):
+ """
+ Get intensity
+ """
+ return self.wave.intensity
+
+ def get_wavelength(self):
+ """
+ Get wavelength
+ """
+ return self.wave.wavelength
+
+ def get_default_spectrum(self):
+ """
+ Get default_spectrum
+ """
+ return self.wave.get_default_spectrum()
+
+ def get_spectrum(self):
+ """
+ Get _spectrum
+ """
+ return self.wave.get_spectrum()
+
+ def get_wavelength_spread(self):
+ """
+ Get wavelength spread
+ """
+ return self.wave.wavelength_spread
+
+ def get_neutron_mass(self):
+ """
+ Get Neutron mass
+ """
+ return self.wave.mass
+
+ def get_source_aperture_size(self):
+ """
+ Get source aperture size
+ """
+ return self.aperture.source_size
+
+ def get_sample_aperture_size(self):
+ """
+ Get sample aperture size
+ """
+ return self.aperture.sample_size
+
+ def get_detector_pix_size(self):
+ """
+ Get detector pixel size
+ """
+ return self.detector.pix_size
+
+ def get_detector_size(self):
+ """
+ Get detector size
+ """
+ return self.detector.size
+
+ def get_source2sample_distance(self):
+ """
+ Get detector source2sample_distance
+ """
+ return self.aperture.sample_distance
+
+ def get_sample2sample_distance(self):
+ """
+ Get detector sampleslitsample_distance
+ """
+ return self.sample.distance
+
+ def get_sample2detector_distance(self):
+ """
+ Get detector sample2detector_distance
+ """
+ return self.detector.distance
+
+ def set_intensity(self, intensity):
+ """
+ Set intensity
+ """
+ self.wave.set_intensity(intensity)
+
+ def set_wave(self, wavelength):
+ """
+ Set wavelength list or wavelength
+ """
+ if wavelength.__class__.__name__ == 'list':
+ self.wave.set_wave_list(wavelength)
+ elif wavelength.__class__.__name__ == 'float':
+ self.wave.set_wave_list([wavelength])
+ #self.set_wavelength(wavelength)
+ else:
+ raise
+
+ def set_wave_spread(self, wavelength_spread):
+ """
+ Set wavelength spread or wavelength spread
+ """
+ if wavelength_spread.__class__.__name__ == 'list':
+ self.wave.set_wave_spread_list(wavelength_spread)
+ elif wavelength_spread.__class__.__name__ == 'float':
+ self.wave.set_wave_spread_list([wavelength_spread])
+ else:
+ raise
+
+ def set_wavelength(self, wavelength):
+ """
+ Set wavelength
+ """
+ self.wavelength = wavelength
+ self.wave.set_wavelength(wavelength)
+
+ def set_spectrum(self, spectrum):
+ """
+ Set spectrum
+ """
+ self.spectrum = spectrum
+ self.wave.set_spectrum(spectrum)
+
+ def set_wavelength_spread(self, wavelength_spread):
+ """
+ Set wavelength spread
+ """
+ self.wavelength_spread = wavelength_spread
+ self.wave.set_wavelength_spread(wavelength_spread)
+
+ def set_wave_list(self, wavelength_list, wavelengthspread_list):
+ """
+ Set wavelength and its spread list
+ """
+ self.wave.set_wave_list(wavelength_list)
+ self.wave.set_wave_spread_list(wavelengthspread_list)
+
+ def get_wave_list(self):
+ """
+ Set wavelength spread
+ """
+ return self.wave.get_wave_list()
+
+ def get_intensity_list(self):
+ """
+ Set wavelength spread
+ """
+ return self.wave.get_intensity_list()
+
+ def set_source_aperture_size(self, size):
+ """
+ Set source aperture size
+
+ : param size: [dia_value] or [x_value, y_value]
+ """
+ if len(size) < 1 or len(size) > 2:
+ raise RuntimeError, "The length of the size must be one or two."
+ self.aperture.set_source_size(size)
+
+ def set_neutron_mass(self, mass):
+ """
+ Set Neutron mass
+ """
+ self.wave.set_mass(mass)
+ self.mass = mass
+
+ def set_sample_aperture_size(self, size):
+ """
+ Set sample aperture size
+
+ : param size: [dia_value] or [xheight_value, yheight_value]
+ """
+ if len(size) < 1 or len(size) > 2:
+ raise RuntimeError, "The length of the size must be one or two."
+ self.aperture.set_sample_size(size)
+
+ def set_detector_pix_size(self, size):
+ """
+ Set detector pixel size
+ """
+ self.detector.set_pix_size(size)
+
+ def set_detector_size(self, size):
+ """
+ Set detector size in number of pixels
+ : param size: [pixel_nums] or [x_pix_num, yx_pix_num]
+ """
+ self.detector.set_size(size)
+
+ def set_source2sample_distance(self, distance):
+ """
+ Set detector source2sample_distance
+
+ : param distance: [distance, x_offset]
+ """
+ if len(distance) < 1 or len(distance) > 2:
+ raise RuntimeError, "The length of the size must be one or two."
+ self.aperture.set_sample_distance(distance)
+
+ def set_sample2sample_distance(self, distance):
+ """
+ Set detector sample_slit2sample_distance
+
+ : param distance: [distance, x_offset]
+ """
+ if len(distance) < 1 or len(distance) > 2:
+ raise RuntimeError, "The length of the size must be one or two."
+ self.sample.set_distance(distance)
+
+ def set_sample2detector_distance(self, distance):
+ """
+ Set detector sample2detector_distance
+
+ : param distance: [distance, x_offset]
+ """
+ if len(distance) < 1 or len(distance) > 2:
+ raise RuntimeError, "The length of the size must be one or two."
+ self.detector.set_distance(distance)
+
+ def get_all_instrument_params(self):
+ """
+ Get all instrumental parameters
+ """
+ self.mass = self.get_neutron_mass()
+ self.spectrum = self.get_spectrum()
+ self.source_aperture_size = self.get_source_aperture_size()
+ self.sample_aperture_size = self.get_sample_aperture_size()
+ self.detector_pix_size = self.get_detector_pix_size()
+ self.detector_size = self.get_detector_size()
+ self.source2sample_distance = self.get_source2sample_distance()
+ self.sample2sample_distance = self.get_sample2sample_distance()
+ self.sample2detector_distance = self.get_sample2detector_distance()
+
+ def get_detector_qrange(self):
+ """
+ get max detector q ranges
+
+ : return: qx_min, qx_max, qy_min, qy_max tuple
+ """
+ if len(self.qxrange) != 2 or len(self.qyrange) != 2:
+ return None
+ qx_min = self.qxrange[0]
+ qx_max = self.qxrange[1]
+ qy_min = self.qyrange[0]
+ qy_max = self.qyrange[1]
+
+ return qx_min, qx_max, qy_min, qy_max
+
+ def _rotate_z(self, x_value, y_value, theta=0.0):
+ """
+ Rotate x-y cordinate around z-axis by theta
+ : x_value: numpy array of x values
+ : y_value: numpy array of y values
+ : theta: angle to rotate by in rad
+
+ :return: x_prime, y-prime
+ """
+ # rotate by theta
+ x_prime = x_value * math.cos(theta) + y_value * math.sin(theta)
+ y_prime = -x_value * math.sin(theta) + y_value * math.cos(theta)
+
+ return x_prime, y_prime
+
+ def _gaussian2d(self, x_val, y_val, x0_val, y0_val,
+ sigma_x, sigma_y, sigma_r):
+ """
+ Calculate 2D Gaussian distribution
+ : x_val: x value
+ : y_val: y value
+ : x0_val: mean value in x-axis
+ : y0_val: mean value in y-axis
+ : sigma_x: variance in x-direction
+ : sigma_y: variance in y-direction
+
+ : return: gaussian (value)
+ """
+ # phi values at each points (not at the center)
+ x_value = x_val - x0_val
+ y_value = y_val - y0_val
+ phi_i = numpy.arctan2(y_val, x_val)
+
+ # phi correction due to the gravity shift (in phi)
+ phi_0 = math.atan2(y0_val, x0_val)
+ phi_i = phi_i - phi_0 + self.gravity_phi
+
+ sin_phi = numpy.sin(self.gravity_phi)
+ cos_phi = numpy.cos(self.gravity_phi)
+
+ x_p = x_value * cos_phi + y_value * sin_phi
+ y_p = -x_value * sin_phi + y_value * cos_phi
+
+ new_sig_x = sqrt(sigma_r * sigma_r / (sigma_x * sigma_x) + 1)
+ new_sig_y = sqrt(sigma_r * sigma_r / (sigma_y * sigma_y) + 1)
+ new_x = x_p * cos_phi / new_sig_x - y_p * sin_phi
+ new_x /= sigma_x
+ new_y = x_p * sin_phi / new_sig_y + y_p * cos_phi
+ new_y /= sigma_y
+
+ nu_value = -0.5 * (new_x * new_x + new_y * new_y)
+
+ gaussian = numpy.exp(nu_value)
+ # normalizing factor correction
+ gaussian /= gaussian.sum()
+
+ return gaussian
+
+ def _gaussian2d_polar(self, x_val, y_val, x0_val, y0_val,
+ sigma_x, sigma_y, sigma_r):
+ """
+ Calculate 2D Gaussian distribution for polar coodinate
+ : x_val: x value
+ : y_val: y value
+ : x0_val: mean value in x-axis
+ : y0_val: mean value in y-axis
+ : sigma_x: variance in r-direction
+ : sigma_y: variance in phi-direction
+ : sigma_r: wavelength variance in r-direction
+
+ : return: gaussian (value)
+ """
+ sigma_x = sqrt(sigma_x * sigma_x + sigma_r * sigma_r)
+ # call gaussian1d
+ gaussian = self._gaussian1d(x_val, x0_val, sigma_x)
+ gaussian *= self._gaussian1d(y_val, y0_val, sigma_y)
+
+ # normalizing factor correction
+ if sigma_x != 0 and sigma_y != 0:
+ gaussian *= sqrt(2 * pi)
+ return gaussian
+
+ def _gaussian1d(self, value, mean, sigma):
+ """
+ Calculate 1D Gaussian distribution
+ : value: value
+ : mean: mean value
+ : sigma: variance
+
+ : return: gaussian (value)
+ """
+ # default
+ gaussian = 1.0
+ if sigma != 0:
+ # get exponent
+ nu_value = (value - mean) / sigma
+ nu_value *= nu_value
+ nu_value *= -0.5
+ gaussian *= numpy.exp(nu_value)
+ gaussian /= sigma
+ # normalize
+ gaussian /= sqrt(2 * pi)
+
+ return gaussian
+
+ def _atan_phi(self, qy_value, qx_value):
+ """
+ Find the angle phi of q on the detector plane for qx_value, qy_value given
+ : qx_value: x component of q
+ : qy_value: y component of q
+
+ : return phi: the azimuthal angle of q on x-y plane
+ """
+ phi = math.atan2(qy_value, qx_value)
+ return phi
+
+ def _get_detector_qxqy_pixels(self):
+ """
+ Get the pixel positions of the detector in the qx_value-qy_value space
+ """
+
+ # update all param values
+ self.get_all_instrument_params()
+
+ # wavelength
+ wavelength = self.wave.wavelength
+ # Gavity correction
+ delta_y = self._get_beamcenter_drop() # in cm
+
+ # detector_pix size
+ detector_pix_size = self.detector_pix_size
+ # Square or circular pixel
+ if len(detector_pix_size) == 1:
+ pix_x_size = detector_pix_size[0]
+ pix_y_size = detector_pix_size[0]
+ # rectangular pixel pixel
+ elif len(detector_pix_size) == 2:
+ pix_x_size = detector_pix_size[0]
+ pix_y_size = detector_pix_size[1]
+ else:
+ raise ValueError, " Input value format error..."
+ # Sample to detector distance = sample slit to detector
+ # minus sample offset
+ sample2detector_distance = self.sample2detector_distance[0] - \
+ self.sample2sample_distance[0]
+ # detector offset in x-direction
+ detector_offset = 0
+ try:
+ detector_offset = self.sample2detector_distance[1]
+ except:
+ logging.error(sys.exc_value)
+
+ # detector size in [no of pix_x,no of pix_y]
+ detector_pix_nums_x = self.detector_size[0]
+
+ # get pix_y if it exists, otherwse take it from [0]
+ try:
+ detector_pix_nums_y = self.detector_size[1]
+ except:
+ detector_pix_nums_y = self.detector_size[0]
+
+ # detector offset in pix number
+ offset_x = detector_offset / pix_x_size
+ offset_y = delta_y / pix_y_size
+
+ # beam center position in pix number (start from 0)
+ center_x, center_y = self._get_beamcenter_position(detector_pix_nums_x,
+ detector_pix_nums_y,
+ offset_x, offset_y)
+ # distance [cm] from the beam center on detector plane
+ detector_ind_x = numpy.arange(detector_pix_nums_x)
+ detector_ind_y = numpy.arange(detector_pix_nums_y)
+
+ # shif 0.5 pixel so that pix position is at the center of the pixel
+ detector_ind_x = detector_ind_x + 0.5
+ detector_ind_y = detector_ind_y + 0.5
+
+ # the relative postion from the beam center
+ detector_ind_x = detector_ind_x - center_x
+ detector_ind_y = detector_ind_y - center_y
+
+ # unit correction in cm
+ detector_ind_x = detector_ind_x * pix_x_size
+ detector_ind_y = detector_ind_y * pix_y_size
+
+ qx_value = numpy.zeros(len(detector_ind_x))
+ qy_value = numpy.zeros(len(detector_ind_y))
+ i = 0
+
+ for indx in detector_ind_x:
+ qx_value[i] = self._get_qx(indx, sample2detector_distance, wavelength)
+ i += 1
+ i = 0
+ for indy in detector_ind_y:
+ qy_value[i] = self._get_qx(indy, sample2detector_distance, wavelength)
+ i += 1
+
+ # qx_value and qy_value values in array
+ qx_value = qx_value.repeat(detector_pix_nums_y)
+ qx_value = qx_value.reshape(detector_pix_nums_x, detector_pix_nums_y)
+ qy_value = qy_value.repeat(detector_pix_nums_x)
+ qy_value = qy_value.reshape(detector_pix_nums_y, detector_pix_nums_x)
+ qy_value = qy_value.transpose()
+
+ # p min and max values among the center of pixels
+ self.qx_min = numpy.min(qx_value)
+ self.qx_max = numpy.max(qx_value)
+ self.qy_min = numpy.min(qy_value)
+ self.qy_max = numpy.max(qy_value)
+
+ # Appr. min and max values of the detector display limits
+ # i.e., edges of the last pixels.
+ self.qy_min += self._get_qx(-0.5 * pix_y_size,
+ sample2detector_distance, wavelength)
+ self.qy_max += self._get_qx(0.5 * pix_y_size,
+ sample2detector_distance, wavelength)
+ #if self.qx_min == self.qx_max:
+ self.qx_min += self._get_qx(-0.5 * pix_x_size,
+ sample2detector_distance, wavelength)
+ self.qx_max += self._get_qx(0.5 * pix_x_size,
+ sample2detector_distance, wavelength)
+
+ # min and max values of detecter
+ self.detector_qx_min = self.qx_min
+ self.detector_qx_max = self.qx_max
+ self.detector_qy_min = self.qy_min
+ self.detector_qy_max = self.qy_max
+
+ # try to set it as a Data2D otherwise pass (not required for now)
+ try:
+ from sas.sascalc.dataloader.data_info import Data2D
+ output = Data2D()
+ inten = numpy.zeros_like(qx_value)
+ output.data = inten
+ output.qx_data = qx_value
+ output.qy_data = qy_value
+ except:
+ logging.error(sys.exc_value)
+
+ return output
+
+ def _get_qx(self, dx_size, det_dist, wavelength):
+ """
+ :param dx_size: x-distance from beam center [cm]
+ :param det_dist: sample to detector distance [cm]
+
+ :return: q-value at the given position
+ """
+ # Distance from beam center in the plane of detector
+ plane_dist = dx_size
+ # full scattering angle on the x-axis
+ theta = numpy.arctan(plane_dist / det_dist)
+ qx_value = (2.0 * pi / wavelength) * numpy.sin(theta)
+ return qx_value
+
+ def _get_polar_value(self, qx_value, qy_value):
+ """
+ Find qr_value and phi from qx_value and qy_value values
+
+ : return qr_value, phi
+ """
+ # find |q| on detector plane
+ qr_value = sqrt(qx_value*qx_value + qy_value*qy_value)
+ # find angle phi
+ phi = self._atan_phi(qy_value, qx_value)
+
+ return qr_value, phi
+
+ def _get_beamcenter_position(self, num_x, num_y, offset_x, offset_y):
+ """
+ :param num_x: number of pixel in x-direction
+ :param num_y: number of pixel in y-direction
+ :param offset: detector offset in x-direction in pix number
+
+ :return: pix number; pos_x, pos_y in pix index
+ """
+ # beam center position
+ pos_x = num_x / 2
+ pos_y = num_y / 2
+
+ # correction for offset
+ pos_x += offset_x
+ # correction for gravity that is always negative
+ pos_y -= offset_y
+
+ return pos_x, pos_y
+
+ def _get_beamcenter_drop(self):
+ """
+ Get the beam center drop (delta y) in y diection due to gravity
+
+ :return delta y: the beam center drop in cm
+ """
+ # Check if mass == 0 (X-ray).
+ if self.mass == 0:
+ return 0
+ # Covert unit from A to cm
+ unit_cm = 1e-08
+ # Velocity of neutron in horizontal direction (~ actual velocity)
+ velocity = _PLANK_H / (self.mass * self.wave.wavelength * unit_cm)
+ # Compute delta y
+ delta_y = 0.5
+ delta_y *= _GRAVITY
+ sampletodetector = self.sample2detector_distance[0] - \
+ self.sample2sample_distance[0]
+ delta_y *= sampletodetector
+ delta_y *= (self.source2sample_distance[0] + self.sample2detector_distance[0])
+ delta_y /= (velocity * velocity)
+
+ return delta_y
diff --git a/src/sas/sascalc/calculator/sas_gen.py b/src/sas/sascalc/calculator/sas_gen.py
new file mode 100644
index 0000000..01350de
--- /dev/null
+++ b/src/sas/sascalc/calculator/sas_gen.py
@@ -0,0 +1,1112 @@
+# pylint: disable=invalid-name
+"""
+SAS generic computation and sld file readers
+"""
+import sas.sascalc.calculator.core.sld2i as mod
+from sas.sascalc.calculator.BaseComponent import BaseComponent
+from periodictable import formula
+from periodictable import nsf
+import numpy
+import os
+import copy
+import sys
+import logging
+
+MFACTOR_AM = 2.853E-12
+MFACTOR_MT = 2.3164E-9
+METER2ANG = 1.0E+10
+#Avogadro constant [1/mol]
+NA = 6.02214129e+23
+
+def mag2sld(mag, v_unit=None):
+ """
+ Convert magnetization to magnatic SLD
+ sldm = Dm * mag where Dm = gamma * classical elec. radius/(2*Bohr magneton)
+ Dm ~ 2.853E-12 [A^(-2)] ==> Shouldn't be 2.90636E-12 [A^(-2)]???
+ """
+ if v_unit == "A/m":
+ factor = MFACTOR_AM
+ elif v_unit == "mT":
+ factor = MFACTOR_MT
+ else:
+ raise ValueError, "Invalid valueunit"
+ sld_m = factor * mag
+ return sld_m
+
+def transform_center(pos_x, pos_y, pos_z):
+ """
+ re-center
+ :return: posx, posy, posz [arrays]
+ """
+ posx = pos_x - (min(pos_x) + max(pos_x)) / 2.0
+ posy = pos_y - (min(pos_y) + max(pos_y)) / 2.0
+ posz = pos_z - (min(pos_z) + max(pos_z)) / 2.0
+ return posx, posy, posz
+
+class GenSAS(BaseComponent):
+ """
+ Generic SAS computation Model based on sld (n & m) arrays
+ """
+ def __init__(self):
+ """
+ Init
+ :Params sld_data: MagSLD object
+ """
+ # Initialize BaseComponent
+ BaseComponent.__init__(self)
+ self.sld_data = None
+ self.data_pos_unit = None
+ self.data_x = None
+ self.data_y = None
+ self.data_z = None
+ self.data_sldn = None
+ self.data_mx = None
+ self.data_my = None
+ self.data_mz = None
+ self.data_vol = None #[A^3]
+ self.is_avg = False
+ ## Name of the model
+ self.name = "GenSAS"
+ ## Define parameters
+ self.params = {}
+ self.params['scale'] = 1.0
+ self.params['background'] = 0.0
+ self.params['solvent_SLD'] = 0.0
+ self.params['total_volume'] = 1.0
+ self.params['Up_frac_in'] = 1.0
+ self.params['Up_frac_out'] = 1.0
+ self.params['Up_theta'] = 0.0
+ self.description = 'GenSAS'
+ ## Parameter details [units, min, max]
+ self.details = {}
+ self.details['scale'] = ['', 0.0, numpy.inf]
+ self.details['background'] = ['[1/cm]', 0.0, numpy.inf]
+ self.details['solvent_SLD'] = ['1/A^(2)', -numpy.inf, numpy.inf]
+ self.details['total_volume'] = ['A^(3)', 0.0, numpy.inf]
+ self.details['Up_frac_in'] = ['[u/(u+d)]', 0.0, 1.0]
+ self.details['Up_frac_out'] = ['[u/(u+d)]', 0.0, 1.0]
+ self.details['Up_theta'] = ['[deg]', -numpy.inf, numpy.inf]
+ # fixed parameters
+ self.fixed = []
+
+ def set_pixel_volumes(self, volume):
+ """
+ Set the volume of a pixel in (A^3) unit
+ :Param volume: pixel volume [float]
+ """
+ if self.data_vol == None:
+ raise
+ self.data_vol = volume
+
+ def set_is_avg(self, is_avg=False):
+ """
+ Sets is_avg: [bool]
+ """
+ self.is_avg = is_avg
+
+ def _gen(self, x, y, i):
+ """
+ Evaluate the function
+ :Param x: array of x-values
+ :Param y: array of y-values
+ :Param i: array of initial i-value
+ :return: function value
+ """
+ pos_x = self.data_x
+ pos_y = self.data_y
+ pos_z = self.data_z
+ len_x = len(pos_x)
+ if self.is_avg == None:
+ len_x *= -1
+ pos_x, pos_y, pos_z = transform_center(pos_x, pos_y, pos_z)
+ len_q = len(x)
+ sldn = copy.deepcopy(self.data_sldn)
+ sldn -= self.params['solvent_SLD']
+ model = mod.new_GenI(len_x, pos_x, pos_y, pos_z,
+ sldn, self.data_mx, self.data_my,
+ self.data_mz, self.data_vol,
+ self.params['Up_frac_in'],
+ self.params['Up_frac_out'],
+ self.params['Up_theta'])
+ if y == []:
+ mod.genicom(model, len_q, x, i)
+ else:
+ mod.genicomXY(model, len_q, x, y, i)
+ vol_correction = self.data_total_volume / self.params['total_volume']
+ return self.params['scale'] * vol_correction * i + \
+ self.params['background']
+
+ def set_sld_data(self, sld_data=None):
+ """
+ Sets sld_data
+ """
+ self.sld_data = sld_data
+ self.data_pos_unit = sld_data.pos_unit
+ self.data_x = sld_data.pos_x
+ self.data_y = sld_data.pos_y
+ self.data_z = sld_data.pos_z
+ self.data_sldn = sld_data.sld_n
+ self.data_mx = sld_data.sld_mx
+ self.data_my = sld_data.sld_my
+ self.data_mz = sld_data.sld_mz
+ self.data_vol = sld_data.vol_pix
+ self.data_total_volume = sum(sld_data.vol_pix)
+ self.params['total_volume'] = sum(sld_data.vol_pix)
+
+ def getProfile(self):
+ """
+ Get SLD profile
+ : return: sld_data
+ """
+ return self.sld_data
+
+ def run(self, x=0.0):
+ """
+ Evaluate the model
+ :param x: simple value
+ :return: (I value)
+ """
+ if x.__class__.__name__ == 'list':
+ if len(x[1]) > 0:
+ msg = "Not a 1D."
+ raise ValueError, msg
+ i_out = numpy.zeros_like(x[0])
+ # 1D I is found at y =0 in the 2D pattern
+ out = self._gen(x[0], [], i_out)
+ return out
+ else:
+ msg = "Q must be given as list of qx's and qy's"
+ raise ValueError, msg
+
+ def runXY(self, x=0.0):
+ """
+ Evaluate the model
+ :param x: simple value
+ :return: I value
+ :Use this runXY() for the computation
+ """
+ if x.__class__.__name__ == 'list':
+ i_out = numpy.zeros_like(x[0])
+ out = self._gen(x[0], x[1], i_out)
+ return out
+ else:
+ msg = "Q must be given as list of qx's and qy's"
+ raise ValueError, msg
+
+ def evalDistribution(self, qdist):
+ """
+ Evaluate a distribution of q-values.
+
+ :param qdist: ndarray of scalar q-values (for 1D) or list [qx,qy]
+ where qx,qy are 1D ndarrays (for 2D).
+ """
+ if qdist.__class__.__name__ == 'list':
+ if len(qdist[1]) < 1:
+ out = self.run(qdist)
+ else:
+ out = self.runXY(qdist)
+ return out
+ else:
+ mesg = "evalDistribution is expecting an ndarray of "
+ mesg += "a list [qx,qy] where qx,qy are arrays."
+ raise RuntimeError, mesg
+
+class OMF2SLD(object):
+ """
+ Convert OMFData to MAgData
+ """
+ def __init__(self):
+ """
+ Init
+ """
+ self.pos_x = None
+ self.pos_y = None
+ self.pos_z = None
+ self.mx = None
+ self.my = None
+ self.mz = None
+ self.sld_n = None
+ self.vol_pix = None
+ self.output = None
+ self.omfdata = None
+
+ def set_data(self, omfdata, shape='rectangular'):
+ """
+ Set all data
+ """
+ self.omfdata = omfdata
+ length = int(omfdata.xnodes * omfdata.ynodes * omfdata.znodes)
+ pos_x = numpy.arange(omfdata.xmin,
+ omfdata.xnodes*omfdata.xstepsize + omfdata.xmin,
+ omfdata.xstepsize)
+ pos_y = numpy.arange(omfdata.ymin,
+ omfdata.ynodes*omfdata.ystepsize + omfdata.ymin,
+ omfdata.ystepsize)
+ pos_z = numpy.arange(omfdata.zmin,
+ omfdata.znodes*omfdata.zstepsize + omfdata.zmin,
+ omfdata.zstepsize)
+ self.pos_x = numpy.tile(pos_x, int(omfdata.ynodes * omfdata.znodes))
+ self.pos_y = pos_y.repeat(int(omfdata.xnodes))
+ self.pos_y = numpy.tile(self.pos_y, int(omfdata.znodes))
+ self.pos_z = pos_z.repeat(int(omfdata.xnodes * omfdata.ynodes))
+ self.mx = omfdata.mx
+ self.my = omfdata.my
+ self.mz = omfdata.mz
+ self.sld_n = numpy.zeros(length)
+
+ if omfdata.mx == None:
+ self.mx = numpy.zeros(length)
+ if omfdata.my == None:
+ self.my = numpy.zeros(length)
+ if omfdata.mz == None:
+ self.mz = numpy.zeros(length)
+
+ self._check_data_length(length)
+ self.remove_null_points(False, False)
+ mask = numpy.ones(len(self.sld_n), dtype=bool)
+ if shape.lower() == 'ellipsoid':
+ try:
+ # Pixel (step) size included
+ x_c = max(self.pos_x) + min(self.pos_x)
+ y_c = max(self.pos_y) + min(self.pos_y)
+ z_c = max(self.pos_z) + min(self.pos_z)
+ x_d = max(self.pos_x) - min(self.pos_x)
+ y_d = max(self.pos_y) - min(self.pos_y)
+ z_d = max(self.pos_z) - min(self.pos_z)
+ x_r = (x_d + omfdata.xstepsize) / 2.0
+ y_r = (y_d + omfdata.ystepsize) / 2.0
+ z_r = (z_d + omfdata.zstepsize) / 2.0
+ x_dir2 = ((self.pos_x - x_c / 2.0) / x_r)
+ x_dir2 *= x_dir2
+ y_dir2 = ((self.pos_y - y_c / 2.0) / y_r)
+ y_dir2 *= y_dir2
+ z_dir2 = ((self.pos_z - z_c / 2.0) / z_r)
+ z_dir2 *= z_dir2
+ mask = (x_dir2 + y_dir2 + z_dir2) <= 1.0
+ except:
+ logging.error(sys.exc_value)
+ self.output = MagSLD(self.pos_x[mask], self.pos_y[mask],
+ self.pos_z[mask], self.sld_n[mask],
+ self.mx[mask], self.my[mask], self.mz[mask])
+ self.output.set_pix_type('pixel')
+ self.output.set_pixel_symbols('pixel')
+
+ def get_omfdata(self):
+ """
+ Return all data
+ """
+ return self.omfdata
+
+ def get_output(self):
+ """
+ Return output
+ """
+ return self.output
+
+ def _check_data_length(self, length):
+ """
+ Check if the data lengths are consistent
+ :Params length: data length
+ """
+ msg = "Error: Inconsistent data length."
+ if len(self.pos_x) != length:
+ raise ValueError, msg
+ if len(self.pos_y) != length:
+ raise ValueError, msg
+ if len(self.pos_z) != length:
+ raise ValueError, msg
+ if len(self.mx) != length:
+ raise ValueError, msg
+ if len(self.my) != length:
+ raise ValueError, msg
+ if len(self.mz) != length:
+ raise ValueError, msg
+
+ def remove_null_points(self, remove=False, recenter=False):
+ """
+ Removes any mx, my, and mz = 0 points
+ """
+ if remove:
+ is_nonzero = (numpy.fabs(self.mx) + numpy.fabs(self.my) +
+ numpy.fabs(self.mz)).nonzero()
+ if len(is_nonzero[0]) > 0:
+ self.pos_x = self.pos_x[is_nonzero]
+ self.pos_y = self.pos_y[is_nonzero]
+ self.pos_z = self.pos_z[is_nonzero]
+ self.sld_n = self.sld_n[is_nonzero]
+ self.mx = self.mx[is_nonzero]
+ self.my = self.my[is_nonzero]
+ self.mz = self.mz[is_nonzero]
+ if recenter:
+ self.pos_x -= (min(self.pos_x) + max(self.pos_x)) / 2.0
+ self.pos_y -= (min(self.pos_y) + max(self.pos_y)) / 2.0
+ self.pos_z -= (min(self.pos_z) + max(self.pos_z)) / 2.0
+
+ def get_magsld(self):
+ """
+ return MagSLD
+ """
+ return self.output
+
+
+class OMFReader(object):
+ """
+ Class to load omf/ascii files (3 columns w/header).
+ """
+ ## File type
+ type_name = "OMF ASCII"
+
+ ## Wildcards
+ type = ["OMF files (*.OMF, *.omf)|*.omf"]
+ ## List of allowed extensions
+ ext = ['.omf', '.OMF']
+
+ def read(self, path):
+ """
+ Load data file
+ :param path: file path
+ :return: x, y, z, sld_n, sld_mx, sld_my, sld_mz
+ """
+ desc = ""
+ mx = numpy.zeros(0)
+ my = numpy.zeros(0)
+ mz = numpy.zeros(0)
+ try:
+ input_f = open(path, 'rb')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ input_f.close()
+ output = OMFData()
+ valueunit = None
+ for line in lines:
+ toks = line.split()
+ # Read data
+ try:
+ _mx = float(toks[0])
+ _my = float(toks[1])
+ _mz = float(toks[2])
+ _mx = mag2sld(_mx, valueunit)
+ _my = mag2sld(_my, valueunit)
+ _mz = mag2sld(_mz, valueunit)
+ mx = numpy.append(mx, _mx)
+ my = numpy.append(my, _my)
+ mz = numpy.append(mz, _mz)
+ except:
+ # Skip non-data lines
+ logging.error(sys.exc_value)
+ #Reading Header; Segment count ignored
+ s_line = line.split(":", 1)
+ if s_line[0].lower().count("oommf") > 0:
+ oommf = s_line[1].lstrip()
+ if s_line[0].lower().count("title") > 0:
+ title = s_line[1].lstrip()
+ if s_line[0].lower().count("desc") > 0:
+ desc += s_line[1].lstrip()
+ desc += '\n'
+ if s_line[0].lower().count("meshtype") > 0:
+ meshtype = s_line[1].lstrip()
+ if s_line[0].lower().count("meshunit") > 0:
+ meshunit = s_line[1].lstrip()
+ if meshunit.count("m") < 1:
+ msg = "Error: \n"
+ msg += "We accept only m as meshunit"
+ raise ValueError, msg
+ if s_line[0].lower().count("xbase") > 0:
+ xbase = s_line[1].lstrip()
+ if s_line[0].lower().count("ybase") > 0:
+ ybase = s_line[1].lstrip()
+ if s_line[0].lower().count("zbase") > 0:
+ zbase = s_line[1].lstrip()
+ if s_line[0].lower().count("xstepsize") > 0:
+ xstepsize = s_line[1].lstrip()
+ if s_line[0].lower().count("ystepsize") > 0:
+ ystepsize = s_line[1].lstrip()
+ if s_line[0].lower().count("zstepsize") > 0:
+ zstepsize = s_line[1].lstrip()
+ if s_line[0].lower().count("xnodes") > 0:
+ xnodes = s_line[1].lstrip()
+ if s_line[0].lower().count("ynodes") > 0:
+ ynodes = s_line[1].lstrip()
+ if s_line[0].lower().count("znodes") > 0:
+ znodes = s_line[1].lstrip()
+ if s_line[0].lower().count("xmin") > 0:
+ xmin = s_line[1].lstrip()
+ if s_line[0].lower().count("ymin") > 0:
+ ymin = s_line[1].lstrip()
+ if s_line[0].lower().count("zmin") > 0:
+ zmin = s_line[1].lstrip()
+ if s_line[0].lower().count("xmax") > 0:
+ xmax = s_line[1].lstrip()
+ if s_line[0].lower().count("ymax") > 0:
+ ymax = s_line[1].lstrip()
+ if s_line[0].lower().count("zmax") > 0:
+ zmax = s_line[1].lstrip()
+ if s_line[0].lower().count("valueunit") > 0:
+ valueunit = s_line[1].lstrip().rstrip()
+ if s_line[0].lower().count("valuemultiplier") > 0:
+ valuemultiplier = s_line[1].lstrip()
+ if s_line[0].lower().count("valuerangeminmag") > 0:
+ valuerangeminmag = s_line[1].lstrip()
+ if s_line[0].lower().count("valuerangemaxmag") > 0:
+ valuerangemaxmag = s_line[1].lstrip()
+ if s_line[0].lower().count("end") > 0:
+ output.filename = os.path.basename(path)
+ output.oommf = oommf
+ output.title = title
+ output.desc = desc
+ output.meshtype = meshtype
+ output.xbase = float(xbase) * METER2ANG
+ output.ybase = float(ybase) * METER2ANG
+ output.zbase = float(zbase) * METER2ANG
+ output.xstepsize = float(xstepsize) * METER2ANG
+ output.ystepsize = float(ystepsize) * METER2ANG
+ output.zstepsize = float(zstepsize) * METER2ANG
+ output.xnodes = float(xnodes)
+ output.ynodes = float(ynodes)
+ output.znodes = float(znodes)
+ output.xmin = float(xmin) * METER2ANG
+ output.ymin = float(ymin) * METER2ANG
+ output.zmin = float(zmin) * METER2ANG
+ output.xmax = float(xmax) * METER2ANG
+ output.ymax = float(ymax) * METER2ANG
+ output.zmax = float(zmax) * METER2ANG
+ output.valuemultiplier = valuemultiplier
+ output.valuerangeminmag = mag2sld(float(valuerangeminmag), \
+ valueunit)
+ output.valuerangemaxmag = mag2sld(float(valuerangemaxmag), \
+ valueunit)
+ output.set_m(mx, my, mz)
+ return output
+ except:
+ msg = "%s is not supported: \n" % path
+ msg += "We accept only Text format OMF file."
+ raise RuntimeError, msg
+
+class PDBReader(object):
+ """
+ PDB reader class: limited for reading the lines starting with 'ATOM'
+ """
+ type_name = "PDB"
+ ## Wildcards
+ type = ["pdb files (*.PDB, *.pdb)|*.pdb"]
+ ## List of allowed extensions
+ ext = ['.pdb', '.PDB']
+
+ def read(self, path):
+ """
+ Load data file
+
+ :param path: file path
+ :return: MagSLD
+ :raise RuntimeError: when the file can't be opened
+ """
+ pos_x = numpy.zeros(0)
+ pos_y = numpy.zeros(0)
+ pos_z = numpy.zeros(0)
+ sld_n = numpy.zeros(0)
+ sld_mx = numpy.zeros(0)
+ sld_my = numpy.zeros(0)
+ sld_mz = numpy.zeros(0)
+ vol_pix = numpy.zeros(0)
+ pix_symbol = numpy.zeros(0)
+ x_line = []
+ y_line = []
+ z_line = []
+ x_lines = []
+ y_lines = []
+ z_lines = []
+ try:
+ input_f = open(path, 'rb')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ input_f.close()
+ num = 0
+ for line in lines:
+ try:
+ # check if line starts with "ATOM"
+ if line[0:6].strip().count('ATM') > 0 or \
+ line[0:6].strip() == 'ATOM':
+ # define fields of interest
+ atom_name = line[12:16].strip()
+ try:
+ float(line[12])
+ atom_name = atom_name[1].upper()
+ except:
+ if len(atom_name) == 4:
+ atom_name = atom_name[0].upper()
+ elif line[12] != ' ':
+ atom_name = atom_name[0].upper() + \
+ atom_name[1].lower()
+ else:
+ atom_name = atom_name[0].upper()
+ _pos_x = float(line[30:38].strip())
+ _pos_y = float(line[38:46].strip())
+ _pos_z = float(line[46:54].strip())
+ pos_x = numpy.append(pos_x, _pos_x)
+ pos_y = numpy.append(pos_y, _pos_y)
+ pos_z = numpy.append(pos_z, _pos_z)
+ try:
+ val = nsf.neutron_sld(atom_name)[0]
+ # sld in Ang^-2 unit
+ val *= 1.0e-6
+ sld_n = numpy.append(sld_n, val)
+ atom = formula(atom_name)
+ # cm to A units
+ vol = 1.0e+24 * atom.mass / atom.density / NA
+ vol_pix = numpy.append(vol_pix, vol)
+ except:
+ print "Error: set the sld of %s to zero"% atom_name
+ sld_n = numpy.append(sld_n, 0.0)
+ sld_mx = numpy.append(sld_mx, 0)
+ sld_my = numpy.append(sld_my, 0)
+ sld_mz = numpy.append(sld_mz, 0)
+ pix_symbol = numpy.append(pix_symbol, atom_name)
+ elif line[0:6].strip().count('CONECT') > 0:
+ toks = line.split()
+ num = int(toks[1]) - 1
+ val_list = []
+ for val in toks[2:]:
+ try:
+ int_val = int(val)
+ except:
+ break
+ if int_val == 0:
+ break
+ val_list.append(int_val)
+ #need val_list ordered
+ for val in val_list:
+ index = val - 1
+ if (pos_x[index], pos_x[num]) in x_line and \
+ (pos_y[index], pos_y[num]) in y_line and \
+ (pos_z[index], pos_z[num]) in z_line:
+ continue
+ x_line.append((pos_x[num], pos_x[index]))
+ y_line.append((pos_y[num], pos_y[index]))
+ z_line.append((pos_z[num], pos_z[index]))
+ if len(x_line) > 0:
+ x_lines.append(x_line)
+ y_lines.append(y_line)
+ z_lines.append(z_line)
+ except:
+ logging.error(sys.exc_value)
+
+ output = MagSLD(pos_x, pos_y, pos_z, sld_n, sld_mx, sld_my, sld_mz)
+ output.set_conect_lines(x_line, y_line, z_line)
+ output.filename = os.path.basename(path)
+ output.set_pix_type('atom')
+ output.set_pixel_symbols(pix_symbol)
+ output.set_nodes()
+ output.set_pixel_volumes(vol_pix)
+ output.sld_unit = '1/A^(2)'
+ return output
+ except:
+ raise RuntimeError, "%s is not a sld file" % path
+
+ def write(self, path, data):
+ """
+ Write
+ """
+ print "Not implemented... "
+
+class SLDReader(object):
+ """
+ Class to load ascii files (7 columns).
+ """
+ ## File type
+ type_name = "SLD ASCII"
+ ## Wildcards
+ type = ["sld files (*.SLD, *.sld)|*.sld",
+ "txt files (*.TXT, *.txt)|*.txt",
+ "all files (*.*)|*.*"]
+ ## List of allowed extensions
+ ext = ['.sld', '.SLD', '.txt', '.TXT', '.*']
+ def read(self, path):
+ """
+ Load data file
+ :param path: file path
+ :return MagSLD: x, y, z, sld_n, sld_mx, sld_my, sld_mz
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+ """
+ try:
+ pos_x = numpy.zeros(0)
+ pos_y = numpy.zeros(0)
+ pos_z = numpy.zeros(0)
+ sld_n = numpy.zeros(0)
+ sld_mx = numpy.zeros(0)
+ sld_my = numpy.zeros(0)
+ sld_mz = numpy.zeros(0)
+ try:
+ # Use numpy to speed up loading
+ input_f = numpy.loadtxt(path, dtype='float', skiprows=1,
+ ndmin=1, unpack=True)
+ pos_x = numpy.array(input_f[0])
+ pos_y = numpy.array(input_f[1])
+ pos_z = numpy.array(input_f[2])
+ sld_n = numpy.array(input_f[3])
+ sld_mx = numpy.array(input_f[4])
+ sld_my = numpy.array(input_f[5])
+ sld_mz = numpy.array(input_f[6])
+ ncols = len(input_f)
+ if ncols == 8:
+ vol_pix = numpy.array(input_f[7])
+ elif ncols == 7:
+ vol_pix = None
+ except:
+ # For older version of numpy
+ input_f = open(path, 'rb')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ input_f.close()
+ for line in lines:
+ toks = line.split()
+ try:
+ _pos_x = float(toks[0])
+ _pos_y = float(toks[1])
+ _pos_z = float(toks[2])
+ _sld_n = float(toks[3])
+ _sld_mx = float(toks[4])
+ _sld_my = float(toks[5])
+ _sld_mz = float(toks[6])
+ pos_x = numpy.append(pos_x, _pos_x)
+ pos_y = numpy.append(pos_y, _pos_y)
+ pos_z = numpy.append(pos_z, _pos_z)
+ sld_n = numpy.append(sld_n, _sld_n)
+ sld_mx = numpy.append(sld_mx, _sld_mx)
+ sld_my = numpy.append(sld_my, _sld_my)
+ sld_mz = numpy.append(sld_mz, _sld_mz)
+ try:
+ _vol_pix = float(toks[7])
+ vol_pix = numpy.append(vol_pix, _vol_pix)
+ except:
+ vol_pix = None
+ except:
+ # Skip non-data lines
+ logging.error(sys.exc_value)
+ output = MagSLD(pos_x, pos_y, pos_z, sld_n,
+ sld_mx, sld_my, sld_mz)
+ output.filename = os.path.basename(path)
+ output.set_pix_type('pixel')
+ output.set_pixel_symbols('pixel')
+ if vol_pix != None:
+ output.set_pixel_volumes(vol_pix)
+ return output
+ except:
+ raise RuntimeError, "%s is not a sld file" % path
+
+ def write(self, path, data):
+ """
+ Write sld file
+ :Param path: file path
+ :Param data: MagSLD data object
+ """
+ if path == None:
+ raise ValueError, "Missing the file path."
+ if data == None:
+ raise ValueError, "Missing the data to save."
+ x_val = data.pos_x
+ y_val = data.pos_y
+ z_val = data.pos_z
+ vol_pix = data.vol_pix
+ length = len(x_val)
+ sld_n = data.sld_n
+ if sld_n == None:
+ sld_n = numpy.zeros(length)
+ sld_mx = data.sld_mx
+ if sld_mx == None:
+ sld_mx = numpy.zeros(length)
+ sld_my = numpy.zeros(length)
+ sld_mz = numpy.zeros(length)
+ else:
+ sld_my = data.sld_my
+ sld_mz = data.sld_mz
+ out = open(path, 'w')
+ # First Line: Column names
+ out.write("X Y Z SLDN SLDMx SLDMy SLDMz VOLUMEpix")
+ for ind in range(length):
+ out.write("\n%g %g %g %g %g %g %g %g" % \
+ (x_val[ind], y_val[ind], z_val[ind], sld_n[ind],
+ sld_mx[ind], sld_my[ind], sld_mz[ind], vol_pix[ind]))
+ out.close()
+
+
+class OMFData(object):
+ """
+ OMF Data.
+ """
+ _meshunit = "A"
+ _valueunit = "A^(-2)"
+ def __init__(self):
+ """
+ Init for mag SLD
+ """
+ self.filename = 'default'
+ self.oommf = ''
+ self.title = ''
+ self.desc = ''
+ self.meshtype = ''
+ self.meshunit = self._meshunit
+ self.valueunit = self._valueunit
+ self.xbase = 0.0
+ self.ybase = 0.0
+ self.zbase = 0.0
+ self.xstepsize = 6.0
+ self.ystepsize = 6.0
+ self.zstepsize = 6.0
+ self.xnodes = 10.0
+ self.ynodes = 10.0
+ self.znodes = 10.0
+ self.xmin = 0.0
+ self.ymin = 0.0
+ self.zmin = 0.0
+ self.xmax = 60.0
+ self.ymax = 60.0
+ self.zmax = 60.0
+ self.mx = None
+ self.my = None
+ self.mz = None
+ self.valuemultiplier = 1.
+ self.valuerangeminmag = 0
+ self.valuerangemaxmag = 0
+
+ def __str__(self):
+ """
+ doc strings
+ """
+ _str = "Type: %s\n" % self.__class__.__name__
+ _str += "File: %s\n" % self.filename
+ _str += "OOMMF: %s\n" % self.oommf
+ _str += "Title: %s\n" % self.title
+ _str += "Desc: %s\n" % self.desc
+ _str += "meshtype: %s\n" % self.meshtype
+ _str += "meshunit: %s\n" % str(self.meshunit)
+ _str += "xbase: %s [%s]\n" % (str(self.xbase), self.meshunit)
+ _str += "ybase: %s [%s]\n" % (str(self.ybase), self.meshunit)
+ _str += "zbase: %s [%s]\n" % (str(self.zbase), self.meshunit)
+ _str += "xstepsize: %s [%s]\n" % (str(self.xstepsize),
+ self.meshunit)
+ _str += "ystepsize: %s [%s]\n" % (str(self.ystepsize),
+ self.meshunit)
+ _str += "zstepsize: %s [%s]\n" % (str(self.zstepsize),
+ self.meshunit)
+ _str += "xnodes: %s\n" % str(self.xnodes)
+ _str += "ynodes: %s\n" % str(self.ynodes)
+ _str += "znodes: %s\n" % str(self.znodes)
+ _str += "xmin: %s [%s]\n" % (str(self.xmin), self.meshunit)
+ _str += "ymin: %s [%s]\n" % (str(self.ymin), self.meshunit)
+ _str += "zmin: %s [%s]\n" % (str(self.zmin), self.meshunit)
+ _str += "xmax: %s [%s]\n" % (str(self.xmax), self.meshunit)
+ _str += "ymax: %s [%s]\n" % (str(self.ymax), self.meshunit)
+ _str += "zmax: %s [%s]\n" % (str(self.zmax), self.meshunit)
+ _str += "valueunit: %s\n" % self.valueunit
+ _str += "valuemultiplier: %s\n" % str(self.valuemultiplier)
+ _str += "ValueRangeMinMag:%s [%s]\n" % (str(self.valuerangeminmag),
+ self.valueunit)
+ _str += "ValueRangeMaxMag:%s [%s]\n" % (str(self.valuerangemaxmag),
+ self.valueunit)
+ return _str
+
+ def set_m(self, mx, my, mz):
+ """
+ Set the Mx, My, Mz values
+ """
+ self.mx = mx
+ self.my = my
+ self.mz = mz
+
+class MagSLD(object):
+ """
+ Magnetic SLD.
+ """
+ pos_x = None
+ pos_y = None
+ pos_z = None
+ sld_n = None
+ sld_mx = None
+ sld_my = None
+ sld_mz = None
+ # Units
+ _pos_unit = 'A'
+ _sld_unit = '1/A^(2)'
+ _pix_type = 'pixel'
+
+ def __init__(self, pos_x, pos_y, pos_z, sld_n=None,
+ sld_mx=None, sld_my=None, sld_mz=None, vol_pix=None):
+ """
+ Init for mag SLD
+ :params : All should be numpy 1D array
+ """
+ self.is_data = True
+ self.filename = ''
+ self.xstepsize = 6.0
+ self.ystepsize = 6.0
+ self.zstepsize = 6.0
+ self.xnodes = 10.0
+ self.ynodes = 10.0
+ self.znodes = 10.0
+ self.has_stepsize = False
+ self.has_conect = False
+ self.pos_unit = self._pos_unit
+ self.sld_unit = self._sld_unit
+ self.pix_type = 'pixel'
+ self.pos_x = pos_x
+ self.pos_y = pos_y
+ self.pos_z = pos_z
+ self.sld_n = sld_n
+ self.line_x = None
+ self.line_y = None
+ self.line_z = None
+ self.sld_mx = sld_mx
+ self.sld_my = sld_my
+ self.sld_mz = sld_mz
+ self.vol_pix = vol_pix
+ self.sld_m = None
+ self.sld_phi = None
+ self.sld_theta = None
+ self.pix_symbol = None
+ if sld_mx != None and sld_my != None and sld_mz != None:
+ self.set_sldms(sld_mx, sld_my, sld_mz)
+ self.set_nodes()
+
+ def __str__(self):
+ """
+ doc strings
+ """
+ _str = "Type: %s\n" % self.__class__.__name__
+ _str += "File: %s\n" % self.filename
+ _str += "Axis_unit: %s\n" % self.pos_unit
+ _str += "SLD_unit: %s\n" % self.sld_unit
+ return _str
+
+ def set_pix_type(self, pix_type):
+ """
+ Set pixel type
+ :Param pix_type: string, 'pixel' or 'atom'
+ """
+ self.pix_type = pix_type
+
+ def set_sldn(self, sld_n):
+ """
+ Sets neutron SLD
+ """
+ if sld_n.__class__.__name__ == 'float':
+ if self.is_data:
+ # For data, put the value to only the pixels w non-zero M
+ is_nonzero = (numpy.fabs(self.sld_mx) +
+ numpy.fabs(self.sld_my) +
+ numpy.fabs(self.sld_mz)).nonzero()
+ self.sld_n = numpy.zeros(len(self.pos_x))
+ if len(self.sld_n[is_nonzero]) > 0:
+ self.sld_n[is_nonzero] = sld_n
+ else:
+ self.sld_n.fill(sld_n)
+ else:
+ # For non-data, put the value to all the pixels
+ self.sld_n = numpy.ones(len(self.pos_x)) * sld_n
+ else:
+ self.sld_n = sld_n
+
+ def set_sldms(self, sld_mx, sld_my, sld_mz):
+ r"""
+ Sets (\|m\|, m_theta, m_phi)
+ """
+ if sld_mx.__class__.__name__ == 'float':
+ self.sld_mx = numpy.ones(len(self.pos_x)) * sld_mx
+ else:
+ self.sld_mx = sld_mx
+ if sld_my.__class__.__name__ == 'float':
+ self.sld_my = numpy.ones(len(self.pos_x)) * sld_my
+ else:
+ self.sld_my = sld_my
+ if sld_mz.__class__.__name__ == 'float':
+ self.sld_mz = numpy.ones(len(self.pos_x)) * sld_mz
+ else:
+ self.sld_mz = sld_mz
+
+ sld_m = numpy.sqrt(sld_mx * sld_mx + sld_my * sld_my + \
+ sld_mz * sld_mz)
+ self.sld_m = sld_m
+
+ def set_pixel_symbols(self, symbol='pixel'):
+ """
+ Set pixel
+ :Params pixel: str; pixel or atomic symbol, or array of strings
+ """
+ if self.sld_n == None:
+ return
+ if symbol.__class__.__name__ == 'str':
+ self.pix_symbol = numpy.repeat(symbol, len(self.sld_n))
+ else:
+ self.pix_symbol = symbol
+
+ def set_pixel_volumes(self, vol):
+ """
+ Set pixel volumes
+ :Params pixel: str; pixel or atomic symbol, or array of strings
+ """
+ if self.sld_n == None:
+ return
+ if vol.__class__.__name__ == 'ndarray':
+ self.vol_pix = vol
+ elif vol.__class__.__name__.count('float') > 0:
+ self.vol_pix = numpy.repeat(vol, len(self.sld_n))
+ else:
+ self.vol_pix = None
+
+ def get_sldn(self):
+ """
+ Returns nuclear sld
+ """
+ return self.sld_n
+
+ def set_nodes(self):
+ """
+ Set xnodes, ynodes, and znodes
+ """
+ self.set_stepsize()
+ if self.pix_type == 'pixel':
+ try:
+ xdist = (max(self.pos_x) - min(self.pos_x)) / self.xstepsize
+ ydist = (max(self.pos_y) - min(self.pos_y)) / self.ystepsize
+ zdist = (max(self.pos_z) - min(self.pos_z)) / self.zstepsize
+ self.xnodes = int(xdist) + 1
+ self.ynodes = int(ydist) + 1
+ self.znodes = int(zdist) + 1
+ except:
+ self.xnodes = None
+ self.ynodes = None
+ self.znodes = None
+ else:
+ self.xnodes = None
+ self.ynodes = None
+ self.znodes = None
+
+ def set_stepsize(self):
+ """
+ Set xtepsize, ystepsize, and zstepsize
+ """
+ if self.pix_type == 'pixel':
+ try:
+ xpos_pre = self.pos_x[0]
+ ypos_pre = self.pos_y[0]
+ zpos_pre = self.pos_z[0]
+ for x_pos in self.pos_x:
+ if xpos_pre != x_pos:
+ self.xstepsize = numpy.fabs(x_pos - xpos_pre)
+ break
+ for y_pos in self.pos_y:
+ if ypos_pre != y_pos:
+ self.ystepsize = numpy.fabs(y_pos - ypos_pre)
+ break
+ for z_pos in self.pos_z:
+ if zpos_pre != z_pos:
+ self.zstepsize = numpy.fabs(z_pos - zpos_pre)
+ break
+ #default pix volume
+ self.vol_pix = numpy.ones(len(self.pos_x))
+ vol = self.xstepsize * self.ystepsize * self.zstepsize
+ self.set_pixel_volumes(vol)
+ self.has_stepsize = True
+ except:
+ self.xstepsize = None
+ self.ystepsize = None
+ self.zstepsize = None
+ self.vol_pix = None
+ self.has_stepsize = False
+ else:
+ self.xstepsize = None
+ self.ystepsize = None
+ self.zstepsize = None
+ self.has_stepsize = True
+ return self.xstepsize, self.ystepsize, self.zstepsize
+
+ def set_conect_lines(self, line_x, line_y, line_z):
+ """
+ Set bonding line data if taken from pdb
+ """
+ if line_x.__class__.__name__ != 'list' or len(line_x) < 1:
+ return
+ if line_y.__class__.__name__ != 'list' or len(line_y) < 1:
+ return
+ if line_z.__class__.__name__ != 'list' or len(line_z) < 1:
+ return
+ self.has_conect = True
+ self.line_x = line_x
+ self.line_y = line_y
+ self.line_z = line_z
+
+def test_load():
+ """
+ Test code
+ """
+ from mpl_toolkits.mplot3d import Axes3D
+ current_dir = os.path.abspath(os.path.curdir)
+ print current_dir
+ for i in range(6):
+ current_dir, _ = os.path.split(current_dir)
+ tfile = os.path.join(current_dir, "test", "CoreXY_ShellZ.txt")
+ ofile = os.path.join(current_dir, "test", "A_Raw_Example-1.omf")
+ if os.path.isfile(tfile):
+ tfpath = tfile
+ ofpath = ofile
+ break
+ reader = SLDReader()
+ oreader = OMFReader()
+ output = reader.read(tfpath)
+ ooutput = oreader.read(ofpath)
+ foutput = OMF2SLD()
+ foutput.set_data(ooutput)
+
+ import matplotlib.pyplot as plt
+ fig = plt.figure()
+ ax = Axes3D(fig)
+ ax.plot(output.pos_x, output.pos_y, output.pos_z, '.', c="g",
+ alpha=0.7, markeredgecolor='gray', rasterized=True)
+ gap = 7
+ max_mx = max(output.sld_mx)
+ max_my = max(output.sld_my)
+ max_mz = max(output.sld_mz)
+ max_m = max(max_mx, max_my, max_mz)
+ x2 = output.pos_x+output.sld_mx/max_m * gap
+ y2 = output.pos_y+output.sld_my/max_m * gap
+ z2 = output.pos_z+output.sld_mz/max_m * gap
+ x_arrow = numpy.column_stack((output.pos_x, x2))
+ y_arrow = numpy.column_stack((output.pos_y, y2))
+ z_arrow = numpy.column_stack((output.pos_z, z2))
+ unit_x2 = output.sld_mx / max_m
+ unit_y2 = output.sld_my / max_m
+ unit_z2 = output.sld_mz / max_m
+ color_x = numpy.fabs(unit_x2 * 0.8)
+ color_y = numpy.fabs(unit_y2 * 0.8)
+ color_z = numpy.fabs(unit_z2 * 0.8)
+ colors = numpy.column_stack((color_x, color_y, color_z))
+ plt.show()
+
+def test():
+ """
+ Test code
+ """
+ current_dir = os.path.abspath(os.path.curdir)
+ for i in range(3):
+ current_dir, _ = os.path.split(current_dir)
+ ofile = os.path.join(current_dir, "test", "A_Raw_Example-1.omf")
+ if os.path.isfile(ofile):
+ ofpath = ofile
+ break
+ oreader = OMFReader()
+ ooutput = oreader.read(ofpath)
+ foutput = OMF2SLD()
+ foutput.set_data(ooutput)
+ writer = SLDReader()
+ writer.write(os.path.join(os.path.dirname(ofpath), "out.txt"),
+ foutput.output)
+ model = GenSAS()
+ model.set_sld_data(foutput.output)
+ x = numpy.arange(1000)/10000. + 1e-5
+ y = numpy.arange(1000)/10000. + 1e-5
+ i = numpy.zeros(1000)
+ model.runXY([x, y, i])
+
+if __name__ == "__main__":
+ test()
+ test_load()
diff --git a/src/sas/sascalc/calculator/slit_length_calculator.py b/src/sas/sascalc/calculator/slit_length_calculator.py
new file mode 100644
index 0000000..649fbff
--- /dev/null
+++ b/src/sas/sascalc/calculator/slit_length_calculator.py
@@ -0,0 +1,108 @@
+"""
+This module is a small tool to allow user to quickly
+determine the slit length value of data.
+"""
+
+
+class SlitlengthCalculator(object):
+ """
+ compute slit length from SAXSess beam profile (1st col. Q , 2nd col. I ,
+ and 3rd col. dI.: don't need the 3rd)
+ """
+ def __init__(self):
+
+ # x data
+ self.x = None
+ # y data
+ self.y = None
+ # default slit length
+ self.slit_length = 0.0
+
+ # The unit is unknown from SAXSess profile:
+ # It seems 1/nm but it could be not fixed,
+ # so users should be notified to determine the unit by themselves.
+ self.slit_length_unit = "unknown"
+
+ def set_data(self, x=None, y=None):
+ """
+ Receive two vector x, y and prepare the slit calculator for
+ computation.
+
+ :param x: array
+ :param y: array
+ """
+ self.x = x
+ self.y = y
+
+ def calculate_slit_length(self):
+ """
+ Calculate slit length.
+
+ :return: the slit length calculated value.
+ """
+ # None data do nothing
+ if self.y is None or self.x is None:
+ return
+ # set local variable
+ y = self.y
+ x = self.x
+
+ # find max y
+ max_y = y.max()
+
+ # initial values
+ y_sum = 0.0
+ y_max = 0.0
+ ind = 0
+
+ # sum 10 or more y values until getting max_y,
+ while True:
+ if ind >= 10 and y_max == max_y:
+ break
+ y_sum = y_sum + y[ind]
+ if y[ind] > y_max:
+ y_max = y[ind]
+ ind += 1
+
+ # find the average value/2 of the top values
+ y_half = y_sum/(2.0*ind)
+
+ # defaults
+ y_half_d = 0.0
+ ind = 0
+ # find indices where it crosses y = y_half.
+ while True:
+ # no need to check when ind == 0
+ ind += 1
+ # y value and ind just after passed the spot of the half height
+ y_half_d = y[ind]
+ if y[ind] < y_half:
+ break
+
+ # y value and ind just before passed the spot of the half height
+ y_half_u = y[ind - 1]
+
+ # get corresponding x values
+ x_half_d = x[ind]
+ x_half_u = x[ind - 1]
+
+ # calculate x at y = y_half using linear interpolation
+ if y_half_u == y_half_d:
+ x_half = (x_half_d + x_half_u)/2.0
+ else:
+ x_half = ((x_half_u * (y_half - y_half_d)
+ + x_half_d * (y_half_u - y_half))
+ / (y_half_u - y_half_d))
+
+ # Our slit length is half width, so just give half beam value
+ slit_length = x_half
+
+ # set slit_length
+ self.slit_length = slit_length
+ return self.slit_length
+
+ def get_slit_length_unit(self):
+ """
+ :return: the slit length unit.
+ """
+ return self.slit_length_unit
diff --git a/src/sas/sascalc/corfunc/__init__.py b/src/sas/sascalc/corfunc/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/corfunc/corfunc_calculator.py b/src/sas/sascalc/corfunc/corfunc_calculator.py
new file mode 100644
index 0000000..90522af
--- /dev/null
+++ b/src/sas/sascalc/corfunc/corfunc_calculator.py
@@ -0,0 +1,275 @@
+"""
+This module implements corfunc
+"""
+import warnings
+import numpy as np
+from scipy.optimize import curve_fit
+from scipy.interpolate import interp1d
+from scipy.fftpack import dct
+from scipy.signal import argrelextrema
+from numpy.linalg import lstsq
+from sas.sascalc.dataloader.data_info import Data1D
+from sas.sascalc.corfunc.transform_thread import FourierThread
+from sas.sascalc.corfunc.transform_thread import HilbertThread
+
+class CorfuncCalculator(object):
+
+ class _Interpolator(object):
+ """
+ Interpolates between curve f and curve g over the range start:stop and
+ caches the result of the function when it's called
+
+ :param f: The first curve to interpolate
+ :param g: The second curve to interpolate
+ :param start: The value at which to start the interpolation
+ :param stop: The value at which to stop the interpolation
+ """
+ def __init__(self, f, g, start, stop):
+ self.f = f
+ self.g = g
+ self.start = start
+ self.stop = stop
+ self._lastx = []
+ self._lasty = []
+
+ def __call__(self, x):
+ if self._lastx == [] or x.tolist() != self._lastx.tolist():
+ self._lasty = self._smoothed_function(x)
+ self._lastx = x
+ return self._lasty
+
+ def _smoothed_function(self,x):
+ ys = np.zeros(x.shape)
+ ys[x <= self.start] = self.f(x[x <= self.start])
+ ys[x >= self.stop] = self.g(x[x >= self.stop])
+ with warnings.catch_warnings():
+ # Ignore divide by zero error
+ warnings.simplefilter('ignore')
+ h = 1/(1+(x-self.stop)**2/(self.start-x)**2)
+ mask = np.logical_and(x > self.start, x < self.stop)
+ ys[mask] = h[mask]*self.g(x[mask])+(1-h[mask])*self.f(x[mask])
+ return ys
+
+
+ def __init__(self, data=None, lowerq=None, upperq=None, scale=1):
+ """
+ Initialize the class.
+
+ :param data: Data of the type DataLoader.Data1D
+ :param lowerq: The Q value to use as the boundary for
+ Guinier extrapolation
+ :param upperq: A tuple of the form (lower, upper).
+ Values between lower and upper will be used for Porod extrapolation
+ :param scale: Scaling factor for I(q)
+ """
+ self._data = None
+ self.set_data(data, scale)
+ self.lowerq = lowerq
+ self.upperq = upperq
+ self.background = self.compute_background()
+ self._transform_thread = None
+
+ def set_data(self, data, scale=1):
+ """
+ Prepares the data for analysis
+
+ :return: new_data = data * scale - background
+ """
+ if data is None:
+ return
+ # Only process data of the class Data1D
+ if not issubclass(data.__class__, Data1D):
+ raise ValueError, "Data must be of the type DataLoader.Data1D"
+
+ # Prepare the data
+ new_data = Data1D(x=data.x, y=data.y)
+ new_data *= scale
+
+ # Ensure the errors are set correctly
+ if new_data.dy is None or len(new_data.x) != len(new_data.dy) or \
+ (min(new_data.dy) == 0 and max(new_data.dy) == 0):
+ new_data.dy = np.ones(len(new_data.x))
+
+ self._data = new_data
+
+ def compute_background(self, upperq=None):
+ """
+ Compute the background level from the Porod region of the data
+ """
+ if self._data is None: return 0
+ elif upperq is None and self.upperq is not None: upperq = self.upperq
+ elif upperq is None and self.upperq is None: return 0
+ q = self._data.x
+ mask = np.logical_and(q > upperq[0], q < upperq[1])
+ _, _, bg = self._fit_porod(q[mask], self._data.y[mask])
+
+ return bg
+
+ def compute_extrapolation(self):
+ """
+ Extrapolate and interpolate scattering data
+
+ :return: The extrapolated data
+ """
+ q = self._data.x
+ iq = self._data.y
+
+ params, s2 = self._fit_data(q, iq)
+ qs = np.arange(0, q[-1]*100, (q[1]-q[0]))
+ iqs = s2(qs)
+
+ extrapolation = Data1D(qs, iqs)
+
+ return params, extrapolation
+
+ def compute_transform(self, extrapolation, trans_type, background=None,
+ completefn=None, updatefn=None):
+ """
+ Transform an extrapolated scattering curve into a correlation function.
+
+ :param extrapolation: The extrapolated data
+ :param background: The background value (if not provided, previously
+ calculated value will be used)
+ :param completefn: The function to call when the transform calculation
+ is complete`
+ :param updatefn: The function to call to update the GUI with the status
+ of the transform calculation
+ :return: The transformed data
+ """
+ if self._transform_thread is not None:
+ if self._transform_thread.isrunning(): return
+
+ if background is None: background = self.background
+
+ if trans_type == 'fourier':
+ self._transform_thread = FourierThread(self._data, extrapolation,
+ background, completefn=completefn, updatefn=updatefn)
+ elif trans_type == 'hilbert':
+ self._transform_thread = HilbertThread(self._data, extrapolation,
+ background, completefn=completefn, updatefn=updatefn)
+ else:
+ err = ("Incorrect transform type supplied, must be 'fourier'",
+ " or 'hilbert'")
+ raise ValueError, err
+
+ self._transform_thread.queue()
+
+ def transform_isrunning(self):
+ if self._transform_thread is None: return False
+ return self._transform_thread.isrunning()
+
+ def stop_transform(self):
+ if self._transform_thread.isrunning():
+ self._transform_thread.stop()
+
+ def extract_parameters(self, transformed_data):
+ """
+ Extract the interesting measurements from a correlation function
+ :param transformed_data: Fourier transformation of the
+ extrapolated data
+ """
+ # Calculate indexes of maxima and minima
+ x = transformed_data.x
+ y = transformed_data.y
+ maxs = argrelextrema(y, np.greater)[0]
+ mins = argrelextrema(y, np.less)[0]
+
+ # If there are no maxima, return None
+ if len(maxs) == 0:
+ return None
+
+ GammaMin = y[mins[0]] # The value at the first minimum
+
+ ddy = (y[:-2]+y[2:]-2*y[1:-1])/(x[2:]-x[:-2])**2 # 2nd derivative of y
+ dy = (y[2:]-y[:-2])/(x[2:]-x[:-2]) # 1st derivative of y
+ # Find where the second derivative goes to zero
+ zeros = argrelextrema(np.abs(ddy), np.less)[0]
+ # locate the first inflection point
+ linear_point = zeros[0]
+
+ # Try to calculate slope around linear_point using 80 data points
+ lower = linear_point - 40
+ upper = linear_point + 40
+
+ # If too few data points to the left, use linear_point*2 data points
+ if lower < 0:
+ lower = 0
+ upper = linear_point * 2
+ # If too few to right, use 2*(dy.size - linear_point) data points
+ elif upper > len(dy):
+ upper = len(dy)
+ width = len(dy) - linear_point
+ lower = 2*linear_point - dy.size
+
+ m = np.mean(dy[lower:upper]) # Linear slope
+ b = y[1:-1][linear_point]-m*x[1:-1][linear_point] # Linear intercept
+
+ Lc = (GammaMin-b)/m # Hard block thickness
+
+ # Find the data points where the graph is linear to within 1%
+ mask = np.where(np.abs((y-(m*x+b))/y) < 0.01)[0]
+ if len(mask) == 0: # Return garbage for bad fits
+ return { 'max': self._round_sig_figs(x[maxs[0]], 6) }
+ dtr = x[mask[0]] # Beginning of Linear Section
+ d0 = x[mask[-1]] # End of Linear Section
+ GammaMax = y[mask[-1]]
+ A = np.abs(GammaMin/GammaMax) # Normalized depth of minimum
+
+ params = {
+ 'max': x[maxs[0]],
+ 'dtr': dtr,
+ 'Lc': Lc,
+ 'd0': d0,
+ 'A': A,
+ 'fill': Lc/x[maxs[0]]
+ }
+
+ return params
+
+
+ def _porod(self, q, K, sigma, bg):
+ """Equation for the Porod region of the data"""
+ return bg + (K*q**(-4))*np.exp(-q**2*sigma**2)
+
+ def _fit_guinier(self, q, iq):
+ """Fit the Guinier region of the curve"""
+ A = np.vstack([q**2, np.ones(q.shape)]).T
+ return lstsq(A, np.log(iq))
+
+ def _fit_porod(self, q, iq):
+ """Fit the Porod region of the curve"""
+ fitp = curve_fit(lambda q, k, sig, bg: self._porod(q, k, sig, bg)*q**2,
+ q, iq*q**2, bounds=([-np.inf, 0, -np.inf], [np.inf, np.inf, np.inf]))[0]
+ k, sigma, bg = fitp
+ return k, sigma, bg
+
+ def _fit_data(self, q, iq):
+ """
+ Given a data set, extrapolate out to large q with Porod and
+ to q=0 with Guinier
+ """
+ mask = np.logical_and(q > self.upperq[0], q < self.upperq[1])
+
+ # Returns an array where the 1st and 2nd elements are the values of k
+ # and sigma for the best-fit Porod function
+ k, sigma, _ = self._fit_porod(q[mask], iq[mask])
+ bg = self.background
+
+ # Smooths between the best-fit porod function and the data to produce a
+ # better fitting curve
+ data = interp1d(q, iq)
+ s1 = self._Interpolator(data,
+ lambda x: self._porod(x, k, sigma, bg), self.upperq[0], q[-1])
+
+ mask = np.logical_and(q < self.lowerq, 0 < q)
+
+ # Returns parameters for the best-fit Guinier function
+ g = self._fit_guinier(q[mask], iq[mask])[0]
+
+ # Smooths between the best-fit Guinier function and the Porod curve
+ s2 = self._Interpolator((lambda x: (np.exp(g[1]+g[0]*x**2))), s1, q[0],
+ self.lowerq)
+
+ params = {'A': g[1], 'B': g[0], 'K': k, 'sigma': sigma}
+
+ return params, s2
diff --git a/src/sas/sascalc/corfunc/transform_thread.py b/src/sas/sascalc/corfunc/transform_thread.py
new file mode 100644
index 0000000..ac1cef8
--- /dev/null
+++ b/src/sas/sascalc/corfunc/transform_thread.py
@@ -0,0 +1,66 @@
+from sas.sascalc.data_util.calcthread import CalcThread
+from sas.sascalc.dataloader.data_info import Data1D
+from scipy.fftpack import dct
+import numpy as np
+from time import sleep
+
+class FourierThread(CalcThread):
+ def __init__(self, raw_data, extrapolated_data, bg, updatefn=None,
+ completefn=None):
+ CalcThread.__init__(self, updatefn=updatefn, completefn=completefn)
+ self.data = raw_data
+ self.background = bg
+ self.extrapolation = extrapolated_data
+
+ def compute(self):
+ qs = self.extrapolation.x
+ iqs = self.extrapolation.y
+ q = self.data.x
+ background = self.background
+
+ self.ready(delay=0.0)
+ self.update(msg="Starting Fourier transform.")
+ self.ready(delay=0.0)
+ if self.isquit():
+ return
+ try:
+ gamma = dct((iqs-background)*qs**2)
+ gamma = gamma / gamma.max()
+ except:
+ self.update(msg="Fourier transform failed.")
+ self.complete(transform=None)
+ return
+ if self.isquit():
+ return
+ self.update(msg="Fourier transform completed.")
+
+ xs = np.pi*np.arange(len(qs),dtype=np.float32)/(q[1]-q[0])/len(qs)
+ transform = Data1D(xs, gamma)
+
+ self.complete(transform=transform)
+
+class HilbertThread(CalcThread):
+ def __init__(self, raw_data, extrapolated_data, bg, updatefn=None,
+ completefn=None):
+ CalcThread.__init__(self, updatefn=updatefn, completefn=completefn)
+ self.data = raw_data
+ self.background = bg
+ self.extrapolation = extrapolated_data
+
+ def compute(self):
+ qs = self.extrapolation.x
+ iqs = self.extrapolation.y
+ q = self.data.x
+ background = self.background
+
+ self.ready(delay=0.0)
+ self.update(msg="Starting Hilbert transform.")
+ self.ready(delay=0.0)
+ if self.isquit():
+ return
+
+ # TODO: Implement hilbert transform
+
+ self.update(msg="Hilbert transform completed.")
+
+ self.complete(transform=None)
diff --git a/src/sas/sascalc/data_util/__init__.py b/src/sas/sascalc/data_util/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/data_util/calcthread.py b/src/sas/sascalc/data_util/calcthread.py
new file mode 100644
index 0000000..b92ab8a
--- /dev/null
+++ b/src/sas/sascalc/data_util/calcthread.py
@@ -0,0 +1,324 @@
+# This program is public domain
+
+## \file
+# \brief Abstract class for defining calculation threads.
+#
+
+import thread
+import traceback
+import sys
+
+if sys.platform.count("darwin") > 0:
+ import time
+ stime = time.time()
+
+ def clock():
+ return time.time() - stime
+
+ def sleep(t):
+ return time.sleep(t)
+else:
+ from time import clock
+ from time import sleep
+
+
+class CalcThread:
+ """Threaded calculation class. Inherit from here and specialize
+ the compute() method to perform the appropriate operations for the
+ class.
+
+ If you specialize the __init__ method be sure to call
+ CalcThread.__init__, passing it the keyword arguments for
+ yieldtime, worktime, update and complete.
+
+ When defining the compute() method you need to include code which
+ allows the GUI to run. They are as follows: ::
+
+ self.isquit() # call frequently to check for interrupts
+ self.update(kw=...) # call when the GUI could be updated
+ self.complete(kw=...) # call before exiting compute()
+
+ The update() and complete() calls accept field=value keyword
+ arguments which are passed to the called function. complete()
+ should be called before exiting the GUI function. A KeyboardInterrupt
+ event is triggered if the GUI signals that the computation should
+ be halted.
+
+ The following documentation should be included in the description
+ of the derived class.
+
+ The user of this class will call the following: ::
+
+ thread = Work(...,kw=...) # prepare the work thread.
+ thread.queue(...,kw=...) # queue a work unit
+ thread.requeue(...,kw=...) # replace work unit on the end of queue
+ thread.reset(...,kw=...) # reset the queue to the given work unit
+ thread.stop() # clear the queue and halt
+ thread.interrupt() # halt the current work unit but continue
+ thread.ready(delay=0.) # request an update signal after delay
+ thread.isrunning() # returns true if compute() is running
+
+ Use queue() when all work must be done. Use requeue() when intermediate
+ work items don't need to be done (e.g., in response to a mouse move
+ event). Use reset() when the current item doesn't need to be completed
+ before the new event (e.g., in response to a mouse release event). Use
+ stop() to halt the current and pending computations (e.g., in response to
+ a stop button).
+
+ The methods queue(), requeue() and reset() are proxies for the compute()
+ method in the subclass. Look there for a description of the arguments.
+ The compute() method can be called directly to run the computation in
+ the main thread, but it should not be called if isrunning() returns true.
+
+ The constructor accepts additional keywords yieldtime=0.01 and
+ worktime=0.01 which determine the cooperative multitasking
+ behaviour. Yield time is the duration of the sleep period
+ required to give other processes a chance to run. Work time
+ is the duration between sleep periods.
+
+ Notifying the GUI thread of work in progress and work complete
+ is done with updatefn=updatefn and completefn=completefn arguments
+ to the constructor. Details of the parameters to the functions
+ depend on the particular calculation class, but they will all
+ be passed as keyword arguments. Details of how the functions
+ should be implemented vary from framework to framework.
+
+ For wx, something like the following is needed::
+
+ import wx, wx.lib.newevent
+ (CalcCompleteEvent, EVT_CALC_COMPLETE) = wx.lib.newevent.NewEvent()
+
+ # methods in the main window class of your application
+ def __init__():
+ ...
+ # Prepare the calculation in the GUI thread.
+ self.work = Work(completefn=self.CalcComplete)
+ self.Bind(EVT_CALC_COMPLETE, self.OnCalcComplete)
+ ...
+ # Bind work queue to a menu event.
+ self.Bind(wx.EVT_MENU, self.OnCalcStart, id=idCALCSTART)
+ ...
+
+ def OnCalcStart(self,event):
+ # Start the work thread from the GUI thread.
+ self.work.queue(...work unit parameters...)
+
+ def CalcComplete(self,**kwargs):
+ # Generate CalcComplete event in the calculation thread.
+ # kwargs contains field1, field2, etc. as defined by
+ # the Work thread class.
+ event = CalcCompleteEvent(**kwargs)
+ wx.PostEvent(self, event)
+
+ def OnCalcComplete(self,event):
+ # Process CalcComplete event in GUI thread.
+ # Use values from event.field1, event.field2 etc. as
+ # defined by the Work thread class to show the results.
+ ...
+ """
+
+ def __init__(self, completefn=None, updatefn=None,
+ yieldtime=0.01, worktime=0.01,
+ exception_handler=None):
+ """Prepare the calculator"""
+ self.yieldtime = yieldtime
+ self.worktime = worktime
+ self.completefn = completefn
+ self.updatefn = updatefn
+ self.exception_handler = exception_handler
+ self._interrupting = False
+ self._running = False
+ self._queue = []
+ self._lock = thread.allocate_lock()
+ self._delay = 1e6
+
+ def queue(self,*args,**kwargs):
+ """Add a work unit to the end of the queue. See the compute()
+ method for details of the arguments to the work unit."""
+ self._lock.acquire()
+ self._queue.append((args, kwargs))
+ # Cannot do start_new_thread call within the lock
+ self._lock.release()
+ if not self._running:
+ self._time_for_update = clock() + 1e6
+ thread.start_new_thread(self._run, ())
+
+ def requeue(self, *args, **kwargs):
+ """Replace the work unit on the end of the queue. See the compute()
+ method for details of the arguments to the work unit."""
+ self._lock.acquire()
+ self._queue = self._queue[:-1]
+ self._lock.release()
+ self.queue(*args, **kwargs)
+
+ def reset(self, *args, **kwargs):
+ """Clear the queue and start a new work unit. See the compute()
+ method for details of the arguments to the work unit."""
+ self.stop()
+ self.queue(*args, **kwargs)
+
+ def stop(self):
+ """Clear the queue and stop the thread. New items may be
+ queued after stop. To stop just the current work item, and
+ continue the rest of the queue call the interrupt method"""
+ self._lock.acquire()
+ self._interrupting = True
+ self._queue = []
+ self._lock.release()
+
+ def interrupt(self):
+ """Stop the current work item. To clear the work queue as
+ well call the stop() method."""
+ self._lock.acquire()
+ self._interrupting = True
+ self._lock.release()
+
+ def isrunning(self):
+ return self._running
+
+ def ready(self, delay=0.):
+ """Ready for another update after delay=t seconds. Call
+ this for threads which can show intermediate results from
+ long calculations."""
+ self._delay = delay
+ self._lock.acquire()
+ self._time_for_update = clock() + delay
+ # print "setting _time_for_update to ",self._time_for_update
+ self._lock.release()
+
+ def isquit(self):
+ """Check for interrupts. Should be called frequently to
+ provide user responsiveness. Also yields to other running
+ threads, which is required for good performance on OS X."""
+
+ # Only called from within the running thread so no need to lock
+ if self._running and self.yieldtime > 0 \
+ and clock() > self._time_for_nap:
+ sleep(self.yieldtime)
+ self._time_for_nap = clock() + self.worktime
+ if self._interrupting:
+ raise KeyboardInterrupt
+
+ def update(self, **kwargs):
+ """Update GUI with the lastest results from the current work unit."""
+ if self.updatefn != None and clock() > self._time_for_update:
+ self._lock.acquire()
+ self._time_for_update = clock() + self._delay
+ self._lock.release()
+ self._time_for_update += 1e6 # No more updates
+
+ self.updatefn(**kwargs)
+ sleep(self.yieldtime)
+ if self._interrupting:
+ raise KeyboardInterrupt
+ else:
+ self.isquit()
+ return
+
+ def complete(self, **kwargs):
+ """Update the GUI with the completed results from a work unit."""
+ if self.completefn != None:
+ self.completefn(**kwargs)
+ sleep(self.yieldtime)
+ return
+
+ def compute(self, *args, **kwargs):
+ """Perform a work unit. The subclass will provide details of
+ the arguments."""
+ raise NotImplemented("Calculation thread needs compute method")
+
+ def exception(self):
+ """
+ An exception occurred during computation, so call the exception handler
+ if there is one. If not, then log the exception and continue.
+ """
+ # If we have an exception handler, let it try to handle the exception.
+ # If it fails fall through to log the failure to handle the exception
+ # (the original exception will be lost). If there is no exception
+ # handler, just log the exception in compute that we are responding to.
+ if self.exception_handler:
+ try:
+ self.exception_handler(*sys.exc_info())
+ return
+ except Exception:
+ pass
+ import logging
+ logging.error(traceback.format_exc())
+ #print 'CalcThread exception',
+
+ def _run(self):
+ """Internal function to manage the thread."""
+ # The code for condition wait in the threading package is
+ # implemented using polling. I'll accept for now that the
+ # authors of this code are clever enough that polling is
+ # difficult to avoid. Rather than polling, I will exit the
+ # thread when the queue is empty and start a new thread when
+ # there is more work to be done.
+ while 1:
+ self._lock.acquire()
+ self._time_for_nap = clock() + self.worktime
+ self._running = True
+ if self._queue == []:
+ break
+ self._interrupting = False
+ args, kwargs = self._queue[0]
+ self._queue = self._queue[1:]
+ self._lock.release()
+ try:
+ self.compute(*args, **kwargs)
+ except KeyboardInterrupt:
+ pass
+ except:
+ self.exception()
+ self._running = False
+
+
+# ======================================================================
+# Demonstration of calcthread in action
+class CalcDemo(CalcThread):
+ """Example of a calculation thread."""
+ def compute(self, n):
+ total = 0.
+ for i in range(n):
+ self.update(i=i)
+ for j in range(n):
+ self.isquit()
+ total += j
+ self.complete(total=total)
+
+
+class CalcCommandline:
+ """
+ Test method
+ """
+ def __init__(self, n=20000):
+ print thread.get_ident()
+ self.starttime = clock()
+ self.done = False
+ self.work = CalcDemo(completefn=self.complete,
+ updatefn=self.update, yieldtime=0.001)
+ self.work2 = CalcDemo(completefn=self.complete,
+ updatefn=self.update)
+ self.work3 = CalcDemo(completefn=self.complete,
+ updatefn=self.update)
+ self.work.queue(n)
+ self.work2.queue(n)
+ self.work3.queue(n)
+ print "Expect updates from Main every second and from thread every 2.5 seconds"
+ print ""
+ self.work.ready(.5)
+ while not self.done:
+ sleep(1)
+ print "Main thread %d at %.2f" % (thread.get_ident(),
+ clock() - self.starttime)
+
+ def update(self, i=0):
+ print "Update i=%d from thread %d at %.2f" % (i, thread.get_ident(),
+ clock() - self.starttime)
+ self.work.ready(2.5)
+
+ def complete(self, total=0.0):
+ print "Complete total=%g from thread %d at %.2f" % (total,
+ thread.get_ident(),
+ clock() - self.starttime)
+ self.done = True
diff --git a/src/sas/sascalc/data_util/err1d.py b/src/sas/sascalc/data_util/err1d.py
new file mode 100644
index 0000000..68fd269
--- /dev/null
+++ b/src/sas/sascalc/data_util/err1d.py
@@ -0,0 +1,155 @@
+# This program is public domain
+"""
+Error propogation algorithms for simple arithmetic
+
+Warning: like the underlying numpy library, the inplace operations
+may return values of the wrong type if some of the arguments are
+integers, so be sure to create them with floating point inputs.
+"""
+from __future__ import division # Get true division
+import numpy
+
+
+def div(X, varX, Y, varY):
+ """Division with error propagation"""
+ # Direct algorithm:
+ # Z = X/Y
+ # varZ = (varX/X**2 + varY/Y**2) * Z**2
+ # = (varX + varY * Z**2) / Y**2
+ # Indirect algorithm to minimize intermediates
+ Z = X/Y # truediv => Z is a float
+ varZ = Z**2 # Z is a float => varZ is a float
+ varZ *= varY
+ varZ += varX
+ T = Y**2 # Doesn't matter if T is float or int
+ varZ /= T
+ return Z, varZ
+
+
+def mul(X, varX, Y, varY):
+ """Multiplication with error propagation"""
+ # Direct algorithm:
+ Z = X * Y
+ varZ = Y**2 * varX + X**2 * varY
+ # Indirect algorithm won't ensure floating point results
+ # varZ = Y**2
+ # varZ *= varX
+ # Z = X**2 # Using Z to hold the temporary
+ # Z *= varY
+ # varZ += Z
+ # Z[:] = X
+ # Z *= Y
+ return Z, varZ
+
+
+def sub(X, varX, Y, varY):
+ """Subtraction with error propagation"""
+ Z = X - Y
+ varZ = varX + varY
+ return Z, varZ
+
+
+def add(X, varX, Y, varY):
+ """Addition with error propagation"""
+ Z = X + Y
+ varZ = varX + varY
+ return Z, varZ
+
+
+def exp(X, varX):
+ """Exponentiation with error propagation"""
+ Z = numpy.exp(X)
+ varZ = varX * Z**2
+ return Z, varZ
+
+
+def log(X, varX):
+ """Logarithm with error propagation"""
+ Z = numpy.log(X)
+ varZ = varX / X**2
+ return Z, varZ
+
+# Confirm this formula before using it
+# def pow(X,varX, Y,varY):
+# Z = X**Y
+# varZ = (Y**2 * varX/X**2 + varY * numpy.log(X)**2) * Z**2
+# return Z,varZ
+#
+
+
+def pow(X, varX, n):
+ """X**n with error propagation"""
+ # Direct algorithm
+ # Z = X**n
+ # varZ = n*n * varX/X**2 * Z**2
+ # Indirect algorithm to minimize intermediates
+ Z = X**n
+ varZ = varX / X
+ varZ /= X
+ varZ *= Z
+ varZ *= Z
+ varZ *= n**2
+ return Z, varZ
+
+
+def div_inplace(X, varX, Y, varY):
+ """In-place division with error propagation"""
+ # Z = X/Y
+ # varZ = (varX + varY * (X/Y)**2) / Y**2 = (varX + varY * Z**2) / Y**2
+ X /= Y # X now has Z = X/Y
+ T = X**2 # create T with Z**2
+ T *= varY # T now has varY * Z**2
+ varX += T # varX now has varX + varY*Z**2
+ del T # may want to use T[:] = Y for vectors
+ T = Y # reuse T for Y
+ T **= 2 # T now has Y**2
+ varX /= T # varX now has varZ
+ return X, varX
+
+
+def mul_inplace(X, varX, Y, varY):
+ """In-place multiplication with error propagation"""
+ # Z = X * Y
+ # varZ = Y**2 * varX + X**2 * varY
+ T = Y**2 # create T with Y**2
+ varX *= T # varX now has Y**2 * varX
+ del T # may want to use T[:] = X for vectors
+ T = X # reuse T for X**2 * varY
+ T **=2 # T now has X**2
+ T *= varY # T now has X**2 * varY
+ varX += T # varX now has varZ
+ X *= Y # X now has Z
+ return X, varX
+
+
+def sub_inplace(X, varX, Y, varY):
+ """In-place subtraction with error propagation"""
+ # Z = X - Y
+ # varZ = varX + varY
+ X -= Y
+ varX += varY
+ return X, varX
+
+
+def add_inplace(X, varX, Y, varY):
+ """In-place addition with error propagation"""
+ # Z = X + Y
+ # varZ = varX + varY
+ X += Y
+ varX += varY
+ return X, varX
+
+
+def pow_inplace(X, varX, n):
+ """In-place X**n with error propagation"""
+ # Direct algorithm
+ # Z = X**n
+ # varZ = abs(n) * varX/X**2 * Z**2
+ # Indirect algorithm to minimize intermediates
+ varX /= X
+ varX /= X # varX now has varX/X**2
+ X **= n # X now has Z = X**n
+ varX *= X
+ varX *= X # varX now has varX/X**2 * Z**2
+ varX *= n**2 # varX now has varZ
+ return X, varX
diff --git a/src/sas/sascalc/data_util/formatnum.py b/src/sas/sascalc/data_util/formatnum.py
new file mode 100644
index 0000000..78f1b76
--- /dev/null
+++ b/src/sas/sascalc/data_util/formatnum.py
@@ -0,0 +1,441 @@
+# This program is public domain
+# Author: Paul Kienzle
+"""
+Format values and uncertainties nicely for printing.
+
+:func:`format_uncertainty_pm` produces the expanded format v +/- err.
+
+:func:`format_uncertainty_compact` produces the compact format v(##),
+where the number in parenthesis is the uncertainty in the last two digits of v.
+
+:func:`format_uncertainty` uses the compact format by default, but this
+can be changed to use the expanded +/- format by setting
+format_uncertainty.compact to False.
+
+The formatted string uses only the number of digits warranted by
+the uncertainty in the measurement.
+
+If the uncertainty is 0 or not otherwise provided, the simple
+%g floating point format option is used.
+
+Infinite and indefinite numbers are represented as inf and NaN.
+
+Example::
+
+ >>> v,dv = 757.2356,0.01032
+ >>> print format_uncertainty_pm(v,dv)
+ 757.236 +/- 0.010
+ >>> print format_uncertainty_compact(v,dv)
+ 757.236(10)
+ >>> print format_uncertainty(v,dv)
+ 757.236(10)
+ >>> format_uncertainty.compact = False
+ >>> print format_uncertainty(v,dv)
+ 757.236 +/- 0.010
+
+UncertaintyFormatter() returns a private formatter with its own
+formatter.compact flag.
+"""
+from __future__ import division
+
+import math
+import numpy
+__all__ = ['format_uncertainty', 'format_uncertainty_pm',
+ 'format_uncertainty_compact']
+
+# Coordinating scales across a set of numbers is not supported. For easy
+# comparison a set of numbers should be shown in the same scale. One could
+# force this from the outside by adding scale parameter (either 10**n, n, or
+# a string representing the desired SI prefix) and having a separate routine
+# which computes the scale given a set of values.
+
+# Coordinating scales with units offers its own problems. Again, the user
+# may want to force particular units. This can be done by outside of the
+# formatting routines by scaling the numbers to the appropriate units then
+# forcing them to print with scale 10**0. If this is a common operation,
+# however, it may want to happen inside.
+
+# The value e<n> is currently formatted into the number. Alternatively this
+# scale factor could be returned so that the user can choose the appropriate
+# SI prefix when printing the units. This gets tricky when talking about
+# composite units such as 2.3e-3 m**2 -> 2300 mm**2, and with volumes
+# such as 1 g/cm**3 -> 1 kg/L.
+
+
+def format_uncertainty_pm(value, uncertainty):
+ """
+ Given *value* v and *uncertainty* dv, return a string v +/- dv.
+ """
+ return _format_uncertainty(value, uncertainty, compact=False)
+
+
+def format_uncertainty_compact(value, uncertainty):
+ """
+ Given *value* v and *uncertainty* dv, return the compact
+ representation v(##), where ## are the first two digits of
+ the uncertainty.
+ """
+ return _format_uncertainty(value, uncertainty, compact=True)
+
+
+class UncertaintyFormatter:
+ """
+ Value and uncertainty formatter.
+
+ The *formatter* instance will use either the expanded v +/- dv form
+ or the compact v(##) form depending on whether *formatter.compact* is
+ True or False. The default is True.
+ """
+ compact = True
+
+ def __call__(self, value, uncertainty):
+ """
+ Given *value* and *uncertainty*, return a string representation.
+ """
+ return _format_uncertainty(value, uncertainty, self.compact)
+format_uncertainty = UncertaintyFormatter()
+
+
+def _format_uncertainty(value, uncertainty, compact):
+ """
+ Implementation of both the compact and the +/- formats.
+ """
+ # Handle indefinite value
+ if numpy.isinf(value):
+ return "inf" if value > 0 else "-inf"
+ if numpy.isnan(value):
+ return "NaN"
+
+ # Handle indefinite uncertainty
+ if uncertainty is None or uncertainty <= 0 or numpy.isnan(uncertainty):
+ return "%g" % value
+ if numpy.isinf(uncertainty):
+ if compact:
+ return "%.2g(inf)" % value
+ else:
+ return "%.2g +/- inf" % value
+
+ # Handle zero and negative values
+ sign = "-" if value < 0 else ""
+ value = abs(value)
+
+ # Determine scale of value and error
+ err_place = int(math.floor(math.log10(uncertainty)))
+ if value == 0:
+ val_place = err_place - 1
+ else:
+ val_place = int(math.floor(math.log10(value)))
+
+ if err_place > val_place:
+ # Degenerate case: error bigger than value
+ # The mantissa is 0.#(##)e#, 0.0#(##)e# or 0.00#(##)e#
+ val_place = err_place + 2
+ elif err_place == val_place:
+ # Degenerate case: error and value the same order of magnitude
+ # The value is ##(##)e#, #.#(##)e# or 0.##(##)e#
+ val_place = err_place + 1
+ elif err_place <= 1 and val_place >= -3:
+ # Normal case: nice numbers and errors
+ # The value is ###.###(##)
+ val_place = 0
+ else:
+ # Extreme cases: zeros before value or after error
+ # The value is ###.###(##)e#, ##.####(##)e# or #.#####(##)e#
+ pass
+
+ # Force engineering notation, with exponent a multiple of 3
+ val_place = int(math.floor(val_place / 3.)) * 3
+
+ # Format the result
+ digits_after_decimal = abs(val_place - err_place + 1)
+ val_str = "%.*f" % (digits_after_decimal, value / 10.**val_place)
+ exp_str = "e%d" % val_place if val_place != 0 else ""
+ if compact:
+ err_str = "(%2d)" % int(uncertainty / 10.**(err_place - 1) + 0.5)
+ result = "".join((sign, val_str, err_str, exp_str))
+ else:
+ err_str = "%.*f" % (digits_after_decimal, uncertainty / 10.**val_place)
+ result = "".join((sign, val_str, exp_str + " +/- ", err_str, exp_str))
+ return result
+
+
+def test_compact():
+ # Oops... renamed function after writing tests
+ value_str = format_uncertainty_compact
+
+ # val_place > err_place
+ assert value_str(1235670,766000) == "1.24(77)e6"
+ assert value_str(123567.,76600) == "124(77)e3"
+ assert value_str(12356.7,7660) == "12.4(77)e3"
+ assert value_str(1235.67,766) == "1.24(77)e3"
+ assert value_str(123.567,76.6) == "124(77)"
+ assert value_str(12.3567,7.66) == "12.4(77)"
+ assert value_str(1.23567,.766) == "1.24(77)"
+ assert value_str(.123567,.0766) == "0.124(77)"
+ assert value_str(.0123567,.00766) == "0.0124(77)"
+ assert value_str(.00123567,.000766) == "0.00124(77)"
+ assert value_str(.000123567,.0000766) == "124(77)e-6"
+ assert value_str(.0000123567,.00000766) == "12.4(77)e-6"
+ assert value_str(.00000123567,.000000766) == "1.24(77)e-6"
+ assert value_str(.000000123567,.0000000766) == "124(77)e-9"
+ assert value_str(.00000123567,.0000000766) == "1.236(77)e-6"
+ assert value_str(.0000123567,.0000000766) == "12.357(77)e-6"
+ assert value_str(.000123567,.0000000766) == "123.567(77)e-6"
+ assert value_str(.00123567,.000000766) == "0.00123567(77)"
+ assert value_str(.0123567,.00000766) == "0.0123567(77)"
+ assert value_str(.123567,.0000766) == "0.123567(77)"
+ assert value_str(1.23567,.000766) == "1.23567(77)"
+ assert value_str(12.3567,.00766) == "12.3567(77)"
+ assert value_str(123.567,.0764) == "123.567(76)"
+ assert value_str(1235.67,.764) == "1235.67(76)"
+ assert value_str(12356.7,7.64) == "12356.7(76)"
+ assert value_str(123567,76.4) == "123567(76)"
+ assert value_str(1235670,764) == "1.23567(76)e6"
+ assert value_str(12356700,764) == "12.35670(76)e6"
+ assert value_str(123567000,764) == "123.56700(76)e6"
+ assert value_str(123567000,7640) == "123.5670(76)e6"
+ assert value_str(1235670000,76400) == "1.235670(76)e9"
+
+ # val_place == err_place
+ assert value_str(123567,764000) == "0.12(76)e6"
+ assert value_str(12356.7,76400) == "12(76)e3"
+ assert value_str(1235.67,7640) == "1.2(76)e3"
+ assert value_str(123.567,764) == "0.12(76)e3"
+ assert value_str(12.3567,76.4) == "12(76)"
+ assert value_str(1.23567,7.64) == "1.2(76)"
+ assert value_str(.123567,.764) == "0.12(76)"
+ assert value_str(.0123567,.0764) == "12(76)e-3"
+ assert value_str(.00123567,.00764) == "1.2(76)e-3"
+ assert value_str(.000123567,.000764) == "0.12(76)e-3"
+
+ # val_place == err_place-1
+ assert value_str(123567,7640000) == "0.1(76)e6"
+ assert value_str(12356.7,764000) == "0.01(76)e6"
+ assert value_str(1235.67,76400) == "0.001(76)e6"
+ assert value_str(123.567,7640) == "0.1(76)e3"
+ assert value_str(12.3567,764) == "0.01(76)e3"
+ assert value_str(1.23567,76.4) == "0.001(76)e3"
+ assert value_str(.123567,7.64) == "0.1(76)"
+ assert value_str(.0123567,.764) == "0.01(76)"
+ assert value_str(.00123567,.0764) == "0.001(76)"
+ assert value_str(.000123567,.00764) == "0.1(76)e-3"
+
+ # val_place == err_place-2
+ assert value_str(12356700,7640000000) == "0.0(76)e9"
+ assert value_str(1235670,764000000) == "0.00(76)e9"
+ assert value_str(123567,76400000) == "0.000(76)e9"
+ assert value_str(12356,7640000) == "0.0(76)e6"
+ assert value_str(1235,764000) == "0.00(76)e6"
+ assert value_str(123,76400) == "0.000(76)e6"
+ assert value_str(12,7640) == "0.0(76)e3"
+ assert value_str(1,764) == "0.00(76)e3"
+ assert value_str(0.1,76.4) == "0.000(76)e3"
+ assert value_str(0.01,7.64) == "0.0(76)"
+ assert value_str(0.001,0.764) == "0.00(76)"
+ assert value_str(0.0001,0.0764) == "0.000(76)"
+ assert value_str(0.00001,0.00764) == "0.0(76)e-3"
+
+ # val_place == err_place-3
+ assert value_str(12356700,76400000000) == "0.000(76)e12"
+ assert value_str(1235670,7640000000) == "0.0(76)e9"
+ assert value_str(123567,764000000) == "0.00(76)e9"
+ assert value_str(12356,76400000) == "0.000(76)e9"
+ assert value_str(1235,7640000) == "0.0(76)e6"
+ assert value_str(123,764000) == "0.00(76)e6"
+ assert value_str(12,76400) == "0.000(76)e6"
+ assert value_str(1,7640) == "0.0(76)e3"
+ assert value_str(0.1,764) == "0.00(76)e3"
+ assert value_str(0.01,76.4) == "0.000(76)e3"
+ assert value_str(0.001,7.64) == "0.0(76)"
+ assert value_str(0.0001,0.764) == "0.00(76)"
+ assert value_str(0.00001,0.0764) == "0.000(76)"
+ assert value_str(0.000001,0.00764) == "0.0(76)e-3"
+
+ # Zero values
+ assert value_str(0,7640000) == "0.0(76)e6"
+ assert value_str(0, 764000) == "0.00(76)e6"
+ assert value_str(0, 76400) == "0.000(76)e6"
+ assert value_str(0, 7640) == "0.0(76)e3"
+ assert value_str(0, 764) == "0.00(76)e3"
+ assert value_str(0, 76.4) == "0.000(76)e3"
+ assert value_str(0, 7.64) == "0.0(76)"
+ assert value_str(0, 0.764) == "0.00(76)"
+ assert value_str(0, 0.0764) == "0.000(76)"
+ assert value_str(0, 0.00764) == "0.0(76)e-3"
+ assert value_str(0, 0.000764) == "0.00(76)e-3"
+ assert value_str(0, 0.0000764) == "0.000(76)e-3"
+
+ # negative values
+ assert value_str(-1235670,765000) == "-1.24(77)e6"
+ assert value_str(-1.23567,.766) == "-1.24(77)"
+ assert value_str(-.00000123567,.0000000766) == "-1.236(77)e-6"
+ assert value_str(-12356.7,7.64) == "-12356.7(76)"
+ assert value_str(-123.567,764) == "-0.12(76)e3"
+ assert value_str(-1235.67,76400) == "-0.001(76)e6"
+ assert value_str(-.000123567,.00764) == "-0.1(76)e-3"
+ assert value_str(-12356,7640000) == "-0.0(76)e6"
+ assert value_str(-12,76400) == "-0.000(76)e6"
+ assert value_str(-0.0001,0.764) == "-0.00(76)"
+
+ # non-finite values
+ assert value_str(-numpy.inf,None) == "-inf"
+ assert value_str(numpy.inf,None) == "inf"
+ assert value_str(numpy.NaN,None) == "NaN"
+
+ # bad or missing uncertainty
+ assert value_str(-1.23567,numpy.NaN) == "-1.23567"
+ assert value_str(-1.23567,-numpy.inf) == "-1.23567"
+ assert value_str(-1.23567,-0.1) == "-1.23567"
+ assert value_str(-1.23567,0) == "-1.23567"
+ assert value_str(-1.23567,None) == "-1.23567"
+ assert value_str(-1.23567,numpy.inf) == "-1.2(inf)"
+
+def test_pm():
+ # Oops... renamed function after writing tests
+ value_str = format_uncertainty_pm
+
+ # val_place > err_place
+ assert value_str(1235670,766000) == "1.24e6 +/- 0.77e6"
+ assert value_str(123567., 76600) == "124e3 +/- 77e3"
+ assert value_str(12356.7, 7660) == "12.4e3 +/- 7.7e3"
+ assert value_str(1235.67, 766) == "1.24e3 +/- 0.77e3"
+ assert value_str(123.567, 76.6) == "124 +/- 77"
+ assert value_str(12.3567, 7.66) == "12.4 +/- 7.7"
+ assert value_str(1.23567, .766) == "1.24 +/- 0.77"
+ assert value_str(.123567, .0766) == "0.124 +/- 0.077"
+ assert value_str(.0123567, .00766) == "0.0124 +/- 0.0077"
+ assert value_str(.00123567, .000766) == "0.00124 +/- 0.00077"
+ assert value_str(.000123567, .0000766) == "124e-6 +/- 77e-6"
+ assert value_str(.0000123567, .00000766) == "12.4e-6 +/- 7.7e-6"
+ assert value_str(.00000123567, .000000766) == "1.24e-6 +/- 0.77e-6"
+ assert value_str(.000000123567,.0000000766) == "124e-9 +/- 77e-9"
+ assert value_str(.00000123567, .0000000766) == "1.236e-6 +/- 0.077e-6"
+ assert value_str(.0000123567, .0000000766) == "12.357e-6 +/- 0.077e-6"
+ assert value_str(.000123567, .0000000766) == "123.567e-6 +/- 0.077e-6"
+ assert value_str(.00123567, .000000766) == "0.00123567 +/- 0.00000077"
+ assert value_str(.0123567, .00000766) == "0.0123567 +/- 0.0000077"
+ assert value_str(.123567, .0000766) == "0.123567 +/- 0.000077"
+ assert value_str(1.23567, .000766) == "1.23567 +/- 0.00077"
+ assert value_str(12.3567, .00766) == "12.3567 +/- 0.0077"
+ assert value_str(123.567, .0764) == "123.567 +/- 0.076"
+ assert value_str(1235.67, .764) == "1235.67 +/- 0.76"
+ assert value_str(12356.7, 7.64) == "12356.7 +/- 7.6"
+ assert value_str(123567, 76.4) == "123567 +/- 76"
+ assert value_str(1235670, 764) == "1.23567e6 +/- 0.00076e6"
+ assert value_str(12356700, 764) == "12.35670e6 +/- 0.00076e6"
+ assert value_str(123567000, 764) == "123.56700e6 +/- 0.00076e6"
+ assert value_str(123567000,7640) == "123.5670e6 +/- 0.0076e6"
+ assert value_str(1235670000,76400) == "1.235670e9 +/- 0.000076e9"
+
+ # val_place == err_place
+ assert value_str(123567,764000) == "0.12e6 +/- 0.76e6"
+ assert value_str(12356.7,76400) == "12e3 +/- 76e3"
+ assert value_str(1235.67,7640) == "1.2e3 +/- 7.6e3"
+ assert value_str(123.567,764) == "0.12e3 +/- 0.76e3"
+ assert value_str(12.3567,76.4) == "12 +/- 76"
+ assert value_str(1.23567,7.64) == "1.2 +/- 7.6"
+ assert value_str(.123567,.764) == "0.12 +/- 0.76"
+ assert value_str(.0123567,.0764) == "12e-3 +/- 76e-3"
+ assert value_str(.00123567,.00764) == "1.2e-3 +/- 7.6e-3"
+ assert value_str(.000123567,.000764) == "0.12e-3 +/- 0.76e-3"
+
+ # val_place == err_place-1
+ assert value_str(123567,7640000) == "0.1e6 +/- 7.6e6"
+ assert value_str(12356.7,764000) == "0.01e6 +/- 0.76e6"
+ assert value_str(1235.67,76400) == "0.001e6 +/- 0.076e6"
+ assert value_str(123.567,7640) == "0.1e3 +/- 7.6e3"
+ assert value_str(12.3567,764) == "0.01e3 +/- 0.76e3"
+ assert value_str(1.23567,76.4) == "0.001e3 +/- 0.076e3"
+ assert value_str(.123567,7.64) == "0.1 +/- 7.6"
+ assert value_str(.0123567,.764) == "0.01 +/- 0.76"
+ assert value_str(.00123567,.0764) == "0.001 +/- 0.076"
+ assert value_str(.000123567,.00764) == "0.1e-3 +/- 7.6e-3"
+
+ # val_place == err_place-2
+ assert value_str(12356700,7640000000) == "0.0e9 +/- 7.6e9"
+ assert value_str(1235670,764000000) == "0.00e9 +/- 0.76e9"
+ assert value_str(123567,76400000) == "0.000e9 +/- 0.076e9"
+ assert value_str(12356,7640000) == "0.0e6 +/- 7.6e6"
+ assert value_str(1235,764000) == "0.00e6 +/- 0.76e6"
+ assert value_str(123,76400) == "0.000e6 +/- 0.076e6"
+ assert value_str(12,7640) == "0.0e3 +/- 7.6e3"
+ assert value_str(1,764) == "0.00e3 +/- 0.76e3"
+ assert value_str(0.1,76.4) == "0.000e3 +/- 0.076e3"
+ assert value_str(0.01,7.64) == "0.0 +/- 7.6"
+ assert value_str(0.001,0.764) == "0.00 +/- 0.76"
+ assert value_str(0.0001,0.0764) == "0.000 +/- 0.076"
+ assert value_str(0.00001,0.00764) == "0.0e-3 +/- 7.6e-3"
+
+ # val_place == err_place-3
+ assert value_str(12356700,76400000000) == "0.000e12 +/- 0.076e12"
+ assert value_str(1235670,7640000000) == "0.0e9 +/- 7.6e9"
+ assert value_str(123567,764000000) == "0.00e9 +/- 0.76e9"
+ assert value_str(12356,76400000) == "0.000e9 +/- 0.076e9"
+ assert value_str(1235,7640000) == "0.0e6 +/- 7.6e6"
+ assert value_str(123,764000) == "0.00e6 +/- 0.76e6"
+ assert value_str(12,76400) == "0.000e6 +/- 0.076e6"
+ assert value_str(1,7640) == "0.0e3 +/- 7.6e3"
+ assert value_str(0.1,764) == "0.00e3 +/- 0.76e3"
+ assert value_str(0.01,76.4) == "0.000e3 +/- 0.076e3"
+ assert value_str(0.001,7.64) == "0.0 +/- 7.6"
+ assert value_str(0.0001,0.764) == "0.00 +/- 0.76"
+ assert value_str(0.00001,0.0764) == "0.000 +/- 0.076"
+ assert value_str(0.000001,0.00764) == "0.0e-3 +/- 7.6e-3"
+
+ # Zero values
+ assert value_str(0,7640000) == "0.0e6 +/- 7.6e6"
+ assert value_str(0, 764000) == "0.00e6 +/- 0.76e6"
+ assert value_str(0, 76400) == "0.000e6 +/- 0.076e6"
+ assert value_str(0, 7640) == "0.0e3 +/- 7.6e3"
+ assert value_str(0, 764) == "0.00e3 +/- 0.76e3"
+ assert value_str(0, 76.4) == "0.000e3 +/- 0.076e3"
+ assert value_str(0, 7.64) == "0.0 +/- 7.6"
+ assert value_str(0, 0.764) == "0.00 +/- 0.76"
+ assert value_str(0, 0.0764) == "0.000 +/- 0.076"
+ assert value_str(0, 0.00764) == "0.0e-3 +/- 7.6e-3"
+ assert value_str(0, 0.000764) == "0.00e-3 +/- 0.76e-3"
+ assert value_str(0, 0.0000764) == "0.000e-3 +/- 0.076e-3"
+
+ # negative values
+ assert value_str(-1235670,766000) == "-1.24e6 +/- 0.77e6"
+ assert value_str(-1.23567,.766) == "-1.24 +/- 0.77"
+ assert value_str(-.00000123567,.0000000766) == "-1.236e-6 +/- 0.077e-6"
+ assert value_str(-12356.7,7.64) == "-12356.7 +/- 7.6"
+ assert value_str(-123.567,764) == "-0.12e3 +/- 0.76e3"
+ assert value_str(-1235.67,76400) == "-0.001e6 +/- 0.076e6"
+ assert value_str(-.000123567,.00764) == "-0.1e-3 +/- 7.6e-3"
+ assert value_str(-12356,7640000) == "-0.0e6 +/- 7.6e6"
+ assert value_str(-12,76400) == "-0.000e6 +/- 0.076e6"
+ assert value_str(-0.0001,0.764) == "-0.00 +/- 0.76"
+
+ # non-finite values
+ assert value_str(-numpy.inf,None) == "-inf"
+ assert value_str(numpy.inf,None) == "inf"
+ assert value_str(numpy.NaN,None) == "NaN"
+
+ # bad or missing uncertainty
+ assert value_str(-1.23567,numpy.NaN) == "-1.23567"
+ assert value_str(-1.23567,-numpy.inf) == "-1.23567"
+ assert value_str(-1.23567,-0.1) == "-1.23567"
+ assert value_str(-1.23567,0) == "-1.23567"
+ assert value_str(-1.23567,None) == "-1.23567"
+ assert value_str(-1.23567,numpy.inf) == "-1.2 +/- inf"
+
+def test_default():
+ # Check that the default is the compact format
+ assert format_uncertainty(-1.23567,0.766) == "-1.24(77)"
+
+def main():
+ """
+ Run all tests.
+
+ This is equivalent to "nosetests --with-doctest"
+ """
+ test_compact()
+ test_pm()
+ test_default()
+
+ import doctest
+ doctest.testmod()
+
+if __name__ == "__main__": main()
diff --git a/src/sas/sascalc/data_util/nxsunit.py b/src/sas/sascalc/data_util/nxsunit.py
new file mode 100644
index 0000000..ddc5ebd
--- /dev/null
+++ b/src/sas/sascalc/data_util/nxsunit.py
@@ -0,0 +1,210 @@
+# This program is public domain
+# Author: Paul Kienzle
+"""
+Define unit conversion support for NeXus style units.
+
+The unit format is somewhat complicated. There are variant spellings
+and incorrect capitalization to worry about, as well as forms such as
+"mili*metre" and "1e-7 seconds".
+
+This is a minimal implementation of units including only what I happen to
+need now. It does not support the complete dimensional analysis provided
+by the package udunits on which NeXus is based, or even the units used
+in the NeXus definition files.
+
+Unlike other units packages, this package does not carry the units along with
+the value but merely provides a conversion function for transforming values.
+
+Usage example::
+
+ import nxsunit
+ u = nxsunit.Converter('mili*metre') # Units stored in mm
+ v = u(3000,'m') # Convert the value 3000 mm into meters
+
+NeXus example::
+
+ # Load sample orientation in radians regardless of how it is stored.
+ # 1. Open the path
+ file.openpath('/entry1/sample/sample_orientation')
+ # 2. scan the attributes, retrieving 'units'
+ units = [for attr,value in file.attrs() if attr == 'units']
+ # 3. set up the converter (assumes that units actually exists)
+ u = nxsunit.Converter(units[0])
+ # 4. read the data and convert to the correct units
+ v = u(file.read(),'radians')
+
+This is a standalone module, not relying on either DANSE or NeXus, and
+can be used for other unit conversion tasks.
+
+Note: minutes are used for angle and seconds are used for time. We
+cannot tell what the correct interpretation is without knowing something
+about the fields themselves. If this becomes an issue, we will need to
+allow the application to set the dimension for the unit rather than
+inferring the dimension from an example unit.
+"""
+
+# TODO: Add udunits to NAPI rather than reimplementing it in python
+# TODO: Alternatively, parse the udunits database directly
+# UDUnits:
+# http://www.unidata.ucar.edu/software/udunits/udunits-1/udunits.txt
+
+from __future__ import division
+import math
+
+__all__ = ['Converter']
+
+# Limited form of units for returning objects of a specific type.
+# Maybe want to do full units handling with e.g., pyre's
+# unit class. For now lets keep it simple. Note that
+def _build_metric_units(unit,abbr):
+ """
+ Construct standard SI names for the given unit.
+ Builds e.g.,
+ s, ns
+ second, nanosecond, nano*second
+ seconds, nanoseconds
+ Includes prefixes for femto through peta.
+
+ Ack! Allows, e.g., Coulomb and coulomb even though Coulomb is not
+ a unit because some NeXus files store it that way!
+
+ Returns a dictionary of names and scales.
+ """
+ prefix = dict(peta=1e15,tera=1e12,giga=1e9,mega=1e6,kilo=1e3,
+ deci=1e-1,centi=1e-2,milli=1e-3,mili=1e-3,micro=1e-6,
+ nano=1e-9,pico=1e-12,femto=1e-15)
+ short_prefix = dict(P=1e15,T=1e12,G=1e9,M=1e6,k=1e3,
+ d=1e-1,c=1e-2,m=1e-3,u=1e-6,
+ n=1e-9,p=1e-12,f=1e-15)
+ map = {abbr:1}
+ map.update([(P+abbr,scale) for (P,scale) in short_prefix.iteritems()])
+ for name in [unit,unit.capitalize()]:
+ map.update({name:1,name+'s':1})
+ map.update([(P+name,scale) for (P,scale) in prefix.iteritems()])
+ map.update([(P+'*'+name,scale) for (P,scale) in prefix.iteritems()])
+ map.update([(P+name+'s',scale) for (P,scale) in prefix.iteritems()])
+ return map
+
+def _build_plural_units(**kw):
+ """
+ Construct names for the given units. Builds singular and plural form.
+ """
+ map = {}
+ map.update([(name,scale) for name,scale in kw.iteritems()])
+ map.update([(name+'s',scale) for name,scale in kw.iteritems()])
+ return map
+
+def _caret_optional(s):
+ """
+ Strip '^' from unit names.
+
+ * WARNING * this will incorrect transform 10^3 to 103.
+ """
+ s.update((k.replace('^',''),v)
+ for k,v in s.items()
+ if '^' in k)
+
+def _build_all_units():
+ distance = _build_metric_units('meter','m')
+ distance.update(_build_metric_units('metre','m'))
+ distance.update(_build_plural_units(micron=1e-6, Angstrom=1e-10))
+ distance.update({'A':1e-10, 'Ang':1e-10})
+
+ # Note: minutes are used for angle
+ time = _build_metric_units('second','s')
+ time.update(_build_plural_units(hour=3600,day=24*3600,week=7*24*3600))
+
+ # Note: seconds are used for time
+ angle = _build_plural_units(degree=1, minute=1/60.,
+ arcminute=1/60., arcsecond=1/3600., radian=180/math.pi)
+ angle.update(deg=1, arcmin=1/60., arcsec=1/3600., rad=180/math.pi)
+
+ frequency = _build_metric_units('hertz','Hz')
+ frequency.update(_build_metric_units('Hertz','Hz'))
+ frequency.update(_build_plural_units(rpm=1/60.))
+
+ # Note: degrees are used for angle
+ # Note: temperature needs an offset as well as a scale
+ temperature = _build_metric_units('kelvin','K')
+ temperature.update(_build_metric_units('Kelvin','K'))
+ temperature.update(_build_metric_units('Celcius', 'C'))
+ temperature.update(_build_metric_units('celcius', 'C'))
+
+ charge = _build_metric_units('coulomb','C')
+ charge.update({'microAmp*hour':0.0036})
+
+ sld = { '10^-6 Angstrom^-2': 1e-6, 'Angstrom^-2': 1 }
+ Q = { 'invA': 1, 'invAng': 1, 'invAngstroms': 1, '1/A': 1,
+ '10^-3 Angstrom^-1': 1e-3, '1/cm': 1e-8,
+ 'nm^-1': 0.1, '1/nm': 0.1, 'n_m^-1': 0.1 }
+
+ _caret_optional(sld)
+ _caret_optional(Q)
+
+ dims = [distance, time, angle, frequency, temperature, charge, sld, Q]
+ return dims
+
+class Converter(object):
+ """
+ Unit converter for NeXus style units.
+ """
+ # Define the units, using both American and European spelling.
+ scalemap = None
+ scalebase = 1
+ dims = _build_all_units()
+
+ # Note: a.u. stands for arbitrary units, which should return the default
+ # units for that particular dimension.
+ # Note: don't have support for dimensionless units.
+ unknown = {None:1, '???':1, '': 1, 'a.u.': 1}
+
+ def __init__(self, name):
+ self.base = name
+ for map in self.dims:
+ if name in map:
+ self.scalemap = map
+ self.scalebase = self.scalemap[name]
+ return
+ if name in self.unknown:
+ return # default scalemap and scalebase correspond to unknown
+ else:
+ raise KeyError("Unknown unit %s"%name)
+
+ def scale(self, units=""):
+ if units == "" or self.scalemap is None: return 1
+ return self.scalebase/self.scalemap[units]
+
+ def __call__(self, value, units=""):
+ # Note: calculating a*1 rather than simply returning a would produce
+ # an unnecessary copy of the array, which in the case of the raw
+ # counts array would be bad. Sometimes copying and other times
+ # not copying is also bad, but copy on modify semantics isn't
+ # supported.
+ if units == "" or self.scalemap is None: return value
+ try:
+ return value * (self.scalebase/self.scalemap[units])
+ except KeyError:
+ possible_units = ", ".join(str(k) for k in self.scalemap.keys())
+ raise KeyError("%s not in %s"%(units,possible_units))
+
+def _check(expect,get):
+ if expect != get: raise ValueError, "Expected %s but got %s"%(expect,get)
+ #print expect,"==",get
+
+def test():
+ _check(1,Converter('n_m^-1')(10,'invA')) # 10 nm^-1 = 1 inv Angstroms
+ _check(2,Converter('mm')(2000,'m')) # 2000 mm -> 2 m
+ _check(0.003,Converter('microseconds')(3,units='ms')) # 3 us -> 0.003 ms
+ _check(45,Converter('nanokelvin')(45)) # 45 nK -> 45 nK
+ _check(0.5,Converter('seconds')(1800,units='hours')) # 1800 s -> 0.5 hr
+ _check(123,Converter('a.u.')(123,units='mm')) # arbitrary units always returns the same value
+ _check(123,Converter('a.u.')(123,units='s')) # arbitrary units always returns the same value
+ _check(123,Converter('a.u.')(123,units='')) # arbitrary units always returns the same value
+ try: Converter('help')
+ except KeyError: pass
+ else: raise Exception("unknown unit did not raise an error")
+
+ # TODO: more tests
+
+if __name__ == "__main__":
+ test()
diff --git a/src/sas/sascalc/data_util/odict.py b/src/sas/sascalc/data_util/odict.py
new file mode 100644
index 0000000..bebe530
--- /dev/null
+++ b/src/sas/sascalc/data_util/odict.py
@@ -0,0 +1,1399 @@
+# odict.py
+# An Ordered Dictionary object
+# Copyright (C) 2005 Nicola Larosa, Michael Foord
+# E-mail: nico AT tekNico DOT net, fuzzyman AT voidspace DOT org DOT uk
+
+# This software is licensed under the terms of the BSD license.
+# http://www.voidspace.org.uk/python/license.shtml
+# Basically you're free to copy, modify, distribute and relicense it,
+# So long as you keep a copy of the license with it.
+
+# Documentation at http://www.voidspace.org.uk/python/odict.html
+# For information about bugfixes, updates and support, please join the
+# Pythonutils mailing list:
+# http://groups.google.com/group/pythonutils/
+# Comments, suggestions and bug reports welcome.
+
+"""A dict that keeps keys in insertion order"""
+from __future__ import generators
+
+__author__ = ('Nicola Larosa <nico-NoSp at m-tekNico.net>,'
+ 'Michael Foord <fuzzyman AT voidspace DOT org DOT uk>')
+
+__docformat__ = "restructuredtext en"
+
+__revision__ = '$Id: odict.py 58 2008-09-02 14:09:54Z farrowch $'
+
+__version__ = '0.2.2'
+
+__all__ = ['OrderedDict', 'SequenceOrderedDict']
+
+import sys
+INTP_VER = sys.version_info[:2]
+if INTP_VER < (2, 2):
+ raise RuntimeError("Python v.2.2 or later required")
+
+import types, warnings
+
+class OrderedDict(dict):
+ """
+ A class of dictionary that keeps the insertion order of keys.
+
+ All appropriate methods return keys, items, or values in an ordered way.
+
+ All normal dictionary methods are available. Update and comparison is
+ restricted to other OrderedDict objects.
+
+ Various sequence methods are available, including the ability to explicitly
+ mutate the key ordering.
+
+ __contains__ tests:
+
+ >>> d = OrderedDict(((1, 3),))
+ >>> 1 in d
+ 1
+ >>> 4 in d
+ 0
+
+ __getitem__ tests:
+
+ >>> OrderedDict(((1, 3), (3, 2), (2, 1)))[2]
+ 1
+ >>> OrderedDict(((1, 3), (3, 2), (2, 1)))[4]
+ Traceback (most recent call last):
+ KeyError: 4
+
+ __len__ tests:
+
+ >>> len(OrderedDict())
+ 0
+ >>> len(OrderedDict(((1, 3), (3, 2), (2, 1))))
+ 3
+
+ get tests:
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.get(1)
+ 3
+ >>> d.get(4) is None
+ 1
+ >>> d.get(4, 5)
+ 5
+ >>> d
+ OrderedDict([(1, 3), (3, 2), (2, 1)])
+
+ has_key tests:
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.has_key(1)
+ 1
+ >>> d.has_key(4)
+ 0
+ """
+
+ def __init__(self, init_val=(), strict=False):
+ """
+ Create a new ordered dictionary. Cannot init from a normal dict,
+ nor from kwargs, since items order is undefined in those cases.
+
+ If the ``strict`` keyword argument is ``True`` (``False`` is the
+ default) then when doing slice assignment - the ``OrderedDict`` you are
+ assigning from *must not* contain any keys in the remaining dict.
+
+ >>> OrderedDict()
+ OrderedDict([])
+ >>> OrderedDict({1: 1})
+ Traceback (most recent call last):
+ TypeError: undefined order, cannot get items from dict
+ >>> OrderedDict({1: 1}.items())
+ OrderedDict([(1, 1)])
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d
+ OrderedDict([(1, 3), (3, 2), (2, 1)])
+ >>> OrderedDict(d)
+ OrderedDict([(1, 3), (3, 2), (2, 1)])
+ """
+ self.strict = strict
+ dict.__init__(self)
+ if isinstance(init_val, OrderedDict):
+ self._sequence = init_val.keys()
+ dict.update(self, init_val)
+ elif isinstance(init_val, dict):
+ # we lose compatibility with other ordered dict types this way
+ raise TypeError('undefined order, cannot get items from dict')
+ else:
+ self._sequence = []
+ self.update(init_val)
+
+### Special methods ###
+
+ def __delitem__(self, key):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> del d[3]
+ >>> d
+ OrderedDict([(1, 3), (2, 1)])
+ >>> del d[3]
+ Traceback (most recent call last):
+ KeyError: 3
+ >>> d[3] = 2
+ >>> d
+ OrderedDict([(1, 3), (2, 1), (3, 2)])
+ >>> del d[0:1]
+ >>> d
+ OrderedDict([(2, 1), (3, 2)])
+ """
+ if isinstance(key, types.SliceType):
+ # FIXME: efficiency?
+ keys = self._sequence[key]
+ for entry in keys:
+ dict.__delitem__(self, entry)
+ del self._sequence[key]
+ else:
+ # do the dict.__delitem__ *first* as it raises
+ # the more appropriate error
+ dict.__delitem__(self, key)
+ self._sequence.remove(key)
+
+ def __eq__(self, other):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d == OrderedDict(d)
+ True
+ >>> d == OrderedDict(((1, 3), (2, 1), (3, 2)))
+ False
+ >>> d == OrderedDict(((1, 0), (3, 2), (2, 1)))
+ False
+ >>> d == OrderedDict(((0, 3), (3, 2), (2, 1)))
+ False
+ >>> d == dict(d)
+ False
+ >>> d == False
+ False
+ """
+ if isinstance(other, OrderedDict):
+ # FIXME: efficiency?
+ # Generate both item lists for each compare
+ return (self.items() == other.items())
+ else:
+ return False
+
+ def __lt__(self, other):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> c = OrderedDict(((0, 3), (3, 2), (2, 1)))
+ >>> c < d
+ True
+ >>> d < c
+ False
+ >>> d < dict(c)
+ Traceback (most recent call last):
+ TypeError: Can only compare with other OrderedDicts
+ """
+ if not isinstance(other, OrderedDict):
+ raise TypeError('Can only compare with other OrderedDicts')
+ # FIXME: efficiency?
+ # Generate both item lists for each compare
+ return (self.items() < other.items())
+
+ def __le__(self, other):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> c = OrderedDict(((0, 3), (3, 2), (2, 1)))
+ >>> e = OrderedDict(d)
+ >>> c <= d
+ True
+ >>> d <= c
+ False
+ >>> d <= dict(c)
+ Traceback (most recent call last):
+ TypeError: Can only compare with other OrderedDicts
+ >>> d <= e
+ True
+ """
+ if not isinstance(other, OrderedDict):
+ raise TypeError('Can only compare with other OrderedDicts')
+ # FIXME: efficiency?
+ # Generate both item lists for each compare
+ return (self.items() <= other.items())
+
+ def __ne__(self, other):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d != OrderedDict(d)
+ False
+ >>> d != OrderedDict(((1, 3), (2, 1), (3, 2)))
+ True
+ >>> d != OrderedDict(((1, 0), (3, 2), (2, 1)))
+ True
+ >>> d == OrderedDict(((0, 3), (3, 2), (2, 1)))
+ False
+ >>> d != dict(d)
+ True
+ >>> d != False
+ True
+ """
+ if isinstance(other, OrderedDict):
+ # FIXME: efficiency?
+ # Generate both item lists for each compare
+ return not (self.items() == other.items())
+ else:
+ return True
+
+ def __gt__(self, other):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> c = OrderedDict(((0, 3), (3, 2), (2, 1)))
+ >>> d > c
+ True
+ >>> c > d
+ False
+ >>> d > dict(c)
+ Traceback (most recent call last):
+ TypeError: Can only compare with other OrderedDicts
+ """
+ if not isinstance(other, OrderedDict):
+ raise TypeError('Can only compare with other OrderedDicts')
+ # FIXME: efficiency?
+ # Generate both item lists for each compare
+ return (self.items() > other.items())
+
+ def __ge__(self, other):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> c = OrderedDict(((0, 3), (3, 2), (2, 1)))
+ >>> e = OrderedDict(d)
+ >>> c >= d
+ False
+ >>> d >= c
+ True
+ >>> d >= dict(c)
+ Traceback (most recent call last):
+ TypeError: Can only compare with other OrderedDicts
+ >>> e >= d
+ True
+ """
+ if not isinstance(other, OrderedDict):
+ raise TypeError('Can only compare with other OrderedDicts')
+ # FIXME: efficiency?
+ # Generate both item lists for each compare
+ return (self.items() >= other.items())
+
+ def __repr__(self):
+ """
+ Used for __repr__ and __str__
+
+ >>> r1 = repr(OrderedDict((('a', 'b'), ('c', 'd'), ('e', 'f'))))
+ >>> r1
+ "OrderedDict([('a', 'b'), ('c', 'd'), ('e', 'f')])"
+ >>> r2 = repr(OrderedDict((('a', 'b'), ('e', 'f'), ('c', 'd'))))
+ >>> r2
+ "OrderedDict([('a', 'b'), ('e', 'f'), ('c', 'd')])"
+ >>> r1 == str(OrderedDict((('a', 'b'), ('c', 'd'), ('e', 'f'))))
+ True
+ >>> r2 == str(OrderedDict((('a', 'b'), ('e', 'f'), ('c', 'd'))))
+ True
+ """
+ return '%s([%s])' % (self.__class__.__name__, ', '.join(
+ ['(%r, %r)' % (key, self[key]) for key in self._sequence]))
+
+ def __setitem__(self, key, val):
+ """
+ Allows slice assignment, so long as the slice is an OrderedDict
+ >>> d = OrderedDict()
+ >>> d['a'] = 'b'
+ >>> d['b'] = 'a'
+ >>> d[3] = 12
+ >>> d
+ OrderedDict([('a', 'b'), ('b', 'a'), (3, 12)])
+ >>> d[:] = OrderedDict(((1, 2), (2, 3), (3, 4)))
+ >>> d
+ OrderedDict([(1, 2), (2, 3), (3, 4)])
+ >>> d[::2] = OrderedDict(((7, 8), (9, 10)))
+ >>> d
+ OrderedDict([(7, 8), (2, 3), (9, 10)])
+ >>> d = OrderedDict(((0, 1), (1, 2), (2, 3), (3, 4)))
+ >>> d[1:3] = OrderedDict(((1, 2), (5, 6), (7, 8)))
+ >>> d
+ OrderedDict([(0, 1), (1, 2), (5, 6), (7, 8), (3, 4)])
+ >>> d = OrderedDict(((0, 1), (1, 2), (2, 3), (3, 4)), strict=True)
+ >>> d[1:3] = OrderedDict(((1, 2), (5, 6), (7, 8)))
+ >>> d
+ OrderedDict([(0, 1), (1, 2), (5, 6), (7, 8), (3, 4)])
+
+ >>> a = OrderedDict(((0, 1), (1, 2), (2, 3)), strict=True)
+ >>> a[3] = 4
+ >>> a
+ OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a[::1] = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a
+ OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a[:2] = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4), (4, 5)])
+ Traceback (most recent call last):
+ ValueError: slice assignment must be from unique keys
+ >>> a = OrderedDict(((0, 1), (1, 2), (2, 3)))
+ >>> a[3] = 4
+ >>> a
+ OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a[::1] = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a
+ OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a[:2] = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a
+ OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a[::-1] = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> a
+ OrderedDict([(3, 4), (2, 3), (1, 2), (0, 1)])
+
+ >>> d = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> d[:1] = 3
+ Traceback (most recent call last):
+ TypeError: slice assignment requires an OrderedDict
+
+ >>> d = OrderedDict([(0, 1), (1, 2), (2, 3), (3, 4)])
+ >>> d[:1] = OrderedDict([(9, 8)])
+ >>> d
+ OrderedDict([(9, 8), (1, 2), (2, 3), (3, 4)])
+ """
+ if isinstance(key, types.SliceType):
+ if not isinstance(val, OrderedDict):
+ # FIXME: allow a list of tuples?
+ raise TypeError('slice assignment requires an OrderedDict')
+ keys = self._sequence[key]
+ # NOTE: Could use ``range(*key.indices(len(self._sequence)))``
+ indexes = range(len(self._sequence))[key]
+ if key.step is None:
+ # NOTE: new slice may not be the same size as the one being
+ # overwritten !
+ # NOTE: What is the algorithm for an impossible slice?
+ # e.g. d[5:3]
+ pos = key.start or 0
+ del self[key]
+ newkeys = val.keys()
+ for k in newkeys:
+ if k in self:
+ if self.strict:
+ raise ValueError('slice assignment must be from '
+ 'unique keys')
+ else:
+ # NOTE: This removes duplicate keys *first*
+ # so start position might have changed?
+ del self[k]
+ self._sequence = (self._sequence[:pos] + newkeys +
+ self._sequence[pos:])
+ dict.update(self, val)
+ else:
+ # extended slice - length of new slice must be the same
+ # as the one being replaced
+ if len(keys) != len(val):
+ raise ValueError('attempt to assign sequence of size %s '
+ 'to extended slice of size %s' % (len(val), len(keys)))
+ # FIXME: efficiency?
+ del self[key]
+ item_list = zip(indexes, val.items())
+ # smallest indexes first - higher indexes not guaranteed to
+ # exist
+ item_list.sort()
+ for pos, (newkey, newval) in item_list:
+ if self.strict and newkey in self:
+ raise ValueError('slice assignment must be from unique'
+ ' keys')
+ self.insert(pos, newkey, newval)
+ else:
+ if key not in self:
+ self._sequence.append(key)
+ dict.__setitem__(self, key, val)
+
+ def __getitem__(self, key):
+ """
+ Allows slicing. Returns an OrderedDict if you slice.
+ >>> b = OrderedDict([(7, 0), (6, 1), (5, 2), (4, 3), (3, 4), (2, 5), (1, 6)])
+ >>> b[::-1]
+ OrderedDict([(1, 6), (2, 5), (3, 4), (4, 3), (5, 2), (6, 1), (7, 0)])
+ >>> b[2:5]
+ OrderedDict([(5, 2), (4, 3), (3, 4)])
+ >>> type(b[2:4])
+ <class '__main__.OrderedDict'>
+ """
+ if isinstance(key, types.SliceType):
+ # FIXME: does this raise the error we want?
+ keys = self._sequence[key]
+ # FIXME: efficiency?
+ return OrderedDict([(entry, self[entry]) for entry in keys])
+ else:
+ return dict.__getitem__(self, key)
+
+ __str__ = __repr__
+
+ def __setattr__(self, name, value):
+ """
+ Implemented so that accesses to ``sequence`` raise a warning and are
+ diverted to the new ``setkeys`` method.
+ """
+ if name == 'sequence':
+ warnings.warn('Use of the sequence attribute is deprecated.'
+ ' Use the keys method instead.', DeprecationWarning)
+ # NOTE: doesn't return anything
+ self.setkeys(value)
+ else:
+ # FIXME: do we want to allow arbitrary setting of attributes?
+ # Or do we want to manage it?
+ object.__setattr__(self, name, value)
+
+ def __getattr__(self, name):
+ """
+ Implemented so that access to ``sequence`` raises a warning.
+
+ >>> d = OrderedDict()
+ >>> d.sequence
+ []
+ """
+ if name == 'sequence':
+ warnings.warn('Use of the sequence attribute is deprecated.'
+ ' Use the keys method instead.', DeprecationWarning)
+ # NOTE: Still (currently) returns a direct reference. Need to
+ # because code that uses sequence will expect to be able to
+ # mutate it in place.
+ return self._sequence
+ else:
+ # raise the appropriate error
+ raise AttributeError("OrderedDict has no '%s' attribute" % name)
+
+ def __deepcopy__(self, memo):
+ """
+ To allow deepcopy to work with OrderedDict.
+
+ >>> from copy import deepcopy
+ >>> a = OrderedDict([(1, 1), (2, 2), (3, 3)])
+ >>> a['test'] = {}
+ >>> b = deepcopy(a)
+ >>> b == a
+ True
+ >>> b is a
+ False
+ >>> a['test'] is b['test']
+ False
+ """
+ from copy import deepcopy
+ return self.__class__(deepcopy(self.items(), memo), self.strict)
+
+
+### Read-only methods ###
+
+ def copy(self):
+ """
+ >>> OrderedDict(((1, 3), (3, 2), (2, 1))).copy()
+ OrderedDict([(1, 3), (3, 2), (2, 1)])
+ """
+ return OrderedDict(self)
+
+ def items(self):
+ """
+ ``items`` returns a list of tuples representing all the
+ ``(key, value)`` pairs in the dictionary.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.items()
+ [(1, 3), (3, 2), (2, 1)]
+ >>> d.clear()
+ >>> d.items()
+ []
+ """
+ return zip(self._sequence, self.values())
+
+ def keys(self):
+ """
+ Return a list of keys in the ``OrderedDict``.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.keys()
+ [1, 3, 2]
+ """
+ return self._sequence[:]
+
+ def values(self, values=None):
+ """
+ Return a list of all the values in the OrderedDict.
+
+ Optionally you can pass in a list of values, which will replace the
+ current list. The value list must be the same len as the OrderedDict.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.values()
+ [3, 2, 1]
+ """
+ return [self[key] for key in self._sequence]
+
+ def iteritems(self):
+ """
+ >>> ii = OrderedDict(((1, 3), (3, 2), (2, 1))).iteritems()
+ >>> ii.next()
+ (1, 3)
+ >>> ii.next()
+ (3, 2)
+ >>> ii.next()
+ (2, 1)
+ >>> ii.next()
+ Traceback (most recent call last):
+ StopIteration
+ """
+ def make_iter(self=self):
+ keys = self.iterkeys()
+ while True:
+ key = keys.next()
+ yield (key, self[key])
+ return make_iter()
+
+ def iterkeys(self):
+ """
+ >>> ii = OrderedDict(((1, 3), (3, 2), (2, 1))).iterkeys()
+ >>> ii.next()
+ 1
+ >>> ii.next()
+ 3
+ >>> ii.next()
+ 2
+ >>> ii.next()
+ Traceback (most recent call last):
+ StopIteration
+ """
+ return iter(self._sequence)
+
+ __iter__ = iterkeys
+
+ def itervalues(self):
+ """
+ >>> iv = OrderedDict(((1, 3), (3, 2), (2, 1))).itervalues()
+ >>> iv.next()
+ 3
+ >>> iv.next()
+ 2
+ >>> iv.next()
+ 1
+ >>> iv.next()
+ Traceback (most recent call last):
+ StopIteration
+ """
+ def make_iter(self=self):
+ keys = self.iterkeys()
+ while True:
+ yield self[keys.next()]
+ return make_iter()
+
+### Read-write methods ###
+
+ def clear(self):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.clear()
+ >>> d
+ OrderedDict([])
+ """
+ dict.clear(self)
+ self._sequence = []
+
+ def pop(self, key, *args):
+ """
+ No dict.pop in Python 2.2, gotta reimplement it
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.pop(3)
+ 2
+ >>> d
+ OrderedDict([(1, 3), (2, 1)])
+ >>> d.pop(4)
+ Traceback (most recent call last):
+ KeyError: 4
+ >>> d.pop(4, 0)
+ 0
+ >>> d.pop(4, 0, 1)
+ Traceback (most recent call last):
+ TypeError: pop expected at most 2 arguments, got 3
+ """
+ if len(args) > 1:
+ raise TypeError, ('pop expected at most 2 arguments, got %s' %
+ (len(args) + 1))
+ if key in self:
+ val = self[key]
+ del self[key]
+ else:
+ try:
+ val = args[0]
+ except IndexError:
+ raise KeyError(key)
+ return val
+
+ def popitem(self, i=-1):
+ """
+ Delete and return an item specified by index, not a random one as in
+ dict. The index is -1 by default (the last item).
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.popitem()
+ (2, 1)
+ >>> d
+ OrderedDict([(1, 3), (3, 2)])
+ >>> d.popitem(0)
+ (1, 3)
+ >>> OrderedDict().popitem()
+ Traceback (most recent call last):
+ KeyError: 'popitem(): dictionary is empty'
+ >>> d.popitem(2)
+ Traceback (most recent call last):
+ IndexError: popitem(): index 2 not valid
+ """
+ if not self._sequence:
+ raise KeyError('popitem(): dictionary is empty')
+ try:
+ key = self._sequence[i]
+ except IndexError:
+ raise IndexError('popitem(): index %s not valid' % i)
+ return (key, self.pop(key))
+
+ def setdefault(self, key, defval = None):
+ """
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.setdefault(1)
+ 3
+ >>> d.setdefault(4) is None
+ True
+ >>> d
+ OrderedDict([(1, 3), (3, 2), (2, 1), (4, None)])
+ >>> d.setdefault(5, 0)
+ 0
+ >>> d
+ OrderedDict([(1, 3), (3, 2), (2, 1), (4, None), (5, 0)])
+ """
+ if key in self:
+ return self[key]
+ else:
+ self[key] = defval
+ return defval
+
+ def update(self, from_od):
+ """
+ Update from another OrderedDict or sequence of (key, value) pairs
+
+ >>> d = OrderedDict(((1, 0), (0, 1)))
+ >>> d.update(OrderedDict(((1, 3), (3, 2), (2, 1))))
+ >>> d
+ OrderedDict([(1, 3), (0, 1), (3, 2), (2, 1)])
+ >>> d.update({4: 4})
+ Traceback (most recent call last):
+ TypeError: undefined order, cannot get items from dict
+ >>> d.update((4, 4))
+ Traceback (most recent call last):
+ TypeError: cannot convert dictionary update sequence element "4" to a 2-item sequence
+ """
+ if isinstance(from_od, OrderedDict):
+ for key, val in from_od.items():
+ self[key] = val
+ elif isinstance(from_od, dict):
+ # we lose compatibility with other ordered dict types this way
+ raise TypeError('undefined order, cannot get items from dict')
+ else:
+ # FIXME: efficiency?
+ # sequence of 2-item sequences, or error
+ for item in from_od:
+ try:
+ key, val = item
+ except TypeError:
+ raise TypeError('cannot convert dictionary update'
+ ' sequence element "%s" to a 2-item sequence' % item)
+ self[key] = val
+
+ def rename(self, old_key, new_key):
+ """
+ Rename the key for a given value, without modifying sequence order.
+
+ For the case where new_key already exists this raise an exception,
+ since if new_key exists, it is ambiguous as to what happens to the
+ associated values, and the position of new_key in the sequence.
+
+ >>> od = OrderedDict()
+ >>> od['a'] = 1
+ >>> od['b'] = 2
+ >>> od.items()
+ [('a', 1), ('b', 2)]
+ >>> od.rename('b', 'c')
+ >>> od.items()
+ [('a', 1), ('c', 2)]
+ >>> od.rename('c', 'a')
+ Traceback (most recent call last):
+ ValueError: New key already exists: 'a'
+ >>> od.rename('d', 'b')
+ Traceback (most recent call last):
+ KeyError: 'd'
+ """
+ if new_key == old_key:
+ # no-op
+ return
+ if new_key in self:
+ raise ValueError("New key already exists: %r" % new_key)
+ # rename sequence entry
+ value = self[old_key]
+ old_idx = self._sequence.index(old_key)
+ self._sequence[old_idx] = new_key
+ # rename internal dict entry
+ dict.__delitem__(self, old_key)
+ dict.__setitem__(self, new_key, value)
+
+ def setitems(self, items):
+ """
+ This method allows you to set the items in the dict.
+
+ It takes a list of tuples - of the same sort returned by the ``items``
+ method.
+
+ >>> d = OrderedDict()
+ >>> d.setitems(((3, 1), (2, 3), (1, 2)))
+ >>> d
+ OrderedDict([(3, 1), (2, 3), (1, 2)])
+ """
+ self.clear()
+ # FIXME: this allows you to pass in an OrderedDict as well :-)
+ self.update(items)
+
+ def setkeys(self, keys):
+ """
+ ``setkeys`` all ows you to pass in a new list of keys which will
+ replace the current set. This must contain the same set of keys, but
+ need not be in the same order.
+
+ If you pass in new keys that don't match, a ``KeyError`` will be
+ raised.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.keys()
+ [1, 3, 2]
+ >>> d.setkeys((1, 2, 3))
+ >>> d
+ OrderedDict([(1, 3), (2, 1), (3, 2)])
+ >>> d.setkeys(['a', 'b', 'c'])
+ Traceback (most recent call last):
+ KeyError: 'Keylist is not the same as current keylist.'
+ """
+ # FIXME: Efficiency? (use set for Python 2.4 :-)
+ # NOTE: list(keys) rather than keys[:] because keys[:] returns
+ # a tuple, if keys is a tuple.
+ kcopy = list(keys)
+ kcopy.sort()
+ self._sequence.sort()
+ if kcopy != self._sequence:
+ raise KeyError('Keylist is not the same as current keylist.')
+ # NOTE: This makes the _sequence attribute a new object, instead
+ # of changing it in place.
+ # FIXME: efficiency?
+ self._sequence = list(keys)
+
+ def setvalues(self, values):
+ """
+ You can pass in a list of values, which will replace the
+ current list. The value list must be the same len as the OrderedDict.
+
+ (Or a ``ValueError`` is raised.)
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.setvalues((1, 2, 3))
+ >>> d
+ OrderedDict([(1, 1), (3, 2), (2, 3)])
+ >>> d.setvalues([6])
+ Traceback (most recent call last):
+ ValueError: Value list is not the same length as the OrderedDict.
+ """
+ if len(values) != len(self):
+ # FIXME: correct error to raise?
+ raise ValueError('Value list is not the same length as the '
+ 'OrderedDict.')
+ self.update(zip(self, values))
+
+### Sequence Methods ###
+
+ def index(self, key):
+ """
+ Return the position of the specified key in the OrderedDict.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.index(3)
+ 1
+ >>> d.index(4)
+ Traceback (most recent call last):
+ ValueError: list.index(x): x not in list
+ """
+ return self._sequence.index(key)
+
+ def insert(self, index, key, value):
+ """
+ Takes ``index``, ``key``, and ``value`` as arguments.
+
+ Sets ``key`` to ``value``, so that ``key`` is at position ``index`` in
+ the OrderedDict.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.insert(0, 4, 0)
+ >>> d
+ OrderedDict([(4, 0), (1, 3), (3, 2), (2, 1)])
+ >>> d.insert(0, 2, 1)
+ >>> d
+ OrderedDict([(2, 1), (4, 0), (1, 3), (3, 2)])
+ >>> d.insert(8, 8, 1)
+ >>> d
+ OrderedDict([(2, 1), (4, 0), (1, 3), (3, 2), (8, 1)])
+ """
+ if key in self:
+ # FIXME: efficiency?
+ del self[key]
+ self._sequence.insert(index, key)
+ dict.__setitem__(self, key, value)
+
+ def reverse(self):
+ """
+ Reverse the order of the OrderedDict.
+
+ >>> d = OrderedDict(((1, 3), (3, 2), (2, 1)))
+ >>> d.reverse()
+ >>> d
+ OrderedDict([(2, 1), (3, 2), (1, 3)])
+ """
+ self._sequence.reverse()
+
+ def sort(self, *args, **kwargs):
+ """
+ Sort the key order in the OrderedDict.
+
+ This method takes the same arguments as the ``list.sort`` method on
+ your version of Python.
+
+ >>> d = OrderedDict(((4, 1), (2, 2), (3, 3), (1, 4)))
+ >>> d.sort()
+ >>> d
+ OrderedDict([(1, 4), (2, 2), (3, 3), (4, 1)])
+ """
+ self._sequence.sort(*args, **kwargs)
+
+class Keys(object):
+ # FIXME: should this object be a subclass of list?
+ """
+ Custom object for accessing the keys of an OrderedDict.
+
+ Can be called like the normal ``OrderedDict.keys`` method, but also
+ supports indexing and sequence methods.
+ """
+
+ def __init__(self, main):
+ self._main = main
+
+ def __call__(self):
+ """Pretend to be the keys method."""
+ return self._main._keys()
+
+ def __getitem__(self, index):
+ """Fetch the key at position i."""
+ # NOTE: this automatically supports slicing :-)
+ return self._main._sequence[index]
+
+ def __setitem__(self, index, name):
+ """
+ You cannot assign to keys, but you can do slice assignment to re-order
+ them.
+
+ You can only do slice assignment if the new set of keys is a reordering
+ of the original set.
+ """
+ if isinstance(index, types.SliceType):
+ # FIXME: efficiency?
+ # check length is the same
+ indexes = range(len(self._main._sequence))[index]
+ if len(indexes) != len(name):
+ raise ValueError('attempt to assign sequence of size %s '
+ 'to slice of size %s' % (len(name), len(indexes)))
+ # check they are the same keys
+ # FIXME: Use set
+ old_keys = self._main._sequence[index]
+ new_keys = list(name)
+ old_keys.sort()
+ new_keys.sort()
+ if old_keys != new_keys:
+ raise KeyError('Keylist is not the same as current keylist.')
+ orig_vals = [self._main[k] for k in name]
+ del self._main[index]
+ vals = zip(indexes, name, orig_vals)
+ vals.sort()
+ for i, k, v in vals:
+ if self._main.strict and k in self._main:
+ raise ValueError('slice assignment must be from '
+ 'unique keys')
+ self._main.insert(i, k, v)
+ else:
+ raise ValueError('Cannot assign to keys')
+
+ ### following methods pinched from UserList and adapted ###
+ def __repr__(self): return repr(self._main._sequence)
+
+ # FIXME: do we need to check if we are comparing with another ``Keys``
+ # object? (like the __cast method of UserList)
+ def __lt__(self, other): return self._main._sequence < other
+ def __le__(self, other): return self._main._sequence <= other
+ def __eq__(self, other): return self._main._sequence == other
+ def __ne__(self, other): return self._main._sequence != other
+ def __gt__(self, other): return self._main._sequence > other
+ def __ge__(self, other): return self._main._sequence >= other
+ # FIXME: do we need __cmp__ as well as rich comparisons?
+ def __cmp__(self, other): return cmp(self._main._sequence, other)
+
+ def __contains__(self, item): return item in self._main._sequence
+ def __len__(self): return len(self._main._sequence)
+ def __iter__(self): return self._main.iterkeys()
+ def count(self, item): return self._main._sequence.count(item)
+ def index(self, item, *args): return self._main._sequence.index(item, *args)
+ def reverse(self): self._main._sequence.reverse()
+ def sort(self, *args, **kwds): self._main._sequence.sort(*args, **kwds)
+ def __mul__(self, n): return self._main._sequence*n
+ __rmul__ = __mul__
+ def __add__(self, other): return self._main._sequence + other
+ def __radd__(self, other): return other + self._main._sequence
+
+ ## following methods not implemented for keys ##
+ def __delitem__(self, i): raise TypeError('Can\'t delete items from keys')
+ def __iadd__(self, other): raise TypeError('Can\'t add in place to keys')
+ def __imul__(self, n): raise TypeError('Can\'t multiply keys in place')
+ def append(self, item): raise TypeError('Can\'t append items to keys')
+ def insert(self, i, item): raise TypeError('Can\'t insert items into keys')
+ def pop(self, i=-1): raise TypeError('Can\'t pop items from keys')
+ def remove(self, item): raise TypeError('Can\'t remove items from keys')
+ def extend(self, other): raise TypeError('Can\'t extend keys')
+
+class Items(object):
+ """
+ Custom object for accessing the items of an OrderedDict.
+
+ Can be called like the normal ``OrderedDict.items`` method, but also
+ supports indexing and sequence methods.
+ """
+
+ def __init__(self, main):
+ self._main = main
+
+ def __call__(self):
+ """Pretend to be the items method."""
+ return self._main._items()
+
+ def __getitem__(self, index):
+ """Fetch the item at position i."""
+ if isinstance(index, types.SliceType):
+ # fetching a slice returns an OrderedDict
+ return self._main[index].items()
+ key = self._main._sequence[index]
+ return (key, self._main[key])
+
+ def __setitem__(self, index, item):
+ """Set item at position i to item."""
+ if isinstance(index, types.SliceType):
+ # NOTE: item must be an iterable (list of tuples)
+ self._main[index] = OrderedDict(item)
+ else:
+ # FIXME: Does this raise a sensible error?
+ orig = self._main.keys[index]
+ key, value = item
+ if self._main.strict and key in self and (key != orig):
+ raise ValueError('slice assignment must be from '
+ 'unique keys')
+ # delete the current one
+ del self._main[self._main._sequence[index]]
+ self._main.insert(index, key, value)
+
+ def __delitem__(self, i):
+ """Delete the item at position i."""
+ key = self._main._sequence[i]
+ if isinstance(i, types.SliceType):
+ for k in key:
+ # FIXME: efficiency?
+ del self._main[k]
+ else:
+ del self._main[key]
+
+ ### following methods pinched from UserList and adapted ###
+ def __repr__(self): return repr(self._main.items())
+
+ # FIXME: do we need to check if we are comparing with another ``Items``
+ # object? (like the __cast method of UserList)
+ def __lt__(self, other): return self._main.items() < other
+ def __le__(self, other): return self._main.items() <= other
+ def __eq__(self, other): return self._main.items() == other
+ def __ne__(self, other): return self._main.items() != other
+ def __gt__(self, other): return self._main.items() > other
+ def __ge__(self, other): return self._main.items() >= other
+ def __cmp__(self, other): return cmp(self._main.items(), other)
+
+ def __contains__(self, item): return item in self._main.items()
+ def __len__(self): return len(self._main._sequence) # easier :-)
+ def __iter__(self): return self._main.iteritems()
+ def count(self, item): return self._main.items().count(item)
+ def index(self, item, *args): return self._main.items().index(item, *args)
+ def reverse(self): self._main.reverse()
+ def sort(self, *args, **kwds): self._main.sort(*args, **kwds)
+ def __mul__(self, n): return self._main.items()*n
+ __rmul__ = __mul__
+ def __add__(self, other): return self._main.items() + other
+ def __radd__(self, other): return other + self._main.items()
+
+ def append(self, item):
+ """Add an item to the end."""
+ # FIXME: this is only append if the key isn't already present
+ key, value = item
+ self._main[key] = value
+
+ def insert(self, i, item):
+ key, value = item
+ self._main.insert(i, key, value)
+
+ def pop(self, i=-1):
+ key = self._main._sequence[i]
+ return (key, self._main.pop(key))
+
+ def remove(self, item):
+ key, value = item
+ try:
+ assert value == self._main[key]
+ except (KeyError, AssertionError):
+ raise ValueError('ValueError: list.remove(x): x not in list')
+ else:
+ del self._main[key]
+
+ def extend(self, other):
+ # FIXME: is only a true extend if none of the keys already present
+ for item in other:
+ key, value = item
+ self._main[key] = value
+
+ def __iadd__(self, other):
+ self.extend(other)
+
+ ## following methods not implemented for items ##
+
+ def __imul__(self, n): raise TypeError('Can\'t multiply items in place')
+
+class Values(object):
+ """
+ Custom object for accessing the values of an OrderedDict.
+
+ Can be called like the normal ``OrderedDict.values`` method, but also
+ supports indexing and sequence methods.
+ """
+
+ def __init__(self, main):
+ self._main = main
+
+ def __call__(self):
+ """Pretend to be the values method."""
+ return self._main._values()
+
+ def __getitem__(self, index):
+ """Fetch the value at position i."""
+ if isinstance(index, types.SliceType):
+ return [self._main[key] for key in self._main._sequence[index]]
+ else:
+ return self._main[self._main._sequence[index]]
+
+ def __setitem__(self, index, value):
+ """
+ Set the value at position i to value.
+
+ You can only do slice assignment to values if you supply a sequence of
+ equal length to the slice you are replacing.
+ """
+ if isinstance(index, types.SliceType):
+ keys = self._main._sequence[index]
+ if len(keys) != len(value):
+ raise ValueError('attempt to assign sequence of size %s '
+ 'to slice of size %s' % (len(name), len(keys)))
+ # FIXME: efficiency? Would be better to calculate the indexes
+ # directly from the slice object
+ # NOTE: the new keys can collide with existing keys (or even
+ # contain duplicates) - these will overwrite
+ for key, val in zip(keys, value):
+ self._main[key] = val
+ else:
+ self._main[self._main._sequence[index]] = value
+
+ ### following methods pinched from UserList and adapted ###
+ def __repr__(self): return repr(self._main.values())
+
+ # FIXME: do we need to check if we are comparing with another ``Values``
+ # object? (like the __cast method of UserList)
+ def __lt__(self, other): return self._main.values() < other
+ def __le__(self, other): return self._main.values() <= other
+ def __eq__(self, other): return self._main.values() == other
+ def __ne__(self, other): return self._main.values() != other
+ def __gt__(self, other): return self._main.values() > other
+ def __ge__(self, other): return self._main.values() >= other
+ def __cmp__(self, other): return cmp(self._main.values(), other)
+
+ def __contains__(self, item): return item in self._main.values()
+ def __len__(self): return len(self._main._sequence) # easier :-)
+ def __iter__(self): return self._main.itervalues()
+ def count(self, item): return self._main.values().count(item)
+ def index(self, item, *args): return self._main.values().index(item, *args)
+
+ def reverse(self):
+ """Reverse the values"""
+ vals = self._main.values()
+ vals.reverse()
+ # FIXME: efficiency
+ self[:] = vals
+
+ def sort(self, *args, **kwds):
+ """Sort the values."""
+ vals = self._main.values()
+ vals.sort(*args, **kwds)
+ self[:] = vals
+
+ def __mul__(self, n): return self._main.values()*n
+ __rmul__ = __mul__
+ def __add__(self, other): return self._main.values() + other
+ def __radd__(self, other): return other + self._main.values()
+
+ ## following methods not implemented for values ##
+ def __delitem__(self, i): raise TypeError('Can\'t delete items from values')
+ def __iadd__(self, other): raise TypeError('Can\'t add in place to values')
+ def __imul__(self, n): raise TypeError('Can\'t multiply values in place')
+ def append(self, item): raise TypeError('Can\'t append items to values')
+ def insert(self, i, item): raise TypeError('Can\'t insert items into values')
+ def pop(self, i=-1): raise TypeError('Can\'t pop items from values')
+ def remove(self, item): raise TypeError('Can\'t remove items from values')
+ def extend(self, other): raise TypeError('Can\'t extend values')
+
+class SequenceOrderedDict(OrderedDict):
+ """
+ Experimental version of OrderedDict that has a custom object for ``keys``,
+ ``values``, and ``items``.
+
+ These are callable sequence objects that work as methods, or can be
+ manipulated directly as sequences.
+
+ Test for ``keys``, ``items`` and ``values``.
+
+ >>> d = SequenceOrderedDict(((1, 2), (2, 3), (3, 4)))
+ >>> d
+ SequenceOrderedDict([(1, 2), (2, 3), (3, 4)])
+ >>> d.keys
+ [1, 2, 3]
+ >>> d.keys()
+ [1, 2, 3]
+ >>> d.setkeys((3, 2, 1))
+ >>> d
+ SequenceOrderedDict([(3, 4), (2, 3), (1, 2)])
+ >>> d.setkeys((1, 2, 3))
+ >>> d.keys[0]
+ 1
+ >>> d.keys[:]
+ [1, 2, 3]
+ >>> d.keys[-1]
+ 3
+ >>> d.keys[-2]
+ 2
+ >>> d.keys[0:2] = [2, 1]
+ >>> d
+ SequenceOrderedDict([(2, 3), (1, 2), (3, 4)])
+ >>> d.keys.reverse()
+ >>> d.keys
+ [3, 1, 2]
+ >>> d.keys = [1, 2, 3]
+ >>> d
+ SequenceOrderedDict([(1, 2), (2, 3), (3, 4)])
+ >>> d.keys = [3, 1, 2]
+ >>> d
+ SequenceOrderedDict([(3, 4), (1, 2), (2, 3)])
+ >>> a = SequenceOrderedDict()
+ >>> b = SequenceOrderedDict()
+ >>> a.keys == b.keys
+ 1
+ >>> a['a'] = 3
+ >>> a.keys == b.keys
+ 0
+ >>> b['a'] = 3
+ >>> a.keys == b.keys
+ 1
+ >>> b['b'] = 3
+ >>> a.keys == b.keys
+ 0
+ >>> a.keys > b.keys
+ 0
+ >>> a.keys < b.keys
+ 1
+ >>> 'a' in a.keys
+ 1
+ >>> len(b.keys)
+ 2
+ >>> 'c' in d.keys
+ 0
+ >>> 1 in d.keys
+ 1
+ >>> [v for v in d.keys]
+ [3, 1, 2]
+ >>> d.keys.sort()
+ >>> d.keys
+ [1, 2, 3]
+ >>> d = SequenceOrderedDict(((1, 2), (2, 3), (3, 4)), strict=True)
+ >>> d.keys[::-1] = [1, 2, 3]
+ >>> d
+ SequenceOrderedDict([(3, 4), (2, 3), (1, 2)])
+ >>> d.keys[:2]
+ [3, 2]
+ >>> d.keys[:2] = [1, 3]
+ Traceback (most recent call last):
+ KeyError: 'Keylist is not the same as current keylist.'
+
+ >>> d = SequenceOrderedDict(((1, 2), (2, 3), (3, 4)))
+ >>> d
+ SequenceOrderedDict([(1, 2), (2, 3), (3, 4)])
+ >>> d.values
+ [2, 3, 4]
+ >>> d.values()
+ [2, 3, 4]
+ >>> d.setvalues((4, 3, 2))
+ >>> d
+ SequenceOrderedDict([(1, 4), (2, 3), (3, 2)])
+ >>> d.values[::-1]
+ [2, 3, 4]
+ >>> d.values[0]
+ 4
+ >>> d.values[-2]
+ 3
+ >>> del d.values[0]
+ Traceback (most recent call last):
+ TypeError: Can't delete items from values
+ >>> d.values[::2] = [2, 4]
+ >>> d
+ SequenceOrderedDict([(1, 2), (2, 3), (3, 4)])
+ >>> 7 in d.values
+ 0
+ >>> len(d.values)
+ 3
+ >>> [val for val in d.values]
+ [2, 3, 4]
+ >>> d.values[-1] = 2
+ >>> d.values.count(2)
+ 2
+ >>> d.values.index(2)
+ 0
+ >>> d.values[-1] = 7
+ >>> d.values
+ [2, 3, 7]
+ >>> d.values.reverse()
+ >>> d.values
+ [7, 3, 2]
+ >>> d.values.sort()
+ >>> d.values
+ [2, 3, 7]
+ >>> d.values.append('anything')
+ Traceback (most recent call last):
+ TypeError: Can't append items to values
+ >>> d.values = (1, 2, 3)
+ >>> d
+ SequenceOrderedDict([(1, 1), (2, 2), (3, 3)])
+
+ >>> d = SequenceOrderedDict(((1, 2), (2, 3), (3, 4)))
+ >>> d
+ SequenceOrderedDict([(1, 2), (2, 3), (3, 4)])
+ >>> d.items()
+ [(1, 2), (2, 3), (3, 4)]
+ >>> d.setitems([(3, 4), (2 ,3), (1, 2)])
+ >>> d
+ SequenceOrderedDict([(3, 4), (2, 3), (1, 2)])
+ >>> d.items[0]
+ (3, 4)
+ >>> d.items[:-1]
+ [(3, 4), (2, 3)]
+ >>> d.items[1] = (6, 3)
+ >>> d.items
+ [(3, 4), (6, 3), (1, 2)]
+ >>> d.items[1:2] = [(9, 9)]
+ >>> d
+ SequenceOrderedDict([(3, 4), (9, 9), (1, 2)])
+ >>> del d.items[1:2]
+ >>> d
+ SequenceOrderedDict([(3, 4), (1, 2)])
+ >>> (3, 4) in d.items
+ 1
+ >>> (4, 3) in d.items
+ 0
+ >>> len(d.items)
+ 2
+ >>> [v for v in d.items]
+ [(3, 4), (1, 2)]
+ >>> d.items.count((3, 4))
+ 1
+ >>> d.items.index((1, 2))
+ 1
+ >>> d.items.index((2, 1))
+ Traceback (most recent call last):
+ ValueError: list.index(x): x not in list
+ >>> d.items.reverse()
+ >>> d.items
+ [(1, 2), (3, 4)]
+ >>> d.items.reverse()
+ >>> d.items.sort()
+ >>> d.items
+ [(1, 2), (3, 4)]
+ >>> d.items.append((5, 6))
+ >>> d.items
+ [(1, 2), (3, 4), (5, 6)]
+ >>> d.items.insert(0, (0, 0))
+ >>> d.items
+ [(0, 0), (1, 2), (3, 4), (5, 6)]
+ >>> d.items.insert(-1, (7, 8))
+ >>> d.items
+ [(0, 0), (1, 2), (3, 4), (7, 8), (5, 6)]
+ >>> d.items.pop()
+ (5, 6)
+ >>> d.items
+ [(0, 0), (1, 2), (3, 4), (7, 8)]
+ >>> d.items.remove((1, 2))
+ >>> d.items
+ [(0, 0), (3, 4), (7, 8)]
+ >>> d.items.extend([(1, 2), (5, 6)])
+ >>> d.items
+ [(0, 0), (3, 4), (7, 8), (1, 2), (5, 6)]
+ """
+
+ def __init__(self, init_val=(), strict=True):
+ OrderedDict.__init__(self, init_val, strict=strict)
+ self._keys = self.keys
+ self._values = self.values
+ self._items = self.items
+ self.keys = Keys(self)
+ self.values = Values(self)
+ self.items = Items(self)
+ self._att_dict = {
+ 'keys': self.setkeys,
+ 'items': self.setitems,
+ 'values': self.setvalues,
+ }
+
+ def __setattr__(self, name, value):
+ """Protect keys, items, and values."""
+ if not '_att_dict' in self.__dict__:
+ object.__setattr__(self, name, value)
+ else:
+ try:
+ fun = self._att_dict[name]
+ except KeyError:
+ OrderedDict.__setattr__(self, name, value)
+ else:
+ fun(value)
+
+if __name__ == '__main__':
+ if INTP_VER < (2, 3):
+ raise RuntimeError("Tests require Python v.2.3 or later")
+ # turn off warnings for tests
+ warnings.filterwarnings('ignore')
+ # run the code tests in doctest format
+ import doctest
+ m = sys.modules.get('__main__')
+ globs = m.__dict__.copy()
+ globs.update({
+ 'INTP_VER': INTP_VER,
+ })
+ doctest.testmod(m, globs=globs)
+
diff --git a/src/sas/sascalc/data_util/ordereddict.py b/src/sas/sascalc/data_util/ordereddict.py
new file mode 100644
index 0000000..c7eda05
--- /dev/null
+++ b/src/sas/sascalc/data_util/ordereddict.py
@@ -0,0 +1,128 @@
+#!/usr/bin/env python
+"""Backport from python2.7 to python <= 2.6."""
+
+from itertools import repeat as _repeat, chain as _chain, starmap as _starmap
+
+try:
+ from itertools import izip_longest as _zip_longest
+except ImportError:
+
+ from itertools import izip
+
+ def _zip_longest(*args, **kwds):
+ # izip_longest('ABCD', 'xy', fillvalue='-') --> Ax By C- D-
+ fillvalue = kwds.get('fillvalue')
+ def sentinel(counter = ([fillvalue]*(len(args)-1)).pop):
+ yield counter() # yields the fillvalue, or raises IndexError
+ fillers = _repeat(fillvalue)
+ iters = [_chain(it, sentinel(), fillers) for it in args]
+ try:
+ for tup in izip(*iters):
+ yield tup
+ except IndexError:
+ pass
+
+class OrderedDict(dict):
+
+ def __init__(self, *args, **kwds):
+ if len(args) > 1:
+ raise TypeError('expected at most 1 arguments, got %d' % len(args))
+ if not hasattr(self, '_keys'):
+ self._keys = []
+ self.update(*args, **kwds)
+
+ def clear(self):
+ del self._keys[:]
+ dict.clear(self)
+
+ def __setitem__(self, key, value):
+ if key not in self:
+ self._keys.append(key)
+ dict.__setitem__(self, key, value)
+
+ def __delitem__(self, key):
+ dict.__delitem__(self, key)
+ self._keys.remove(key)
+
+ def __iter__(self):
+ return iter(self._keys)
+
+ def __reversed__(self):
+ return reversed(self._keys)
+
+ def popitem(self):
+ if not self:
+ raise KeyError('dictionary is empty')
+ key = self._keys.pop()
+ value = dict.pop(self, key)
+ return key, value
+
+ def __reduce__(self):
+ items = [[k, self[k]] for k in self]
+ inst_dict = vars(self).copy()
+ inst_dict.pop('_keys', None)
+ return (self.__class__, (items,), inst_dict)
+
+ def setdefault(self, key, default=None):
+ try:
+ return self[key]
+ except KeyError:
+ self[key] = default
+ return default
+
+ def update(self, other=(), **kwds):
+ if hasattr(other, "keys"):
+ for key in other.keys():
+ self[key] = other[key]
+ else:
+ for key, value in other:
+ self[key] = value
+ for key, value in kwds.items():
+ self[key] = value
+
+ __marker = object()
+
+ def pop(self, key, default=__marker):
+ try:
+ value = self[key]
+ except KeyError:
+ if default is self.__marker:
+ raise
+ return default
+ else:
+ del self[key]
+ return value
+
+ def keys(self):
+ return list(self)
+
+ def values(self):
+ return [self[key] for key in self]
+
+ def items(self):
+ return [(key, self[key]) for key in self]
+
+ def __repr__(self):
+ if not self:
+ return '%s()' % (self.__class__.__name__,)
+ return '%s(%r)' % (self.__class__.__name__, list(self.items()))
+
+ def copy(self):
+ return self.__class__(self)
+
+ @classmethod
+ def fromkeys(cls, iterable, value=None):
+ d = cls()
+ for key in iterable:
+ d[key] = value
+ return d
+
+ def __eq__(self, other):
+ if isinstance(other, OrderedDict):
+ return all(p==q for p, q in _zip_longest(self.items(), other.items()))
+ return dict.__eq__(self, other)
+
+
+
+# End class OrderedDict
+
diff --git a/src/sas/sascalc/data_util/ordereddicttest.py b/src/sas/sascalc/data_util/ordereddicttest.py
new file mode 100644
index 0000000..f732f79
--- /dev/null
+++ b/src/sas/sascalc/data_util/ordereddicttest.py
@@ -0,0 +1,186 @@
+#!/usr/bin/env python
+
+from random import shuffle
+import copy
+import inspect
+import pickle
+import unittest
+
+
+from ordereddict import OrderedDict
+
+
+class TestOrderedDict(unittest.TestCase):
+
+ def test_init(self):
+ self.assertRaises(TypeError, OrderedDict, ([('a', 1), ('b', 2)], None))
+ # too many args
+ pairs = [('a', 1), ('b', 2), ('c', 3), ('d', 4), ('e', 5)]
+ self.assertEqual(sorted(OrderedDict(dict(pairs)).items()), pairs) # dict input
+ self.assertEqual(sorted(OrderedDict(**dict(pairs)).items()), pairs) # kwds input
+ self.assertEqual(list(OrderedDict(pairs).items()), pairs) # pairs input
+ self.assertEqual(list(OrderedDict([('a', 1), ('b', 2), ('c', 9), ('d', 4)],
+ c=3, e=5).items()), pairs) # mixed input
+
+ # make sure no positional args conflict with possible kwdargs
+ self.assertEqual(inspect.getargspec(OrderedDict.__dict__['__init__'])[0],
+ ['self'])
+
+ # Make sure that direct calls to __init__ do not clear previous contents
+ d = OrderedDict([('a', 1), ('b', 2), ('c', 3), ('d', 44), ('e', 55)])
+ d.__init__([('e', 5), ('f', 6)], g=7, d=4)
+ self.assertEqual(list(d.items()),
+ [('a', 1), ('b', 2), ('c', 3), ('d', 4), ('e', 5), ('f', 6), ('g', 7)])
+
+ def test_update(self):
+ self.assertRaises(TypeError, OrderedDict().update, [('a', 1), ('b',
+ 2)], None) # too many args
+ pairs = [('a', 1), ('b', 2), ('c', 3), ('d', 4), ('e', 5)]
+ od = OrderedDict()
+ od.update(dict(pairs))
+ self.assertEqual(sorted(od.items()), pairs) # dict input
+ od = OrderedDict()
+ od.update(**dict(pairs))
+ self.assertEqual(sorted(od.items()), pairs) # kwds input
+ od = OrderedDict()
+ od.update(pairs)
+ self.assertEqual(list(od.items()), pairs) # pairs input
+ od = OrderedDict()
+ od.update([('a', 1), ('b', 2), ('c', 9), ('d', 4)], c=3, e=5)
+ self.assertEqual(list(od.items()), pairs) # mixed input
+
+ # Make sure that direct calls to update do not clear previous contents
+ # add that updates items are not moved to the end
+ d = OrderedDict([('a', 1), ('b', 2), ('c', 3), ('d', 44), ('e', 55)])
+ d.update([('e', 5), ('f', 6)], g=7, d=4)
+ self.assertEqual(list(d.items()),
+ [('a', 1), ('b', 2), ('c', 3), ('d', 4), ('e', 5), ('f', 6), ('g', 7)])
+
+ def test_clear(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ shuffle(pairs)
+ od = OrderedDict(pairs)
+ self.assertEqual(len(od), len(pairs))
+ od.clear()
+ self.assertEqual(len(od), 0)
+
+ def test_delitem(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ od = OrderedDict(pairs)
+ del od['a']
+ self.assert_('a' not in od)
+ self.assertRaises(KeyError, od.__delitem__, 'a')
+ self.assertEqual(list(od.items()), pairs[:2] + pairs[3:])
+
+ def test_setitem(self):
+ od = OrderedDict([('d', 1), ('b', 2), ('c', 3), ('a', 4), ('e', 5)])
+ od['c'] = 10 # existing element
+ od['f'] = 20 # new element
+ self.assertEqual(list(od.items()),
+ [('d', 1), ('b', 2), ('c', 10), ('a', 4), ('e', 5), ('f', 20)])
+
+ def test_iterators(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ shuffle(pairs)
+ od = OrderedDict(pairs)
+ self.assertEqual(list(od), [t[0] for t in pairs])
+ self.assertEqual(list(od.keys()), [t[0] for t in pairs])
+ self.assertEqual(list(od.values()), [t[1] for t in pairs])
+ self.assertEqual(list(od.items()), pairs)
+ self.assertEqual(list(reversed(od)),
+ [t[0] for t in reversed(pairs)])
+
+ def test_popitem(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ shuffle(pairs)
+ od = OrderedDict(pairs)
+ while pairs:
+ self.assertEqual(od.popitem(), pairs.pop())
+ self.assertRaises(KeyError, od.popitem)
+ self.assertEqual(len(od), 0)
+
+ def test_pop(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ shuffle(pairs)
+ od = OrderedDict(pairs)
+ shuffle(pairs)
+ while pairs:
+ k, v = pairs.pop()
+ self.assertEqual(od.pop(k), v)
+ self.assertRaises(KeyError, od.pop, 'xyz')
+ self.assertEqual(len(od), 0)
+ self.assertEqual(od.pop(k, 12345), 12345)
+
+ def test_equality(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ shuffle(pairs)
+ od1 = OrderedDict(pairs)
+ od2 = OrderedDict(pairs)
+ self.assertEqual(od1, od2) # same order implies equality
+ pairs = pairs[2:] + pairs[:2]
+ od2 = OrderedDict(pairs)
+ self.assertNotEqual(od1, od2) # different order implies inequality
+ # comparison to regular dict is not order sensitive
+ self.assertEqual(od1, dict(od2))
+ self.assertEqual(dict(od2), od1)
+ # different length implied inequality
+ self.assertNotEqual(od1, OrderedDict(pairs[:-1]))
+
+ def test_copying(self):
+ # Check that ordered dicts are copyable, deepcopyable, picklable,
+ # and have a repr/eval round-trip
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ od = OrderedDict(pairs)
+ update_test = OrderedDict()
+ update_test.update(od)
+ for i, dup in enumerate([
+ od.copy(),
+ copy.copy(od),
+ copy.deepcopy(od),
+ pickle.loads(pickle.dumps(od, 0)),
+ pickle.loads(pickle.dumps(od, 1)),
+ pickle.loads(pickle.dumps(od, 2)),
+ pickle.loads(pickle.dumps(od, -1)),
+ eval(repr(od)),
+ update_test,
+ OrderedDict(od),
+ ]):
+ self.assert_(dup is not od)
+ self.assertEquals(dup, od)
+ self.assertEquals(list(dup.items()), list(od.items()))
+ self.assertEquals(len(dup), len(od))
+ self.assertEquals(type(dup), type(od))
+
+ def test_repr(self):
+ od = OrderedDict([('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)])
+ self.assertEqual(repr(od),
+ "OrderedDict([('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)])")
+ self.assertEqual(eval(repr(od)), od)
+ self.assertEqual(repr(OrderedDict()), "OrderedDict()")
+
+ def test_setdefault(self):
+ pairs = [('c', 1), ('b', 2), ('a', 3), ('d', 4), ('e', 5), ('f', 6)]
+ shuffle(pairs)
+ od = OrderedDict(pairs)
+ pair_order = list(od.items())
+ self.assertEqual(od.setdefault('a', 10), 3)
+ # make sure order didn't change
+ self.assertEqual(list(od.items()), pair_order)
+ self.assertEqual(od.setdefault('x', 10), 10)
+ # make sure 'x' is added to the end
+ self.assertEqual(list(od.items())[-1], ('x', 10))
+
+ def test_reinsert(self):
+ # Given insert a, insert b, delete a, re-insert a,
+ # verify that a is now later than b.
+ od = OrderedDict()
+ od['a'] = 1
+ od['b'] = 2
+ del od['a']
+ od['a'] = 1
+ self.assertEqual(list(od.items()), [('b', 2), ('a', 1)])
+
+if __name__ == "__main__":
+
+ unittest.main()
+
diff --git a/src/sas/sascalc/data_util/pathutils.py b/src/sas/sascalc/data_util/pathutils.py
new file mode 100644
index 0000000..5a1385a
--- /dev/null
+++ b/src/sas/sascalc/data_util/pathutils.py
@@ -0,0 +1,49 @@
+#!/usr/bin/env python
+"""
+Utilities for path manipulation. Not to be confused with the pathutils module
+from the pythonutils package (http://groups.google.com/group/pythonutils).
+"""
+
+# NOTE: If enough of _that_ pathutils functionality is required, we can switch
+# this module for that one.
+
+# TODO: Make algorithm more robust and complete; consider using abspath.
+
+__all__ = ['relpath']
+
+from os.path import join
+from os.path import sep
+
+def relpath(p1, p2):
+ """Compute the relative path of p1 with respect to p2."""
+
+ def commonpath(L1, L2, common=[]):
+ if len(L1) < 1: return (common, L1, L2)
+ if len(L2) < 1: return (common, L1, L2)
+ if L1[0] != L2[0]: return (common, L1, L2)
+ return commonpath(L1[1:], L2[1:], common=common+[L1[0]])
+
+ # if the strings are equal, then return "."
+ if p1 == p2: return "."
+ (common,L1,L2) = commonpath(p2.split(sep), p1.split(sep))
+ # if there is nothing in common, then return an empty string
+ if not common: return ""
+ # otherwise, replace the common pieces with "../" (or "..\")
+ p = [(".."+sep) * len(L1)] + L2
+ return join(*p)
+
+def test():
+ p1 = sep.join(["a","b","c","d"])
+ p2 = sep.join(["a","b","c1","d1"])
+ p3 = sep.join(["a","b","c","d","e"])
+ p4 = sep.join(["a","b","c","d1","e"])
+ p5 = sep.join(["w","x","y","z"])
+
+ assert relpath(p1, p1) == "."
+ assert relpath(p2, p1) == sep.join(["..", "..", "c1", "d1"])
+ assert relpath(p3, p1) == "e"
+ assert relpath(p4, p1) == sep.join(["..", "d1", "e"])
+ assert relpath(p5, p1) == ""
+
+if __name__ == '__main__':
+ test()
diff --git a/src/sas/sascalc/data_util/qsmearing.py b/src/sas/sascalc/data_util/qsmearing.py
new file mode 100644
index 0000000..938b6c5
--- /dev/null
+++ b/src/sas/sascalc/data_util/qsmearing.py
@@ -0,0 +1,249 @@
+"""
+ Handle Q smearing
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+import numpy
+import math
+import logging
+import sys
+
+import numpy as np # type: ignore
+from numpy import pi, exp # type:ignore
+
+from sasmodels.resolution import Slit1D, Pinhole1D
+from sasmodels.sesans import SesansTransform
+from sasmodels.resolution2d import Pinhole2D
+from .nxsunit import Converter
+
+def smear_selection(data, model = None):
+ """
+ Creates the right type of smearer according
+ to the data.
+ The canSAS format has a rule that either
+ slit smearing data OR resolution smearing data
+ is available.
+
+ For the present purpose, we choose the one that
+ has none-zero data. If both slit and resolution
+ smearing arrays are filled with good data
+ (which should not happen), then we choose the
+ resolution smearing data.
+
+ :param data: Data1D object
+ :param model: sas.model instance
+ """
+ # Sanity check. If we are not dealing with a SAS Data1D
+ # object, just return None
+ # This checks for 2D data (does not throw exception because fail is common)
+ if data.__class__.__name__ not in ['Data1D', 'Theory1D']:
+ if data == None:
+ return None
+ elif data.dqx_data == None or data.dqy_data == None:
+ return None
+ return PySmear2D(data)
+ # This checks for 1D data with smearing info in the data itself (again, fail is likely; no exceptions)
+ if not hasattr(data, "dx") and not hasattr(data, "dxl")\
+ and not hasattr(data, "dxw"):
+ return None
+
+ # Look for resolution smearing data
+ # This is the code that checks for SESANS data; it looks for the file loader
+ # TODO: change other sanity checks to check for file loader instead of data structure?
+ _found_sesans = False
+ #if data.dx is not None and data.meta_data['loader']=='SESANS':
+ if data.dx is not None and data.isSesans:
+ #if data.dx[0] > 0.0:
+ if numpy.size(data.dx[data.dx <= 0]) == 0:
+ _found_sesans = True
+ # if data.dx[0] <= 0.0:
+ if numpy.size(data.dx[data.dx <= 0]) > 0:
+ raise ValueError('one or more of your dx values are negative, please check the data file!')
+
+ if _found_sesans == True:
+ #Pre-compute the Hankel matrix (H)
+ qmax, qunits = data.sample.zacceptance
+ SElength = Converter(data._xunit)(data.x, "A")
+ zaccept = Converter(qunits)(qmax, "1/A"),
+ Rmax = 10000000
+ hankel = SesansTransform(data.x, SElength, zaccept, Rmax)
+ # Then return the actual transform, as if it were a smearing function
+ return PySmear(hankel, model, offset=0)
+
+ _found_resolution = False
+ if data.dx is not None and len(data.dx) == len(data.x):
+
+ # Check that we have non-zero data
+ if data.dx[0] > 0.0:
+ _found_resolution = True
+ #print "_found_resolution",_found_resolution
+ #print "data1D.dx[0]",data1D.dx[0],data1D.dxl[0]
+ # If we found resolution smearing data, return a QSmearer
+ if _found_resolution == True:
+ return pinhole_smear(data, model)
+
+ # Look for slit smearing data
+ _found_slit = False
+ if data.dxl is not None and len(data.dxl) == len(data.x) \
+ and data.dxw is not None and len(data.dxw) == len(data.x):
+
+ # Check that we have non-zero data
+ if data.dxl[0] > 0.0 or data.dxw[0] > 0.0:
+ _found_slit = True
+
+ # Sanity check: all data should be the same as a function of Q
+ for item in data.dxl:
+ if data.dxl[0] != item:
+ _found_resolution = False
+ break
+
+ for item in data.dxw:
+ if data.dxw[0] != item:
+ _found_resolution = False
+ break
+ # If we found slit smearing data, return a slit smearer
+ if _found_slit == True:
+ return slit_smear(data, model)
+ return None
+
+
+class PySmear(object):
+ """
+ Wrapper for pure python sasmodels resolution functions.
+ """
+ def __init__(self, resolution, model, offset=None):
+ self.model = model
+ self.resolution = resolution
+ if offset is None:
+ offset = numpy.searchsorted(self.resolution.q_calc, self.resolution.q[0])
+ self.offset = offset
+
+ def apply(self, iq_in, first_bin=0, last_bin=None):
+ """
+ Apply the resolution function to the data.
+ Note that this is called with iq_in matching data.x, but with
+ iq_in[first_bin:last_bin] set to theory values for these bins,
+ and the remainder left undefined. The first_bin, last_bin values
+ should be those returned from get_bin_range.
+ The returned value is of the same length as iq_in, with the range
+ first_bin:last_bin set to the resolution smeared values.
+ """
+ if last_bin is None: last_bin = len(iq_in)
+ start, end = first_bin + self.offset, last_bin + self.offset
+ q_calc = self.resolution.q_calc
+ iq_calc = numpy.empty_like(q_calc)
+ if start > 0:
+ iq_calc[:start] = self.model.evalDistribution(q_calc[:start])
+ if end+1 < len(q_calc):
+ iq_calc[end+1:] = self.model.evalDistribution(q_calc[end+1:])
+ iq_calc[start:end+1] = iq_in[first_bin:last_bin+1]
+ smeared = self.resolution.apply(iq_calc)
+ return smeared
+ __call__ = apply
+
+ def get_bin_range(self, q_min=None, q_max=None):
+ """
+ For a given q_min, q_max, find the corresponding indices in the data.
+ Returns first, last.
+ Note that these are indexes into q from the data, not the q_calc
+ needed by the resolution function. Note also that these are the
+ indices, not the range limits. That is, the complete range will be
+ q[first:last+1].
+ """
+ q = self.resolution.q
+ first = numpy.searchsorted(q, q_min)
+ last = numpy.searchsorted(q, q_max)
+ return first, min(last,len(q)-1)
+
+def slit_smear(data, model=None):
+ q = data.x
+ width = data.dxw if data.dxw is not None else 0
+ height = data.dxl if data.dxl is not None else 0
+ # TODO: width and height seem to be reversed
+ return PySmear(Slit1D(q, height, width), model)
+
+def pinhole_smear(data, model=None):
+ q = data.x
+ width = data.dx if data.dx is not None else 0
+ return PySmear(Pinhole1D(q, width), model)
+
+
+class PySmear2D(object):
+ """
+ Q smearing class for SAS 2d pinhole data
+ """
+
+ def __init__(self, data=None, model=None):
+ self.data = data
+ self.model = model
+ self.accuracy = 'Low'
+ self.limit = 3.0
+ self.index = None
+ self.coords = 'polar'
+ self.smearer = True
+
+ def set_accuracy(self, accuracy='Low'):
+ """
+ Set accuracy.
+
+ :param accuracy: string
+ """
+ self.accuracy = accuracy
+
+ def set_smearer(self, smearer=True):
+ """
+ Set whether or not smearer will be used
+
+ :param smearer: smear object
+
+ """
+ self.smearer = smearer
+
+ def set_data(self, data=None):
+ """
+ Set data.
+
+ :param data: DataLoader.Data_info type
+ """
+ self.data = data
+
+ def set_model(self, model=None):
+ """
+ Set model.
+
+ :param model: sas.models instance
+ """
+ self.model = model
+
+ def set_index(self, index=None):
+ """
+ Set index.
+
+ :param index: 1d arrays
+ """
+ self.index = index
+
+ def get_value(self):
+ """
+ Over sampling of r_nbins times phi_nbins, calculate Gaussian weights,
+ then find smeared intensity
+ """
+ if self.smearer:
+ res = Pinhole2D(data=self.data, index=self.index,
+ nsigma=3.0, accuracy=self.accuracy,
+ coords=self.coords)
+ val = self.model.evalDistribution(res.q_calc)
+ return res.apply(val)
+ else:
+ index = self.index if self.index is not None else slice(None)
+ qx_data = self.data.qx_data[index]
+ qy_data = self.data.qy_data[index]
+ q_calc = [qx_data, qy_data]
+ val = self.model.evalDistribution(q_calc)
+ return val
+
diff --git a/src/sas/sascalc/data_util/registry.py b/src/sas/sascalc/data_util/registry.py
new file mode 100644
index 0000000..19a8d0f
--- /dev/null
+++ b/src/sas/sascalc/data_util/registry.py
@@ -0,0 +1,174 @@
+# This program is public domain
+"""
+File extension registry.
+
+This provides routines for opening files based on extension,
+and registers the built-in file extensions.
+"""
+
+import os.path
+
+class ExtensionRegistry(object):
+ """
+ Associate a file loader with an extension.
+
+ Note that there may be multiple loaders for the same extension.
+
+ Example: ::
+
+ registry = ExtensionRegistry()
+
+ # Add an association by setting an element
+ registry['.zip'] = unzip
+
+ # Multiple extensions for one loader
+ registry['.tgz'] = untar
+ registry['.tar.gz'] = untar
+
+ # Generic extensions to use after trying more specific extensions;
+ # these will be checked after the more specific extensions fail.
+ registry['.gz'] = gunzip
+
+ # Multiple loaders for one extension
+ registry['.cx'] = cx1
+ registry['.cx'] = cx2
+ registry['.cx'] = cx3
+
+ # Show registered extensions
+ print registry.extensions()
+
+ # Can also register a format name for explicit control from caller
+ registry['cx3'] = cx3
+ print registry.formats()
+
+ # Retrieve loaders for a file name
+ registry.lookup('hello.cx') -> [cx3,cx2,cx1]
+
+ # Run loader on a filename
+ registry.load('hello.cx') ->
+ try:
+ return cx3('hello.cx')
+ except:
+ try:
+ return cx2('hello.cx')
+ except:
+ return cx1('hello.cx')
+
+ # Load in a specific format ignoring extension
+ registry.load('hello.cx',format='cx3') ->
+ return cx3('hello.cx')
+ """
+ def __init__(self, **kw):
+ self.loaders = {}
+ def __setitem__(self, ext, loader):
+ if ext not in self.loaders:
+ self.loaders[ext] = []
+ self.loaders[ext].insert(0,loader)
+ def __getitem__(self, ext):
+ return self.loaders[ext]
+ def __contains__(self, ext):
+ return ext in self.loaders
+ def formats(self):
+ """
+ Return a sorted list of the registered formats.
+ """
+ names = [a for a in self.loaders.keys() if not a.startswith('.')]
+ names.sort()
+ return names
+ def extensions(self):
+ """
+ Return a sorted list of registered extensions.
+ """
+ exts = [a for a in self.loaders.keys() if a.startswith('.')]
+ exts.sort()
+ return exts
+ def lookup(self, path):
+ """
+ Return the loader associated with the file type of path.
+
+ Raises ValueError if file type is not known.
+ """
+ # Find matching extensions
+ extlist = [ext for ext in self.extensions() if path.endswith(ext)]
+ # Sort matching extensions by decreasing order of length
+ extlist.sort(lambda a,b: len(a)<len(b))
+ # Combine loaders for matching extensions into one big list
+ loaders = []
+ for L in [self.loaders[ext] for ext in extlist]:
+ loaders.extend(L)
+ # Remove duplicates if they exist
+ if len(loaders) != len(set(loaders)):
+ result = []
+ for L in loaders:
+ if L not in result: result.append(L)
+ loaders = L
+ # Raise an error if there are no matching extensions
+ if len(loaders) == 0:
+ raise ValueError, "Unknown file type for "+path
+ # All done
+ return loaders
+ def load(self, path, format=None):
+ """
+ Call the loader for the file type of path.
+
+ Raises ValueError if no loader is available.
+ Raises KeyError if format is not available.
+ May raise a loader-defined exception if loader fails.
+ """
+ if format is None:
+ loaders = self.lookup(path)
+ else:
+ loaders = self.loaders[format]
+ for fn in loaders:
+ try:
+ return fn(path)
+ except:
+ pass # give other loaders a chance to succeed
+ # If we get here it is because all loaders failed
+ raise # reraises last exception
+
+def test():
+ reg = ExtensionRegistry()
+ class CxError(Exception): pass
+ def cx(file): return 'cx'
+ def new_cx(file): return 'new_cx'
+ def fail_cx(file): raise CxError
+ def cat(file): return 'cat'
+ def gunzip(file): return 'gunzip'
+ reg['.cx'] = cx
+ reg['.cx1'] = cx
+ reg['.cx'] = new_cx
+ reg['.gz'] = gunzip
+ reg['.cx.gz'] = new_cx
+ reg['.cx1.gz'] = fail_cx
+ reg['.cx1'] = fail_cx
+ reg['.cx2'] = fail_cx
+ reg['new_cx'] = new_cx
+
+ # Two loaders associated with .cx
+ assert reg.lookup('hello.cx') == [new_cx,cx]
+ # Make sure the last loader applies first
+ assert reg.load('hello.cx') == 'new_cx'
+ # Make sure the next loader applies if the first fails
+ assert reg.load('hello.cx1') == 'cx'
+ # Make sure the format override works
+ assert reg.load('hello.cx1',format='.cx.gz') == 'new_cx'
+ # Make sure the format override works
+ assert reg.load('hello.cx1',format='new_cx') == 'new_cx'
+ # Make sure the case of all loaders failing is correct
+ try: reg.load('hello.cx2')
+ except CxError: pass # correct failure
+ else: raise AssertError,"Incorrect error on load failure"
+ # Make sure the case of no loaders fails correctly
+ try: reg.load('hello.missing')
+ except ValueError,msg:
+ assert str(msg)=="Unknown file type for hello.missing",'Message: <%s>'%(msg)
+ else: raise AssertError,"No error raised for missing extension"
+ assert reg.formats() == ['new_cx']
+ assert reg.extensions() == ['.cx','.cx.gz','.cx1','.cx1.gz','.cx2','.gz']
+ # make sure that it supports multiple '.' in filename
+ assert reg.load('hello.extra.cx1') == 'cx'
+ assert reg.load('hello.gz') == 'gunzip'
+ assert reg.load('hello.cx1.gz') == 'gunzip' # Since .cx1.gz fails
+
+if __name__ == "__main__": test()
diff --git a/src/sas/sascalc/data_util/release_notes.txt b/src/sas/sascalc/data_util/release_notes.txt
new file mode 100644
index 0000000..d85e9dd
--- /dev/null
+++ b/src/sas/sascalc/data_util/release_notes.txt
@@ -0,0 +1,60 @@
+Release Notes
+=============
+
+Package name: data_util 0.1.5
+
+1- Version 0.1.5
+ - Release date: 28/4/2010
+ - Added OrderedDict (backport from 2.7)
+ - Improved NeXus unit support
+ - Number/uncertainty formats fixes
+
+ Version 0.1.2
+ - Release date: 7/4/2009
+ - Added calcthread
+
+ Version 0.1.1
+ - Release date: 4/21/2009
+
+ Version 0.1
+ - Release date: 8/1/2008
+ - Contains useful data handling utilities from reflectometry group.
+
+2- Downloading and Installing
+
+ 2.1- System Requirements:
+ - Python version >= 2.4 should be running on the system
+
+ 2.2- Installing:
+ - Get the code from svn://danse.us/common/releases/data_util-0.1.1
+ - The following modules are required:
+ * numpy
+
+3- Known Issues
+
+ 3.1- All systems:
+ - None
+
+ 3.2- Windows:
+ - None
+
+ 3.3- Linux:
+ - None
+
+4- Troubleshooting
+
+ - None
+
+5- Frequently Asked Questions
+
+ - None
+
+6- Other Resources
+
+ - None
+
+
+
+
+
+
diff --git a/src/sas/sascalc/data_util/uncertainty.py b/src/sas/sascalc/data_util/uncertainty.py
new file mode 100644
index 0000000..8fccbbe
--- /dev/null
+++ b/src/sas/sascalc/data_util/uncertainty.py
@@ -0,0 +1,316 @@
+r"""
+Uncertainty propagation class for arithmetic, log and exp.
+
+Based on scalars or numpy vectors, this class allows you to store and
+manipulate values+uncertainties, with propagation of gaussian error for
+addition, subtraction, multiplication, division, power, exp and log.
+
+Storage properties are determined by the numbers used to set the value
+and uncertainty. Be sure to use floating point uncertainty vectors
+for inplace operations since numpy does not do automatic type conversion.
+Normal operations can use mixed integer and floating point. In place
+operations such as *a \*= b* create at most one extra copy for each operation.
+By contrast, *c = a\*b* uses four intermediate vectors, so shouldn't be used
+for huge arrays.
+"""
+
+from __future__ import division
+
+import numpy
+import err1d
+from formatnum import format_uncertainty
+
+__all__ = ['Uncertainty']
+
+# TODO: rename to Measurement and add support for units?
+# TODO: C implementation of *,/,**?
+class Uncertainty(object):
+ # Make standard deviation available
+ def _getdx(self): return numpy.sqrt(self.variance)
+ def _setdx(self,dx):
+ # Direct operation
+ # variance = dx**2
+ # Indirect operation to avoid temporaries
+ self.variance[:] = dx
+ self.variance **= 2
+ dx = property(_getdx,_setdx,doc="standard deviation")
+
+ # Constructor
+ def __init__(self, x, variance=None):
+ self.x, self.variance = x, variance
+
+ # Numpy array slicing operations
+ def __len__(self):
+ return len(self.x)
+ def __getitem__(self,key):
+ return Uncertainty(self.x[key],self.variance[key])
+ def __setitem__(self,key,value):
+ self.x[key] = value.x
+ self.variance[key] = value.variance
+ def __delitem__(self, key):
+ del self.x[key]
+ del self.variance[key]
+ #def __iter__(self): pass # Not sure we need iter
+
+ # Normal operations: may be of mixed type
+ def __add__(self, other):
+ if isinstance(other,Uncertainty):
+ return Uncertainty(*err1d.add(self.x,self.variance,other.x,other.variance))
+ else:
+ return Uncertainty(self.x+other, self.variance+0) # Force copy
+ def __sub__(self, other):
+ if isinstance(other,Uncertainty):
+ return Uncertainty(*err1d.sub(self.x,self.variance,other.x,other.variance))
+ else:
+ return Uncertainty(self.x-other, self.variance+0) # Force copy
+ def __mul__(self, other):
+ if isinstance(other,Uncertainty):
+ return Uncertainty(*err1d.mul(self.x,self.variance,other.x,other.variance))
+ else:
+ return Uncertainty(self.x*other, self.variance*other**2)
+ def __truediv__(self, other):
+ if isinstance(other,Uncertainty):
+ return Uncertainty(*err1d.div(self.x,self.variance,other.x,other.variance))
+ else:
+ return Uncertainty(self.x/other, self.variance/other**2)
+ def __pow__(self, other):
+ if isinstance(other,Uncertainty):
+ # Haven't calcuated variance in (a+/-da) ** (b+/-db)
+ return NotImplemented
+ else:
+ return Uncertainty(*err1d.pow(self.x,self.variance,other))
+
+ # Reverse operations
+ def __radd__(self, other):
+ return Uncertainty(self.x+other, self.variance+0) # Force copy
+ def __rsub__(self, other):
+ return Uncertainty(other-self.x, self.variance+0)
+ def __rmul__(self, other):
+ return Uncertainty(self.x*other, self.variance*other**2)
+ def __rtruediv__(self, other):
+ x,variance = err1d.pow(self.x,self.variance,-1)
+ return Uncertainty(x*other,variance*other**2)
+ def __rpow__(self, other): return NotImplemented
+
+ # In-place operations: may be of mixed type
+ def __iadd__(self, other):
+ if isinstance(other,Uncertainty):
+ self.x,self.variance \
+ = err1d.add_inplace(self.x,self.variance,other.x,other.variance)
+ else:
+ self.x+=other
+ return self
+ def __isub__(self, other):
+ if isinstance(other,Uncertainty):
+ self.x,self.variance \
+ = err1d.sub_inplace(self.x,self.variance,other.x,other.variance)
+ else:
+ self.x-=other
+ return self
+ def __imul__(self, other):
+ if isinstance(other,Uncertainty):
+ self.x, self.variance \
+ = err1d.mul_inplace(self.x,self.variance,other.x,other.variance)
+ else:
+ self.x *= other
+ self.variance *= other**2
+ return self
+ def __itruediv__(self, other):
+ if isinstance(other,Uncertainty):
+ self.x,self.variance \
+ = err1d.div_inplace(self.x,self.variance,other.x,other.variance)
+ else:
+ self.x /= other
+ self.variance /= other**2
+ return self
+ def __ipow__(self, other):
+ if isinstance(other,Uncertainty):
+ # Haven't calcuated variance in (a+/-da) ** (b+/-db)
+ return NotImplemented
+ else:
+ self.x,self.variance = err1d.pow_inplace(self.x, self.variance, other)
+ return self
+
+ # Use true division instead of integer division
+ def __div__(self, other): return self.__truediv__(other)
+ def __rdiv__(self, other): return self.__rtruediv__(other)
+ def __idiv__(self, other): return self.__itruediv__(other)
+
+
+ # Unary ops
+ def __neg__(self):
+ return Uncertainty(-self.x,self.variance)
+ def __pos__(self):
+ return self
+ def __abs__(self):
+ return Uncertainty(numpy.abs(self.x),self.variance)
+
+ def __str__(self):
+ #return str(self.x)+" +/- "+str(numpy.sqrt(self.variance))
+ if numpy.isscalar(self.x):
+ return format_uncertainty(self.x,numpy.sqrt(self.variance))
+ else:
+ return [format_uncertainty(v,dv)
+ for v,dv in zip(self.x,numpy.sqrt(self.variance))]
+ def __repr__(self):
+ return "Uncertainty(%s,%s)"%(str(self.x),str(self.variance))
+
+ # Not implemented
+ def __floordiv__(self, other): return NotImplemented
+ def __mod__(self, other): return NotImplemented
+ def __divmod__(self, other): return NotImplemented
+ def __mod__(self, other): return NotImplemented
+ def __lshift__(self, other): return NotImplemented
+ def __rshift__(self, other): return NotImplemented
+ def __and__(self, other): return NotImplemented
+ def __xor__(self, other): return NotImplemented
+ def __or__(self, other): return NotImplemented
+
+ def __rfloordiv__(self, other): return NotImplemented
+ def __rmod__(self, other): return NotImplemented
+ def __rdivmod__(self, other): return NotImplemented
+ def __rmod__(self, other): return NotImplemented
+ def __rlshift__(self, other): return NotImplemented
+ def __rrshift__(self, other): return NotImplemented
+ def __rand__(self, other): return NotImplemented
+ def __rxor__(self, other): return NotImplemented
+ def __ror__(self, other): return NotImplemented
+
+ def __ifloordiv__(self, other): return NotImplemented
+ def __imod__(self, other): return NotImplemented
+ def __idivmod__(self, other): return NotImplemented
+ def __imod__(self, other): return NotImplemented
+ def __ilshift__(self, other): return NotImplemented
+ def __irshift__(self, other): return NotImplemented
+ def __iand__(self, other): return NotImplemented
+ def __ixor__(self, other): return NotImplemented
+ def __ior__(self, other): return NotImplemented
+
+ def __invert__(self): return NotImplmented # For ~x
+ def __complex__(self): return NotImplmented
+ def __int__(self): return NotImplmented
+ def __long__(self): return NotImplmented
+ def __float__(self): return NotImplmented
+ def __oct__(self): return NotImplmented
+ def __hex__(self): return NotImplmented
+ def __index__(self): return NotImplmented
+ def __coerce__(self): return NotImplmented
+
+ def log(self):
+ return Uncertainty(*err1d.log(self.x,self.variance))
+
+ def exp(self):
+ return Uncertainty(*err1d.exp(self.x,self.variance))
+
+def log(val): return self.log()
+def exp(val): return self.exp()
+
+def test():
+ a = Uncertainty(5,3)
+ b = Uncertainty(4,2)
+
+ # Scalar operations
+ z = a+4
+ assert z.x == 5+4 and z.variance == 3
+ z = a-4
+ assert z.x == 5-4 and z.variance == 3
+ z = a*4
+ assert z.x == 5*4 and z.variance == 3*4**2
+ z = a/4
+ assert z.x == 5./4 and z.variance == 3./4**2
+
+ # Reverse scalar operations
+ z = 4+a
+ assert z.x == 4+5 and z.variance == 3
+ z = 4-a
+ assert z.x == 4-5 and z.variance == 3
+ z = 4*a
+ assert z.x == 4*5 and z.variance == 3*4**2
+ z = 4/a
+ assert z.x == 4./5 and abs(z.variance - 3./5**4 * 4**2) < 1e-15
+
+ # Power operations
+ z = a**2
+ assert z.x == 5**2 and z.variance == 4*3*5**2
+ z = a**1
+ assert z.x == 5**1 and z.variance == 3
+ z = a**0
+ assert z.x == 5**0 and z.variance == 0
+ z = a**-1
+ assert z.x == 5**-1 and abs(z.variance - 3./5**4) < 1e-15
+
+ # Binary operations
+ z = a+b
+ assert z.x == 5+4 and z.variance == 3+2
+ z = a-b
+ assert z.x == 5-4 and z.variance == 3+2
+ z = a*b
+ assert z.x == 5*4 and z.variance == (5**2*2 + 4**2*3)
+ z = a/b
+ assert z.x == 5./4 and abs(z.variance - (3./5**2 + 2./4**2)*(5./4)**2) < 1e-15
+
+ # ===== Inplace operations =====
+ # Scalar operations
+ y = a+0; y += 4
+ z = a+4
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+ y = a+0; y -= 4
+ z = a-4
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+ y = a+0; y *= 4
+ z = a*4
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+ y = a+0; y /= 4
+ z = a/4
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+
+ # Power operations
+ y = a+0; y **= 4
+ z = a**4
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+
+ # Binary operations
+ y = a+0; y += b
+ z = a+b
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+ y = a+0; y -= b
+ z = a-b
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+ y = a+0; y *= b
+ z = a*b
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+ y = a+0; y /= b
+ z = a/b
+ assert y.x == z.x and abs(y.variance-z.variance) < 1e-15
+
+
+ # =============== vector operations ================
+ # Slicing
+ z = Uncertainty(numpy.array([1,2,3,4,5]),numpy.array([2,1,2,3,2]))
+ assert z[2].x == 3 and z[2].variance == 2
+ assert (z[2:4].x == [3,4]).all()
+ assert (z[2:4].variance == [2,3]).all()
+ z[2:4] = Uncertainty(numpy.array([8,7]),numpy.array([4,5]))
+ assert z[2].x == 8 and z[2].variance == 4
+ A = Uncertainty(numpy.array([a.x]*2),numpy.array([a.variance]*2))
+ B = Uncertainty(numpy.array([b.x]*2),numpy.array([b.variance]*2))
+
+ # TODO complete tests of copy and inplace operations for vectors and slices.
+
+ # Binary operations
+ z = A+B
+ assert (z.x == 5+4).all() and (z.variance == 3+2).all()
+ z = A-B
+ assert (z.x == 5-4).all() and (z.variance == 3+2).all()
+ z = A*B
+ assert (z.x == 5*4).all() and (z.variance == (5**2*2 + 4**2*3)).all()
+ z = A/B
+ assert (z.x == 5./4).all()
+ assert (abs(z.variance - (3./5**2 + 2./4**2)*(5./4)**2) < 1e-15).all()
+
+ # printing; note that sqrt(3) ~ 1.7
+ assert str(Uncertainty(5,3)) == "5.0(17)"
+ assert str(Uncertainty(15,3)) == "15.0(17)"
+ assert str(Uncertainty(151.23356,0.324185**2)) == "151.23(32)"
+
+if __name__ == "__main__": test()
diff --git a/src/sas/sascalc/data_util/uniquelist.py b/src/sas/sascalc/data_util/uniquelist.py
new file mode 100644
index 0000000..b68b597
--- /dev/null
+++ b/src/sas/sascalc/data_util/uniquelist.py
@@ -0,0 +1,40 @@
+#
+
+def uniquelist(inputlist, hash=None):
+ '''remove redunduant elements from the give list
+ and return a list of unique elements.
+
+ inputlist: input list
+ hash: use this function to make the items in the list hashable.
+
+ Implementation details:
+ This function is order-preserving.
+ '''
+ if hash is None:
+ hash = __builtins__.hash
+ seen = {}
+ result = []
+ for item in inputlist:
+ marker = hash(item)
+ if marker in seen: continue
+ seen[marker] = 1
+ result.append(item)
+ return result
+
+
+def test():
+ assert uniquelist([1,2,2,3])==[1,2,3]
+ return
+
+
+def main():
+ test()
+ return
+
+if __name__ == '__main__': main()
+
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/dataloader/__init__.py b/src/sas/sascalc/dataloader/__init__.py
new file mode 100644
index 0000000..089a25f
--- /dev/null
+++ b/src/sas/sascalc/dataloader/__init__.py
@@ -0,0 +1,3 @@
+from data_info import *
+from manipulations import *
+from readers import *
diff --git a/src/sas/sascalc/dataloader/data_info.py b/src/sas/sascalc/dataloader/data_info.py
new file mode 100644
index 0000000..e87b8ef
--- /dev/null
+++ b/src/sas/sascalc/dataloader/data_info.py
@@ -0,0 +1,1200 @@
+"""
+ Module that contains classes to hold information read from
+ reduced data files.
+
+ A good description of the data members can be found in
+ the CanSAS 1D XML data format:
+
+ http://www.smallangles.net/wgwiki/index.php/cansas1d_documentation
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+
+
+#TODO: Keep track of data manipulation in the 'process' data structure.
+#TODO: This module should be independent of plottables. We should write
+# an adapter class for plottables when needed.
+
+#from sas.guitools.plottables import Data1D as plottable_1D
+from sas.sascalc.data_util.uncertainty import Uncertainty
+import numpy
+import math
+
+class plottable_1D(object):
+ """
+ Data1D is a place holder for 1D plottables.
+ """
+ # The presence of these should be mutually
+ # exclusive with the presence of Qdev (dx)
+ x = None
+ y = None
+ dx = None
+ dy = None
+ ## Slit smearing length
+ dxl = None
+ ## Slit smearing width
+ dxw = None
+ ## SESANS specific params (wavelengths for spin echo length calculation)
+ lam = None
+ dlam = None
+
+ # Units
+ _xaxis = ''
+ _xunit = ''
+ _yaxis = ''
+ _yunit = ''
+
+ def __init__(self, x, y, dx=None, dy=None, dxl=None, dxw=None, lam=None, dlam=None):
+ self.x = numpy.asarray(x)
+ self.y = numpy.asarray(y)
+ if dx is not None:
+ self.dx = numpy.asarray(dx)
+ if dy is not None:
+ self.dy = numpy.asarray(dy)
+ if dxl is not None:
+ self.dxl = numpy.asarray(dxl)
+ if dxw is not None:
+ self.dxw = numpy.asarray(dxw)
+ if lam is not None:
+ self.lam = numpy.asarray(lam)
+ if dlam is not None:
+ self.dlam = numpy.asarray(dlam)
+
+ def xaxis(self, label, unit):
+ """
+ set the x axis label and unit
+ """
+ self._xaxis = label
+ self._xunit = unit
+
+ def yaxis(self, label, unit):
+ """
+ set the y axis label and unit
+ """
+ self._yaxis = label
+ self._yunit = unit
+
+
+class plottable_2D(object):
+ """
+ Data2D is a place holder for 2D plottables.
+ """
+ xmin = None
+ xmax = None
+ ymin = None
+ ymax = None
+ data = None
+ qx_data = None
+ qy_data = None
+ q_data = None
+ err_data = None
+ dqx_data = None
+ dqy_data = None
+ mask = None
+
+ # Units
+ _xaxis = ''
+ _xunit = ''
+ _yaxis = ''
+ _yunit = ''
+ _zaxis = ''
+ _zunit = ''
+
+ def __init__(self, data=None, err_data=None, qx_data=None,
+ qy_data=None, q_data=None, mask=None,
+ dqx_data=None, dqy_data=None):
+ self.data = numpy.asarray(data)
+ self.qx_data = numpy.asarray(qx_data)
+ self.qy_data = numpy.asarray(qy_data)
+ self.q_data = numpy.asarray(q_data)
+ self.mask = numpy.asarray(mask)
+ self.err_data = numpy.asarray(err_data)
+ if dqx_data is not None:
+ self.dqx_data = numpy.asarray(dqx_data)
+ if dqy_data is not None:
+ self.dqy_data = numpy.asarray(dqy_data)
+
+ def xaxis(self, label, unit):
+ """
+ set the x axis label and unit
+ """
+ self._xaxis = label
+ self._xunit = unit
+
+ def yaxis(self, label, unit):
+ """
+ set the y axis label and unit
+ """
+ self._yaxis = label
+ self._yunit = unit
+
+ def zaxis(self, label, unit):
+ """
+ set the z axis label and unit
+ """
+ self._zaxis = label
+ self._zunit = unit
+
+
+class Vector(object):
+ """
+ Vector class to hold multi-dimensional objects
+ """
+ ## x component
+ x = None
+ ## y component
+ y = None
+ ## z component
+ z = None
+
+ def __init__(self, x=None, y=None, z=None):
+ """
+ Initialization. Components that are not
+ set a set to None by default.
+
+ :param x: x component
+ :param y: y component
+ :param z: z component
+ """
+ self.x = x
+ self.y = y
+ self.z = z
+
+ def __str__(self):
+ msg = "x = %s\ty = %s\tz = %s" % (str(self.x), str(self.y), str(self.z))
+ return msg
+
+
+class Detector(object):
+ """
+ Class to hold detector information
+ """
+ ## Name of the instrument [string]
+ name = None
+ ## Sample to detector distance [float] [mm]
+ distance = None
+ distance_unit = 'mm'
+ ## Offset of this detector position in X, Y,
+ #(and Z if necessary) [Vector] [mm]
+ offset = None
+ offset_unit = 'm'
+ ## Orientation (rotation) of this detector in roll,
+ # pitch, and yaw [Vector] [degrees]
+ orientation = None
+ orientation_unit = 'degree'
+ ## Center of the beam on the detector in X and Y
+ #(and Z if necessary) [Vector] [mm]
+ beam_center = None
+ beam_center_unit = 'mm'
+ ## Pixel size in X, Y, (and Z if necessary) [Vector] [mm]
+ pixel_size = None
+ pixel_size_unit = 'mm'
+ ## Slit length of the instrument for this detector.[float] [mm]
+ slit_length = None
+ slit_length_unit = 'mm'
+
+ def __init__(self):
+ """
+ Initialize class attribute that are objects...
+ """
+ self.offset = Vector()
+ self.orientation = Vector()
+ self.beam_center = Vector()
+ self.pixel_size = Vector()
+
+ def __str__(self):
+ _str = "Detector:\n"
+ _str += " Name: %s\n" % self.name
+ _str += " Distance: %s [%s]\n" % \
+ (str(self.distance), str(self.distance_unit))
+ _str += " Offset: %s [%s]\n" % \
+ (str(self.offset), str(self.offset_unit))
+ _str += " Orientation: %s [%s]\n" % \
+ (str(self.orientation), str(self.orientation_unit))
+ _str += " Beam center: %s [%s]\n" % \
+ (str(self.beam_center), str(self.beam_center_unit))
+ _str += " Pixel size: %s [%s]\n" % \
+ (str(self.pixel_size), str(self.pixel_size_unit))
+ _str += " Slit length: %s [%s]\n" % \
+ (str(self.slit_length), str(self.slit_length_unit))
+ return _str
+
+
+class Aperture(object):
+ ## Name
+ name = None
+ ## Type
+ type = None
+ ## Size name
+ size_name = None
+ ## Aperture size [Vector]
+ size = None
+ size_unit = 'mm'
+ ## Aperture distance [float]
+ distance = None
+ distance_unit = 'mm'
+
+ def __init__(self):
+ self.size = Vector()
+
+
+class Collimation(object):
+ """
+ Class to hold collimation information
+ """
+ ## Name
+ name = None
+ ## Length [float] [mm]
+ length = None
+ length_unit = 'mm'
+ ## Aperture
+ aperture = None
+
+ def __init__(self):
+ self.aperture = []
+
+ def __str__(self):
+ _str = "Collimation:\n"
+ _str += " Length: %s [%s]\n" % \
+ (str(self.length), str(self.length_unit))
+ for item in self.aperture:
+ _str += " Aperture size:%s [%s]\n" % \
+ (str(item.size), str(item.size_unit))
+ _str += " Aperture_dist:%s [%s]\n" % \
+ (str(item.distance), str(item.distance_unit))
+ return _str
+
+
+class Source(object):
+ """
+ Class to hold source information
+ """
+ ## Name
+ name = None
+ ## Radiation type [string]
+ radiation = None
+ ## Beam size name
+ beam_size_name = None
+ ## Beam size [Vector] [mm]
+ beam_size = None
+ beam_size_unit = 'mm'
+ ## Beam shape [string]
+ beam_shape = None
+ ## Wavelength [float] [Angstrom]
+ wavelength = None
+ wavelength_unit = 'A'
+ ## Minimum wavelength [float] [Angstrom]
+ wavelength_min = None
+ wavelength_min_unit = 'nm'
+ ## Maximum wavelength [float] [Angstrom]
+ wavelength_max = None
+ wavelength_max_unit = 'nm'
+ ## Wavelength spread [float] [Angstrom]
+ wavelength_spread = None
+ wavelength_spread_unit = 'percent'
+
+ def __init__(self):
+ self.beam_size = Vector()
+
+ def __str__(self):
+ _str = "Source:\n"
+ _str += " Radiation: %s\n" % str(self.radiation)
+ _str += " Shape: %s\n" % str(self.beam_shape)
+ _str += " Wavelength: %s [%s]\n" % \
+ (str(self.wavelength), str(self.wavelength_unit))
+ _str += " Waveln_min: %s [%s]\n" % \
+ (str(self.wavelength_min), str(self.wavelength_min_unit))
+ _str += " Waveln_max: %s [%s]\n" % \
+ (str(self.wavelength_max), str(self.wavelength_max_unit))
+ _str += " Waveln_spread:%s [%s]\n" % \
+ (str(self.wavelength_spread), str(self.wavelength_spread_unit))
+ _str += " Beam_size: %s [%s]\n" % \
+ (str(self.beam_size), str(self.beam_size_unit))
+ return _str
+
+
+"""
+Definitions of radiation types
+"""
+NEUTRON = 'neutron'
+XRAY = 'x-ray'
+MUON = 'muon'
+ELECTRON = 'electron'
+
+
+class Sample(object):
+ """
+ Class to hold the sample description
+ """
+ ## Short name for sample
+ name = ''
+ ## ID
+ ID = ''
+ ## Thickness [float] [mm]
+ thickness = None
+ thickness_unit = 'mm'
+ ## Transmission [float] [fraction]
+ transmission = None
+ ## Temperature [float] [No Default]
+ temperature = None
+ temperature_unit = None
+ ## Position [Vector] [mm]
+ position = None
+ position_unit = 'mm'
+ ## Orientation [Vector] [degrees]
+ orientation = None
+ orientation_unit = 'degree'
+ ## Details
+ details = None
+ ## SESANS zacceptance
+ zacceptance = None
+
+ def __init__(self):
+ self.position = Vector()
+ self.orientation = Vector()
+ self.details = []
+
+ def __str__(self):
+ _str = "Sample:\n"
+ _str += " ID: %s\n" % str(self.ID)
+ _str += " Transmission: %s\n" % str(self.transmission)
+ _str += " Thickness: %s [%s]\n" % \
+ (str(self.thickness), str(self.thickness_unit))
+ _str += " Temperature: %s [%s]\n" % \
+ (str(self.temperature), str(self.temperature_unit))
+ _str += " Position: %s [%s]\n" % \
+ (str(self.position), str(self.position_unit))
+ _str += " Orientation: %s [%s]\n" % \
+ (str(self.orientation), str(self.orientation_unit))
+
+ _str += " Details:\n"
+ for item in self.details:
+ _str += " %s\n" % item
+
+ return _str
+
+
+class Process(object):
+ """
+ Class that holds information about the processes
+ performed on the data.
+ """
+ name = ''
+ date = ''
+ description = ''
+ term = None
+ notes = None
+
+ def __init__(self):
+ self.term = []
+ self.notes = []
+
+ def is_empty(self):
+ """
+ Return True if the object is empty
+ """
+ return len(self.name) == 0 and len(self.date) == 0 and len(self.description) == 0 \
+ and len(self.term) == 0 and len(self.notes) == 0
+
+ def single_line_desc(self):
+ """
+ Return a single line string representing the process
+ """
+ return "%s %s %s" % (self.name, self.date, self.description)
+
+ def __str__(self):
+ _str = "Process:\n"
+ _str += " Name: %s\n" % self.name
+ _str += " Date: %s\n" % self.date
+ _str += " Description: %s\n" % self.description
+ for item in self.term:
+ _str += " Term: %s\n" % item
+ for item in self.notes:
+ _str += " Note: %s\n" % item
+ return _str
+
+
+class TransmissionSpectrum(object):
+ """
+ Class that holds information about transmission spectrum
+ for white beams and spallation sources.
+ """
+ name = ''
+ timestamp = ''
+ ## Wavelength (float) [A]
+ wavelength = None
+ wavelength_unit = 'A'
+ ## Transmission (float) [unit less]
+ transmission = None
+ transmission_unit = ''
+ ## Transmission Deviation (float) [unit less]
+ transmission_deviation = None
+ transmission_deviation_unit = ''
+
+ def __init__(self):
+ self.wavelength = []
+ self.transmission = []
+ self.transmission_deviation = []
+
+ def __str__(self):
+ _str = "Transmission Spectrum:\n"
+ _str += " Name: \t{0}\n".format(self.name)
+ _str += " Timestamp: \t{0}\n".format(self.timestamp)
+ _str += " Wavelength unit: \t{0}\n".format(self.wavelength_unit)
+ _str += " Transmission unit:\t{0}\n".format(self.transmission_unit)
+ _str += " Trans. Dev. unit: \t{0}\n".format(\
+ self.transmission_deviation_unit)
+ length_list = [len(self.wavelength), len(self.transmission), \
+ len(self.transmission_deviation)]
+ _str += " Number of Pts: \t{0}\n".format(max(length_list))
+ return _str
+
+
+class DataInfo(object):
+ """
+ Class to hold the data read from a file.
+ It includes four blocks of data for the
+ instrument description, the sample description,
+ the data itself and any other meta data.
+ """
+ ## Title
+ title = ''
+ ## Run number
+ run = None
+ ## Run name
+ run_name = None
+ ## File name
+ filename = ''
+ ## Notes
+ notes = None
+ ## Processes (Action on the data)
+ process = None
+ ## Instrument name
+ instrument = ''
+ ## Detector information
+ detector = None
+ ## Sample information
+ sample = None
+ ## Source information
+ source = None
+ ## Collimation information
+ collimation = None
+ ## Transmission Spectrum INfo
+ trans_spectrum = None
+ ## Additional meta-data
+ meta_data = None
+ ## Loading errors
+ errors = None
+ ## SESANS data check
+ isSesans = None
+
+
+ def __init__(self):
+ """
+ Initialization
+ """
+ ## Title
+ self.title = ''
+ ## Run number
+ self.run = []
+ self.run_name = {}
+ ## File name
+ self.filename = ''
+ ## Notes
+ self.notes = []
+ ## Processes (Action on the data)
+ self.process = []
+ ## Instrument name
+ self.instrument = ''
+ ## Detector information
+ self.detector = []
+ ## Sample information
+ self.sample = Sample()
+ ## Source information
+ self.source = Source()
+ ## Collimation information
+ self.collimation = []
+ ## Transmission Spectrum
+ self.trans_spectrum = []
+ ## Additional meta-data
+ self.meta_data = {}
+ ## Loading errors
+ self.errors = []
+ ## SESANS data check
+ self.isSesans = False
+
+ def append_empty_process(self):
+ """
+ """
+ self.process.append(Process())
+
+ def add_notes(self, message=""):
+ """
+ Add notes to datainfo
+ """
+ self.notes.append(message)
+
+ def __str__(self):
+ """
+ Nice printout
+ """
+ _str = "File: %s\n" % self.filename
+ _str += "Title: %s\n" % self.title
+ _str += "Run: %s\n" % str(self.run)
+ _str += "SESANS: %s\n" % str(self.isSesans)
+ _str += "Instrument: %s\n" % str(self.instrument)
+ _str += "%s\n" % str(self.sample)
+ _str += "%s\n" % str(self.source)
+ for item in self.detector:
+ _str += "%s\n" % str(item)
+ for item in self.collimation:
+ _str += "%s\n" % str(item)
+ for item in self.process:
+ _str += "%s\n" % str(item)
+ for item in self.notes:
+ _str += "%s\n" % str(item)
+ for item in self.trans_spectrum:
+ _str += "%s\n" % str(item)
+ return _str
+
+ # Private method to perform operation. Not implemented for DataInfo,
+ # but should be implemented for each data class inherited from DataInfo
+ # that holds actual data (ex.: Data1D)
+ def _perform_operation(self, other, operation):
+ """
+ Private method to perform operation. Not implemented for DataInfo,
+ but should be implemented for each data class inherited from DataInfo
+ that holds actual data (ex.: Data1D)
+ """
+ return NotImplemented
+
+ def _perform_union(self, other):
+ """
+ Private method to perform union operation. Not implemented for DataInfo,
+ but should be implemented for each data class inherited from DataInfo
+ that holds actual data (ex.: Data1D)
+ """
+ return NotImplemented
+
+ def __add__(self, other):
+ """
+ Add two data sets
+
+ :param other: data set to add to the current one
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return a + b
+ return self._perform_operation(other, operation)
+
+ def __radd__(self, other):
+ """
+ Add two data sets
+
+ :param other: data set to add to the current one
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return b + a
+ return self._perform_operation(other, operation)
+
+ def __sub__(self, other):
+ """
+ Subtract two data sets
+
+ :param other: data set to subtract from the current one
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return a - b
+ return self._perform_operation(other, operation)
+
+ def __rsub__(self, other):
+ """
+ Subtract two data sets
+
+ :param other: data set to subtract from the current one
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return b - a
+ return self._perform_operation(other, operation)
+
+ def __mul__(self, other):
+ """
+ Multiply two data sets
+
+ :param other: data set to subtract from the current one
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return a * b
+ return self._perform_operation(other, operation)
+
+ def __rmul__(self, other):
+ """
+ Multiply two data sets
+
+ :param other: data set to subtract from the current one
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return b * a
+ return self._perform_operation(other, operation)
+
+ def __div__(self, other):
+ """
+ Divided a data set by another
+
+ :param other: data set that the current one is divided by
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return a/b
+ return self._perform_operation(other, operation)
+
+ def __rdiv__(self, other):
+ """
+ Divided a data set by another
+
+ :param other: data set that the current one is divided by
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ def operation(a, b):
+ return b/a
+ return self._perform_operation(other, operation)
+
+ def __or__(self, other):
+ """
+ Union a data set with another
+
+ :param other: data set to be unified
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ return self._perform_union(other)
+
+ def __ror__(self, other):
+ """
+ Union a data set with another
+
+ :param other: data set to be unified
+ :return: new data set
+ :raise ValueError: raised when two data sets are incompatible
+ """
+ return self._perform_union(other)
+
+class Data1D(plottable_1D, DataInfo):
+ """
+ 1D data class
+ """
+ def __init__(self, x=None, y=None, dx=None, dy=None, lam=None, dlam=None, isSesans=None):
+ DataInfo.__init__(self)
+ plottable_1D.__init__(self, x, y, dx, dy,None, None, lam, dlam)
+ self.isSesans = isSesans
+ try:
+ if self.isSesans: # the data is SESANS
+ self.x_unit = 'A'
+ self.y_unit = 'pol'
+ elif not self.isSesans: # the data is SANS
+ self.x_unit = '1/A'
+ self.y_unit = '1/cm'
+ except: # the data is not recognized/supported, and the user is notified
+ raise(TypeError, 'data not recognized, check documentation for supported 1D data formats')
+
+ def __str__(self):
+ """
+ Nice printout
+ """
+ _str = "%s\n" % DataInfo.__str__(self)
+ _str += "Data:\n"
+ _str += " Type: %s\n" % self.__class__.__name__
+ _str += " X-axis: %s\t[%s]\n" % (self._xaxis, self._xunit)
+ _str += " Y-axis: %s\t[%s]\n" % (self._yaxis, self._yunit)
+ _str += " Length: %g\n" % len(self.x)
+ return _str
+
+ def is_slit_smeared(self):
+ """
+ Check whether the data has slit smearing information
+ :return: True is slit smearing info is present, False otherwise
+ """
+ def _check(v):
+ if (v.__class__ == list or v.__class__ == numpy.ndarray) \
+ and len(v) > 0 and min(v) > 0:
+ return True
+ return False
+ return _check(self.dxl) or _check(self.dxw)
+
+ def clone_without_data(self, length=0, clone=None):
+ """
+ Clone the current object, without copying the data (which
+ will be filled out by a subsequent operation).
+ The data arrays will be initialized to zero.
+
+ :param length: length of the data array to be initialized
+ :param clone: if provided, the data will be copied to clone
+ """
+ from copy import deepcopy
+
+ if clone is None or not issubclass(clone.__class__, Data1D):
+ x = numpy.zeros(length)
+ dx = numpy.zeros(length)
+ y = numpy.zeros(length)
+ dy = numpy.zeros(length)
+ lam = numpy.zeros(length)
+ dlam = numpy.zeros(length)
+ clone = Data1D(x, y, lam=lam, dx=dx, dy=dy, dlam=dlam)
+
+ clone.title = self.title
+ clone.run = self.run
+ clone.filename = self.filename
+ clone.instrument = self.instrument
+ clone.notes = deepcopy(self.notes)
+ clone.process = deepcopy(self.process)
+ clone.detector = deepcopy(self.detector)
+ clone.sample = deepcopy(self.sample)
+ clone.source = deepcopy(self.source)
+ clone.collimation = deepcopy(self.collimation)
+ clone.trans_spectrum = deepcopy(self.trans_spectrum)
+ clone.meta_data = deepcopy(self.meta_data)
+ clone.errors = deepcopy(self.errors)
+
+ return clone
+
+ def _validity_check(self, other):
+ """
+ Checks that the data lengths are compatible.
+ Checks that the x vectors are compatible.
+ Returns errors vectors equal to original
+ errors vectors if they were present or vectors
+ of zeros when none was found.
+
+ :param other: other data set for operation
+ :return: dy for self, dy for other [numpy arrays]
+ :raise ValueError: when lengths are not compatible
+ """
+ dy_other = None
+ if isinstance(other, Data1D):
+ # Check that data lengths are the same
+ if len(self.x) != len(other.x) or \
+ len(self.y) != len(other.y):
+ msg = "Unable to perform operation: data length are not equal"
+ raise ValueError, msg
+ # Here we could also extrapolate between data points
+ TOLERANCE = 0.01
+ for i in range(len(self.x)):
+ if math.fabs((self.x[i] - other.x[i])/self.x[i]) > TOLERANCE:
+ msg = "Incompatible data sets: x-values do not match"
+ raise ValueError, msg
+
+ # Check that the other data set has errors, otherwise
+ # create zero vector
+ dy_other = other.dy
+ if other.dy == None or (len(other.dy) != len(other.y)):
+ dy_other = numpy.zeros(len(other.y))
+
+ # Check that we have errors, otherwise create zero vector
+ dy = self.dy
+ if self.dy == None or (len(self.dy) != len(self.y)):
+ dy = numpy.zeros(len(self.y))
+
+ return dy, dy_other
+
+ def _perform_operation(self, other, operation):
+ """
+ """
+ # First, check the data compatibility
+ dy, dy_other = self._validity_check(other)
+ result = self.clone_without_data(len(self.x))
+ if self.dxw == None:
+ result.dxw = None
+ else:
+ result.dxw = numpy.zeros(len(self.x))
+ if self.dxl == None:
+ result.dxl = None
+ else:
+ result.dxl = numpy.zeros(len(self.x))
+
+ for i in range(len(self.x)):
+ result.x[i] = self.x[i]
+ if self.dx is not None and len(self.x) == len(self.dx):
+ result.dx[i] = self.dx[i]
+ if self.dxw is not None and len(self.x) == len(self.dxw):
+ result.dxw[i] = self.dxw[i]
+ if self.dxl is not None and len(self.x) == len(self.dxl):
+ result.dxl[i] = self.dxl[i]
+
+ a = Uncertainty(self.y[i], dy[i]**2)
+ if isinstance(other, Data1D):
+ b = Uncertainty(other.y[i], dy_other[i]**2)
+ if other.dx is not None:
+ result.dx[i] *= self.dx[i]
+ result.dx[i] += (other.dx[i]**2)
+ result.dx[i] /= 2
+ result.dx[i] = math.sqrt(result.dx[i])
+ if result.dxl is not None and other.dxl is not None:
+ result.dxl[i] *= self.dxl[i]
+ result.dxl[i] += (other.dxl[i]**2)
+ result.dxl[i] /= 2
+ result.dxl[i] = math.sqrt(result.dxl[i])
+ else:
+ b = other
+
+ output = operation(a, b)
+ result.y[i] = output.x
+ result.dy[i] = math.sqrt(math.fabs(output.variance))
+ return result
+
+ def _validity_check_union(self, other):
+ """
+ Checks that the data lengths are compatible.
+ Checks that the x vectors are compatible.
+ Returns errors vectors equal to original
+ errors vectors if they were present or vectors
+ of zeros when none was found.
+
+ :param other: other data set for operation
+ :return: bool
+ :raise ValueError: when data types are not compatible
+ """
+ if not isinstance(other, Data1D):
+ msg = "Unable to perform operation: different types of data set"
+ raise ValueError, msg
+ return True
+
+ def _perform_union(self, other):
+ """
+ """
+ # First, check the data compatibility
+ self._validity_check_union(other)
+ result = self.clone_without_data(len(self.x) + len(other.x))
+ if self.dy == None or other.dy is None:
+ result.dy = None
+ else:
+ result.dy = numpy.zeros(len(self.x) + len(other.x))
+ if self.dx == None or other.dx is None:
+ result.dx = None
+ else:
+ result.dx = numpy.zeros(len(self.x) + len(other.x))
+ if self.dxw == None or other.dxw is None:
+ result.dxw = None
+ else:
+ result.dxw = numpy.zeros(len(self.x) + len(other.x))
+ if self.dxl == None or other.dxl is None:
+ result.dxl = None
+ else:
+ result.dxl = numpy.zeros(len(self.x) + len(other.x))
+
+ result.x = numpy.append(self.x, other.x)
+ #argsorting
+ ind = numpy.argsort(result.x)
+ result.x = result.x[ind]
+ result.y = numpy.append(self.y, other.y)
+ result.y = result.y[ind]
+ if result.dy != None:
+ result.dy = numpy.append(self.dy, other.dy)
+ result.dy = result.dy[ind]
+ if result.dx is not None:
+ result.dx = numpy.append(self.dx, other.dx)
+ result.dx = result.dx[ind]
+ if result.dxw is not None:
+ result.dxw = numpy.append(self.dxw, other.dxw)
+ result.dxw = result.dxw[ind]
+ if result.dxl is not None:
+ result.dxl = numpy.append(self.dxl, other.dxl)
+ result.dxl = result.dxl[ind]
+ return result
+
+
+class Data2D(plottable_2D, DataInfo):
+ """
+ 2D data class
+ """
+ ## Units for Q-values
+ Q_unit = '1/A'
+ ## Units for I(Q) values
+ I_unit = '1/cm'
+ ## Vector of Q-values at the center of each bin in x
+ x_bins = None
+ ## Vector of Q-values at the center of each bin in y
+ y_bins = None
+ ## No 2D SESANS data as of yet. Always set it to False
+ isSesans = False
+
+ def __init__(self, data=None, err_data=None, qx_data=None,
+ qy_data=None, q_data=None, mask=None,
+ dqx_data=None, dqy_data=None):
+ DataInfo.__init__(self)
+ plottable_2D.__init__(self, data, err_data, qx_data,
+ qy_data, q_data, mask, dqx_data, dqy_data)
+ self.y_bins = []
+ self.x_bins = []
+
+ if len(self.detector) > 0:
+ raise RuntimeError, "Data2D: Detector bank already filled at init"
+
+ def __str__(self):
+ _str = "%s\n" % DataInfo.__str__(self)
+ _str += "Data:\n"
+ _str += " Type: %s\n" % self.__class__.__name__
+ _str += " X- & Y-axis: %s\t[%s]\n" % (self._yaxis, self._yunit)
+ _str += " Z-axis: %s\t[%s]\n" % (self._zaxis, self._zunit)
+ _str += " Length: %g \n" % (len(self.data))
+ _str += " Shape: (%d, %d)\n" % (len(self.y_bins), len(self.x_bins))
+ return _str
+
+ def clone_without_data(self, length=0, clone=None):
+ """
+ Clone the current object, without copying the data (which
+ will be filled out by a subsequent operation).
+ The data arrays will be initialized to zero.
+
+ :param length: length of the data array to be initialized
+ :param clone: if provided, the data will be copied to clone
+ """
+ from copy import deepcopy
+
+ if clone is None or not issubclass(clone.__class__, Data2D):
+ data = numpy.zeros(length)
+ err_data = numpy.zeros(length)
+ qx_data = numpy.zeros(length)
+ qy_data = numpy.zeros(length)
+ q_data = numpy.zeros(length)
+ mask = numpy.zeros(length)
+ dqx_data = None
+ dqy_data = None
+ clone = Data2D(data=data, err_data=err_data,
+ qx_data=qx_data, qy_data=qy_data,
+ q_data=q_data, mask=mask)
+
+ clone.title = self.title
+ clone.run = self.run
+ clone.filename = self.filename
+ clone.instrument = self.instrument
+ clone.notes = deepcopy(self.notes)
+ clone.process = deepcopy(self.process)
+ clone.detector = deepcopy(self.detector)
+ clone.sample = deepcopy(self.sample)
+ clone.source = deepcopy(self.source)
+ clone.collimation = deepcopy(self.collimation)
+ clone.trans_spectrum = deepcopy(self.trans_spectrum)
+ clone.meta_data = deepcopy(self.meta_data)
+ clone.errors = deepcopy(self.errors)
+
+ return clone
+
+ def _validity_check(self, other):
+ """
+ Checks that the data lengths are compatible.
+ Checks that the x vectors are compatible.
+ Returns errors vectors equal to original
+ errors vectors if they were present or vectors
+ of zeros when none was found.
+
+ :param other: other data set for operation
+ :return: dy for self, dy for other [numpy arrays]
+ :raise ValueError: when lengths are not compatible
+ """
+ err_other = None
+ TOLERANCE = 0.01
+ if isinstance(other, Data2D):
+ # Check that data lengths are the same
+ if len(self.data) != len(other.data) or \
+ len(self.qx_data) != len(other.qx_data) or \
+ len(self.qy_data) != len(other.qy_data):
+ msg = "Unable to perform operation: data length are not equal"
+ raise ValueError, msg
+ for ind in range(len(self.data)):
+ if math.fabs((self.qx_data[ind] - other.qx_data[ind])/self.qx_data[ind]) > TOLERANCE:
+ msg = "Incompatible data sets: qx-values do not match: %s %s" % (self.qx_data[ind], other.qx_data[ind])
+ raise ValueError, msg
+ if math.fabs((self.qy_data[ind] - other.qy_data[ind])/self.qy_data[ind]) > TOLERANCE:
+ msg = "Incompatible data sets: qy-values do not match: %s %s" % (self.qy_data[ind], other.qy_data[ind])
+ raise ValueError, msg
+
+ # Check that the scales match
+ err_other = other.err_data
+ if other.err_data == None or \
+ (len(other.err_data) != len(other.data)):
+ err_other = numpy.zeros(len(other.data))
+
+ # Check that we have errors, otherwise create zero vector
+ err = self.err_data
+ if self.err_data == None or \
+ (len(self.err_data) != len(self.data)):
+ err = numpy.zeros(len(other.data))
+ return err, err_other
+
+ def _perform_operation(self, other, operation):
+ """
+ Perform 2D operations between data sets
+
+ :param other: other data set
+ :param operation: function defining the operation
+ """
+ # First, check the data compatibility
+ dy, dy_other = self._validity_check(other)
+ result = self.clone_without_data(numpy.size(self.data))
+ if self.dqx_data == None or self.dqy_data == None:
+ result.dqx_data = None
+ result.dqy_data = None
+ else:
+ result.dqx_data = numpy.zeros(len(self.data))
+ result.dqy_data = numpy.zeros(len(self.data))
+ for i in range(numpy.size(self.data)):
+ result.data[i] = self.data[i]
+ if self.err_data is not None and \
+ numpy.size(self.data) == numpy.size(self.err_data):
+ result.err_data[i] = self.err_data[i]
+ if self.dqx_data is not None:
+ result.dqx_data[i] = self.dqx_data[i]
+ if self.dqy_data is not None:
+ result.dqy_data[i] = self.dqy_data[i]
+ result.qx_data[i] = self.qx_data[i]
+ result.qy_data[i] = self.qy_data[i]
+ result.q_data[i] = self.q_data[i]
+ result.mask[i] = self.mask[i]
+
+ a = Uncertainty(self.data[i], dy[i]**2)
+ if isinstance(other, Data2D):
+ b = Uncertainty(other.data[i], dy_other[i]**2)
+ if other.dqx_data is not None and \
+ result.dqx_data is not None:
+ result.dqx_data[i] *= self.dqx_data[i]
+ result.dqx_data[i] += (other.dqx_data[i]**2)
+ result.dqx_data[i] /= 2
+ result.dqx_data[i] = math.sqrt(result.dqx_data[i])
+ if other.dqy_data is not None and \
+ result.dqy_data is not None:
+ result.dqy_data[i] *= self.dqy_data[i]
+ result.dqy_data[i] += (other.dqy_data[i]**2)
+ result.dqy_data[i] /= 2
+ result.dqy_data[i] = math.sqrt(result.dqy_data[i])
+ else:
+ b = other
+ output = operation(a, b)
+ result.data[i] = output.x
+ result.err_data[i] = math.sqrt(math.fabs(output.variance))
+ return result
+
+ def _validity_check_union(self, other):
+ """
+ Checks that the data lengths are compatible.
+ Checks that the x vectors are compatible.
+ Returns errors vectors equal to original
+ errors vectors if they were present or vectors
+ of zeros when none was found.
+
+ :param other: other data set for operation
+ :return: bool
+ :raise ValueError: when data types are not compatible
+ """
+ if not isinstance(other, Data2D):
+ msg = "Unable to perform operation: different types of data set"
+ raise ValueError, msg
+ return True
+
+ def _perform_union(self, other):
+ """
+ Perform 2D operations between data sets
+
+ :param other: other data set
+ :param operation: function defining the operation
+ """
+ # First, check the data compatibility
+ self._validity_check_union(other)
+ result = self.clone_without_data(numpy.size(self.data) + \
+ numpy.size(other.data))
+ result.xmin = self.xmin
+ result.xmax = self.xmax
+ result.ymin = self.ymin
+ result.ymax = self.ymax
+ if self.dqx_data == None or self.dqy_data == None or \
+ other.dqx_data == None or other.dqy_data == None:
+ result.dqx_data = None
+ result.dqy_data = None
+ else:
+ result.dqx_data = numpy.zeros(len(self.data) + \
+ numpy.size(other.data))
+ result.dqy_data = numpy.zeros(len(self.data) + \
+ numpy.size(other.data))
+
+ result.data = numpy.append(self.data, other.data)
+ result.qx_data = numpy.append(self.qx_data, other.qx_data)
+ result.qy_data = numpy.append(self.qy_data, other.qy_data)
+ result.q_data = numpy.append(self.q_data, other.q_data)
+ result.mask = numpy.append(self.mask, other.mask)
+ if result.err_data is not None:
+ result.err_data = numpy.append(self.err_data, other.err_data)
+ if self.dqx_data is not None:
+ result.dqx_data = numpy.append(self.dqx_data, other.dqx_data)
+ if self.dqy_data is not None:
+ result.dqy_data = numpy.append(self.dqy_data, other.dqy_data)
+
+ return result
+
+
+def combine_data_info_with_plottable(data, datainfo):
+ """
+ A function that combines the DataInfo data in self.current_datainto with a plottable_1D or 2D data object.
+
+ :param data: A plottable_1D or plottable_2D data object
+ :return: A fully specified Data1D or Data2D object
+ """
+
+ final_dataset = None
+ if isinstance(data, plottable_1D):
+ final_dataset = Data1D(data.x, data.y)
+ final_dataset.dx = data.dx
+ final_dataset.dy = data.dy
+ final_dataset.dxl = data.dxl
+ final_dataset.dxw = data.dxw
+ final_dataset.xaxis(data._xaxis, data._xunit)
+ final_dataset.yaxis(data._yaxis, data._yunit)
+ elif isinstance(data, plottable_2D):
+ final_dataset = Data2D(data.data, data.err_data, data.qx_data, data.qy_data, data.q_data,
+ data.mask, data.dqx_data, data.dqy_data)
+ final_dataset.xaxis(data._xaxis, data._xunit)
+ final_dataset.yaxis(data._yaxis, data._yunit)
+ final_dataset.zaxis(data._zaxis, data._zunit)
+ final_dataset.x_bins = data.x_bins
+ final_dataset.y_bins = data.y_bins
+ else:
+ return_string = "Should Never Happen: _combine_data_info_with_plottable input is not a plottable1d or " + \
+ "plottable2d data object"
+ return return_string
+
+ final_dataset.xmax = data.xmax
+ final_dataset.ymax = data.ymax
+ final_dataset.xmin = data.xmin
+ final_dataset.ymin = data.ymin
+ final_dataset.isSesans = datainfo.isSesans
+ final_dataset.title = datainfo.title
+ final_dataset.run = datainfo.run
+ final_dataset.run_name = datainfo.run_name
+ final_dataset.filename = datainfo.filename
+ final_dataset.notes = datainfo.notes
+ final_dataset.process = datainfo.process
+ final_dataset.instrument = datainfo.instrument
+ final_dataset.detector = datainfo.detector
+ final_dataset.sample = datainfo.sample
+ final_dataset.source = datainfo.source
+ final_dataset.collimation = datainfo.collimation
+ final_dataset.trans_spectrum = datainfo.trans_spectrum
+ final_dataset.meta_data = datainfo.meta_data
+ final_dataset.errors = datainfo.errors
+ return final_dataset
diff --git a/src/sas/sascalc/dataloader/loader.py b/src/sas/sascalc/dataloader/loader.py
new file mode 100644
index 0000000..b43af08
--- /dev/null
+++ b/src/sas/sascalc/dataloader/loader.py
@@ -0,0 +1,385 @@
+"""
+ File handler to support different file extensions.
+ Uses reflectometry's registry utility.
+
+ The default readers are found in the 'readers' sub-module
+ and registered by default at initialization time.
+
+ To add a new default reader, one must register it in
+ the register_readers method found in readers/__init__.py.
+
+ A utility method (find_plugins) is available to inspect
+ a directory (for instance, a user plug-in directory) and
+ look for new readers/writers.
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+
+import os
+import sys
+import logging
+import time
+from zipfile import ZipFile
+from sas.sascalc.data_util.registry import ExtensionRegistry
+# Default readers are defined in the readers sub-module
+import readers
+from readers import ascii_reader
+from readers import cansas_reader
+
+class Registry(ExtensionRegistry):
+ """
+ Registry class for file format extensions.
+ Readers and writers are supported.
+ """
+
+ def __init__(self):
+ super(Registry, self).__init__()
+
+ ## Writers
+ self.writers = {}
+
+ ## List of wildcards
+ self.wildcards = ['All (*.*)|*.*']
+
+ ## Creation time, for testing
+ self._created = time.time()
+
+ # Register default readers
+ readers.read_associations(self)
+
+ def load(self, path, format=None):
+ """
+ Call the loader for the file type of path.
+
+ :param path: file path
+ :param format: explicit extension, to force the use
+ of a particular reader
+
+ Defaults to the ascii (multi-column) reader
+ if no reader was registered for the file's
+ extension.
+ """
+ try:
+ return super(Registry, self).load(path, format=format)
+ except:
+ try:
+ # No reader was found. Default to the ascii reader.
+ ascii_loader = ascii_reader.Reader()
+ return ascii_loader.read(path)
+ except:
+ cansas_loader = cansas_reader.Reader()
+ return cansas_loader.read(path)
+
+ def find_plugins(self, dir):
+ """
+ Find readers in a given directory. This method
+ can be used to inspect user plug-in directories to
+ find new readers/writers.
+
+ :param dir: directory to search into
+ :return: number of readers found
+ """
+ readers_found = 0
+ temp_path = os.path.abspath(dir)
+ if not os.path.isdir(temp_path):
+ temp_path = os.path.join(os.getcwd(), dir)
+ if not os.path.isdir(temp_path):
+ temp_path = os.path.join(os.path.dirname(__file__), dir)
+ if not os.path.isdir(temp_path):
+ temp_path = os.path.join(os.path.dirname(sys.path[0]), dir)
+
+ dir = temp_path
+ # Check whether the directory exists
+ if not os.path.isdir(dir):
+ msg = "DataLoader couldn't locate DataLoader plugin folder."
+ msg += """ "%s" does not exist""" % dir
+ logging.warning(msg)
+ return readers_found
+
+ for item in os.listdir(dir):
+ full_path = os.path.join(dir, item)
+ if os.path.isfile(full_path):
+
+ # Process python files
+ if item.endswith('.py'):
+ toks = os.path.splitext(os.path.basename(item))
+ try:
+ sys.path.insert(0, os.path.abspath(dir))
+ module = __import__(toks[0], globals(), locals())
+ if self._identify_plugin(module):
+ readers_found += 1
+ except:
+ msg = "Loader: Error importing "
+ msg += "%s\n %s" % (item, sys.exc_value)
+ logging.error(msg)
+
+ # Process zip files
+ elif item.endswith('.zip'):
+ try:
+ # Find the modules in the zip file
+ zfile = ZipFile(item)
+ nlist = zfile.namelist()
+
+ sys.path.insert(0, item)
+ for mfile in nlist:
+ try:
+ # Change OS path to python path
+ fullname = mfile.replace('/', '.')
+ fullname = os.path.splitext(fullname)[0]
+ module = __import__(fullname, globals(),
+ locals(), [""])
+ if self._identify_plugin(module):
+ readers_found += 1
+ except:
+ msg = "Loader: Error importing"
+ msg += " %s\n %s" % (mfile, sys.exc_value)
+ logging.error(msg)
+
+ except:
+ msg = "Loader: Error importing "
+ msg += " %s\n %s" % (item, sys.exc_value)
+ logging.error(msg)
+
+ return readers_found
+
+ def associate_file_type(self, ext, module):
+ """
+ Look into a module to find whether it contains a
+ Reader class. If so, APPEND it to readers and (potentially)
+ to the list of writers for the given extension
+
+ :param ext: file extension [string]
+ :param module: module object
+ """
+ reader_found = False
+
+ if hasattr(module, "Reader"):
+ try:
+ # Find supported extensions
+ loader = module.Reader()
+ if ext not in self.loaders:
+ self.loaders[ext] = []
+ # Append the new reader to the list
+ self.loaders[ext].append(loader.read)
+
+ reader_found = True
+
+ # Keep track of wildcards
+ type_name = module.__name__
+ if hasattr(loader, 'type_name'):
+ type_name = loader.type_name
+
+ wcard = "%s files (*%s)|*%s" % (type_name, ext.lower(),
+ ext.lower())
+ if wcard not in self.wildcards:
+ self.wildcards.append(wcard)
+
+ # Check whether writing is supported
+ if hasattr(loader, 'write'):
+ if ext not in self.writers:
+ self.writers[ext] = []
+ # Append the new writer to the list
+ self.writers[ext].append(loader.write)
+
+ except:
+ msg = "Loader: Error accessing"
+ msg += " Reader in %s\n %s" % (module.__name__, sys.exc_value)
+ logging.error(msg)
+ return reader_found
+
+ def associate_file_reader(self, ext, loader):
+ """
+ Append a reader object to readers
+
+ :param ext: file extension [string]
+ :param module: reader object
+ """
+ reader_found = False
+
+ try:
+ # Find supported extensions
+ if ext not in self.loaders:
+ self.loaders[ext] = []
+ # Append the new reader to the list
+ self.loaders[ext].append(loader.read)
+
+ reader_found = True
+
+ # Keep track of wildcards
+ if hasattr(loader, 'type_name'):
+ type_name = loader.type_name
+
+ wcard = "%s files (*%s)|*%s" % (type_name, ext.lower(),
+ ext.lower())
+ if wcard not in self.wildcards:
+ self.wildcards.append(wcard)
+
+ except:
+ msg = "Loader: Error accessing Reader "
+ msg += "in %s\n %s" % (loader.__name__, sys.exc_value)
+ logging.error(msg)
+ return reader_found
+
+ def _identify_plugin(self, module):
+ """
+ Look into a module to find whether it contains a
+ Reader class. If so, add it to readers and (potentially)
+ to the list of writers.
+ :param module: module object
+
+ """
+ reader_found = False
+
+ if hasattr(module, "Reader"):
+ try:
+ # Find supported extensions
+ loader = module.Reader()
+ for ext in loader.ext:
+ if ext not in self.loaders:
+ self.loaders[ext] = []
+ # When finding a reader at run time,
+ # treat this reader as the new default
+ self.loaders[ext].insert(0, loader.read)
+
+ reader_found = True
+
+ # Keep track of wildcards
+ type_name = module.__name__
+ if hasattr(loader, 'type_name'):
+ type_name = loader.type_name
+ wcard = "%s files (*%s)|*%s" % (type_name, ext.lower(),
+ ext.lower())
+ if wcard not in self.wildcards:
+ self.wildcards.append(wcard)
+
+ # Check whether writing is supported
+ if hasattr(loader, 'write'):
+ for ext in loader.ext:
+ if ext not in self.writers:
+ self.writers[ext] = []
+ self.writers[ext].insert(0, loader.write)
+
+ except:
+ msg = "Loader: Error accessing Reader"
+ msg += " in %s\n %s" % (module.__name__, sys.exc_value)
+ logging.error(msg)
+ return reader_found
+
+ def lookup_writers(self, path):
+ """
+ :return: the loader associated with the file type of path.
+ :Raises ValueError: if file type is not known.
+ """
+ # Find matching extensions
+ extlist = [ext for ext in self.extensions() if path.endswith(ext)]
+ # Sort matching extensions by decreasing order of length
+ extlist.sort(lambda a, b: len(a) < len(b))
+ # Combine loaders for matching extensions into one big list
+ writers = []
+ for L in [self.writers[ext] for ext in extlist]:
+ writers.extend(L)
+ # Remove duplicates if they exist
+ if len(writers) != len(set(writers)):
+ result = []
+ for L in writers:
+ if L not in result:
+ result.append(L)
+ writers = L
+ # Raise an error if there are no matching extensions
+ if len(writers) == 0:
+ raise ValueError, "Unknown file type for " + path
+ # All done
+ return writers
+
+ def save(self, path, data, format=None):
+ """
+ Call the writer for the file type of path.
+
+ Raises ValueError if no writer is available.
+ Raises KeyError if format is not available.
+ May raise a writer-defined exception if writer fails.
+ """
+ if format is None:
+ writers = self.lookup_writers(path)
+ else:
+ writers = self.writers[format]
+ for fn in writers:
+ try:
+ return fn(path, data)
+ except:
+ pass # give other loaders a chance to succeed
+ # If we get here it is because all loaders failed
+ raise # reraises last exception
+
+
+class Loader(object):
+ """
+ Utility class to use the Registry as a singleton.
+ """
+ ## Registry instance
+ __registry = Registry()
+
+ def associate_file_type(self, ext, module):
+ """
+ Look into a module to find whether it contains a
+ Reader class. If so, append it to readers and (potentially)
+ to the list of writers for the given extension
+
+ :param ext: file extension [string]
+ :param module: module object
+ """
+ return self.__registry.associate_file_type(ext, module)
+
+ def associate_file_reader(self, ext, loader):
+ """
+ Append a reader object to readers
+
+ :param ext: file extension [string]
+ :param module: reader object
+ """
+ return self.__registry.associate_file_reader(ext, loader)
+
+ def load(self, file, format=None):
+ """
+ Load a file
+
+ :param file: file name (path)
+ :param format: specified format to use (optional)
+ :return: DataInfo object
+ """
+ return self.__registry.load(file, format)
+
+ def save(self, file, data, format):
+ """
+ Save a DataInfo object to file
+ :param file: file name (path)
+ :param data: DataInfo object
+ :param format: format to write the data in
+ """
+ return self.__registry.save(file, data, format)
+
+ def _get_registry_creation_time(self):
+ """
+ Internal method used to test the uniqueness
+ of the registry object
+ """
+ return self.__registry._created
+
+ def find_plugins(self, directory):
+ """
+ Find plugins in a given directory
+
+ :param dir: directory to look into to find new readers/writers
+ """
+ return self.__registry.find_plugins(directory)
+
+ def get_wildcards(self):
+ """
+ Return the list of wildcards
+ """
+ return self.__registry.wildcards
diff --git a/src/sas/sascalc/dataloader/manipulations.py b/src/sas/sascalc/dataloader/manipulations.py
new file mode 100644
index 0000000..b7f2e73
--- /dev/null
+++ b/src/sas/sascalc/dataloader/manipulations.py
@@ -0,0 +1,1140 @@
+"""
+Data manipulations for 2D data sets.
+Using the meta data information, various types of averaging
+are performed in Q-space
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+
+#TODO: copy the meta data from the 2D object to the resulting 1D object
+import math
+import numpy
+
+#from data_info import plottable_2D
+from data_info import Data1D
+
+
+def get_q(dx, dy, det_dist, wavelength):
+ """
+ :param dx: x-distance from beam center [mm]
+ :param dy: y-distance from beam center [mm]
+ :return: q-value at the given position
+ """
+ # Distance from beam center in the plane of detector
+ plane_dist = math.sqrt(dx * dx + dy * dy)
+ # Half of the scattering angle
+ theta = 0.5 * math.atan(plane_dist / det_dist)
+ return (4.0 * math.pi / wavelength) * math.sin(theta)
+
+
+def get_q_compo(dx, dy, det_dist, wavelength, compo=None):
+ """
+ This reduces tiny error at very large q.
+ Implementation of this func is not started yet.<--ToDo
+ """
+ if dy == 0:
+ if dx >= 0:
+ angle_xy = 0
+ else:
+ angle_xy = math.pi
+ else:
+ angle_xy = math.atan(dx / dy)
+
+ if compo == "x":
+ out = get_q(dx, dy, det_dist, wavelength) * math.cos(angle_xy)
+ elif compo == "y":
+ out = get_q(dx, dy, det_dist, wavelength) * math.sin(angle_xy)
+ else:
+ out = get_q(dx, dy, det_dist, wavelength)
+ return out
+
+
+def flip_phi(phi):
+ """
+ Correct phi to within the 0 <= to <= 2pi range
+
+ :return: phi in >=0 and <=2Pi
+ """
+ Pi = math.pi
+ if phi < 0:
+ phi_out = phi + (2 * Pi)
+ elif phi > (2 * Pi):
+ phi_out = phi - (2 * Pi)
+ else:
+ phi_out = phi
+ return phi_out
+
+
+def reader2D_converter(data2d=None):
+ """
+ convert old 2d format opened by IhorReader or danse_reader
+ to new Data2D format
+
+ :param data2d: 2d array of Data2D object
+ :return: 1d arrays of Data2D object
+
+ """
+ if data2d.data == None or data2d.x_bins == None or data2d.y_bins == None:
+ raise ValueError, "Can't convert this data: data=None..."
+ new_x = numpy.tile(data2d.x_bins, (len(data2d.y_bins), 1))
+ new_y = numpy.tile(data2d.y_bins, (len(data2d.x_bins), 1))
+ new_y = new_y.swapaxes(0, 1)
+
+ new_data = data2d.data.flatten()
+ qx_data = new_x.flatten()
+ qy_data = new_y.flatten()
+ q_data = numpy.sqrt(qx_data * qx_data + qy_data * qy_data)
+ if data2d.err_data == None or numpy.any(data2d.err_data <= 0):
+ new_err_data = numpy.sqrt(numpy.abs(new_data))
+ else:
+ new_err_data = data2d.err_data.flatten()
+ mask = numpy.ones(len(new_data), dtype=bool)
+
+ #TODO: make sense of the following two lines...
+ #from sas.sascalc.dataloader.data_info import Data2D
+ #output = Data2D()
+ output = data2d
+ output.data = new_data
+ output.err_data = new_err_data
+ output.qx_data = qx_data
+ output.qy_data = qy_data
+ output.q_data = q_data
+ output.mask = mask
+
+ return output
+
+
+class _Slab(object):
+ """
+ Compute average I(Q) for a region of interest
+ """
+ def __init__(self, x_min=0.0, x_max=0.0, y_min=0.0,
+ y_max=0.0, bin_width=0.001):
+ # Minimum Qx value [A-1]
+ self.x_min = x_min
+ # Maximum Qx value [A-1]
+ self.x_max = x_max
+ # Minimum Qy value [A-1]
+ self.y_min = y_min
+ # Maximum Qy value [A-1]
+ self.y_max = y_max
+ # Bin width (step size) [A-1]
+ self.bin_width = bin_width
+ # If True, I(|Q|) will be return, otherwise,
+ # negative q-values are allowed
+ self.fold = False
+
+ def __call__(self, data2D):
+ return NotImplemented
+
+ def _avg(self, data2D, maj):
+ """
+ Compute average I(Q_maj) for a region of interest.
+ The major axis is defined as the axis of Q_maj.
+ The minor axis is the axis that we average over.
+
+ :param data2D: Data2D object
+ :param maj_min: min value on the major axis
+ :return: Data1D object
+ """
+ if len(data2D.detector) > 1:
+ msg = "_Slab._avg: invalid number of "
+ msg += " detectors: %g" % len(data2D.detector)
+ raise RuntimeError, msg
+
+ # Get data
+ data = data2D.data[numpy.isfinite(data2D.data)]
+ err_data = data2D.err_data[numpy.isfinite(data2D.data)]
+ qx_data = data2D.qx_data[numpy.isfinite(data2D.data)]
+ qy_data = data2D.qy_data[numpy.isfinite(data2D.data)]
+
+ # Build array of Q intervals
+ if maj == 'x':
+ if self.fold:
+ x_min = 0
+ else:
+ x_min = self.x_min
+ nbins = int(math.ceil((self.x_max - x_min) / self.bin_width))
+ elif maj == 'y':
+ if self.fold:
+ y_min = 0
+ else:
+ y_min = self.y_min
+ nbins = int(math.ceil((self.y_max - y_min) / self.bin_width))
+ else:
+ raise RuntimeError, "_Slab._avg: unrecognized axis %s" % str(maj)
+
+ x = numpy.zeros(nbins)
+ y = numpy.zeros(nbins)
+ err_y = numpy.zeros(nbins)
+ y_counts = numpy.zeros(nbins)
+
+ # Average pixelsize in q space
+ for npts in range(len(data)):
+ # default frac
+ frac_x = 0
+ frac_y = 0
+ # get ROI
+ if self.x_min <= qx_data[npts] and self.x_max > qx_data[npts]:
+ frac_x = 1
+ if self.y_min <= qy_data[npts] and self.y_max > qy_data[npts]:
+ frac_y = 1
+ frac = frac_x * frac_y
+
+ if frac == 0:
+ continue
+ # binning: find axis of q
+ if maj == 'x':
+ q_value = qx_data[npts]
+ min_value = x_min
+ if maj == 'y':
+ q_value = qy_data[npts]
+ min_value = y_min
+ if self.fold and q_value < 0:
+ q_value = -q_value
+ # bin
+ i_q = int(math.ceil((q_value - min_value) / self.bin_width)) - 1
+
+ # skip outside of max bins
+ if i_q < 0 or i_q >= nbins:
+ continue
+
+ #TODO: find better definition of x[i_q] based on q_data
+ # min_value + (i_q + 1) * self.bin_width / 2.0
+ x[i_q] += frac * q_value
+ y[i_q] += frac * data[npts]
+
+ if err_data == None or err_data[npts] == 0.0:
+ if data[npts] < 0:
+ data[npts] = -data[npts]
+ err_y[i_q] += frac * frac * data[npts]
+ else:
+ err_y[i_q] += frac * frac * err_data[npts] * err_data[npts]
+ y_counts[i_q] += frac
+
+ # Average the sums
+ for n in range(nbins):
+ err_y[n] = math.sqrt(err_y[n])
+
+ err_y = err_y / y_counts
+ y = y / y_counts
+ x = x / y_counts
+ idx = (numpy.isfinite(y) & numpy.isfinite(x))
+
+ if not idx.any():
+ msg = "Average Error: No points inside ROI to average..."
+ raise ValueError, msg
+ return Data1D(x=x[idx], y=y[idx], dy=err_y[idx])
+
+
+class SlabY(_Slab):
+ """
+ Compute average I(Qy) for a region of interest
+ """
+ def __call__(self, data2D):
+ """
+ Compute average I(Qy) for a region of interest
+
+ :param data2D: Data2D object
+ :return: Data1D object
+ """
+ return self._avg(data2D, 'y')
+
+
+class SlabX(_Slab):
+ """
+ Compute average I(Qx) for a region of interest
+ """
+ def __call__(self, data2D):
+ """
+ Compute average I(Qx) for a region of interest
+ :param data2D: Data2D object
+ :return: Data1D object
+ """
+ return self._avg(data2D, 'x')
+
+
+class Boxsum(object):
+ """
+ Perform the sum of counts in a 2D region of interest.
+ """
+ def __init__(self, x_min=0.0, x_max=0.0, y_min=0.0, y_max=0.0):
+ # Minimum Qx value [A-1]
+ self.x_min = x_min
+ # Maximum Qx value [A-1]
+ self.x_max = x_max
+ # Minimum Qy value [A-1]
+ self.y_min = y_min
+ # Maximum Qy value [A-1]
+ self.y_max = y_max
+
+ def __call__(self, data2D):
+ """
+ Perform the sum in the region of interest
+
+ :param data2D: Data2D object
+ :return: number of counts, error on number of counts,
+ number of points summed
+ """
+ y, err_y, y_counts = self._sum(data2D)
+
+ # Average the sums
+ counts = 0 if y_counts == 0 else y
+ error = 0 if y_counts == 0 else math.sqrt(err_y)
+
+ # Added y_counts to return, SMK & PDB, 04/03/2013
+ return counts, error, y_counts
+
+ def _sum(self, data2D):
+ """
+ Perform the sum in the region of interest
+
+ :param data2D: Data2D object
+ :return: number of counts,
+ error on number of counts, number of entries summed
+ """
+ if len(data2D.detector) > 1:
+ msg = "Circular averaging: invalid number "
+ msg += "of detectors: %g" % len(data2D.detector)
+ raise RuntimeError, msg
+ # Get data
+ data = data2D.data[numpy.isfinite(data2D.data)]
+ err_data = data2D.err_data[numpy.isfinite(data2D.data)]
+ qx_data = data2D.qx_data[numpy.isfinite(data2D.data)]
+ qy_data = data2D.qy_data[numpy.isfinite(data2D.data)]
+
+ y = 0.0
+ err_y = 0.0
+ y_counts = 0.0
+
+ # Average pixelsize in q space
+ for npts in range(len(data)):
+ # default frac
+ frac_x = 0
+ frac_y = 0
+
+ # get min and max at each points
+ qx = qx_data[npts]
+ qy = qy_data[npts]
+
+ # get the ROI
+ if self.x_min <= qx and self.x_max > qx:
+ frac_x = 1
+ if self.y_min <= qy and self.y_max > qy:
+ frac_y = 1
+ #Find the fraction along each directions
+ frac = frac_x * frac_y
+ if frac == 0:
+ continue
+ y += frac * data[npts]
+ if err_data == None or err_data[npts] == 0.0:
+ if data[npts] < 0:
+ data[npts] = -data[npts]
+ err_y += frac * frac * data[npts]
+ else:
+ err_y += frac * frac * err_data[npts] * err_data[npts]
+ y_counts += frac
+ return y, err_y, y_counts
+
+
+class Boxavg(Boxsum):
+ """
+ Perform the average of counts in a 2D region of interest.
+ """
+ def __init__(self, x_min=0.0, x_max=0.0, y_min=0.0, y_max=0.0):
+ super(Boxavg, self).__init__(x_min=x_min, x_max=x_max,
+ y_min=y_min, y_max=y_max)
+
+ def __call__(self, data2D):
+ """
+ Perform the sum in the region of interest
+
+ :param data2D: Data2D object
+ :return: average counts, error on average counts
+
+ """
+ y, err_y, y_counts = self._sum(data2D)
+
+ # Average the sums
+ counts = 0 if y_counts == 0 else y / y_counts
+ error = 0 if y_counts == 0 else math.sqrt(err_y) / y_counts
+
+ return counts, error
+
+
+def get_pixel_fraction_square(x, xmin, xmax):
+ """
+ Return the fraction of the length
+ from xmin to x.::
+
+ A B
+ +-----------+---------+
+ xmin x xmax
+
+ :param x: x-value
+ :param xmin: minimum x for the length considered
+ :param xmax: minimum x for the length considered
+ :return: (x-xmin)/(xmax-xmin) when xmin < x < xmax
+
+ """
+ if x <= xmin:
+ return 0.0
+ if x > xmin and x < xmax:
+ return (x - xmin) / (xmax - xmin)
+ else:
+ return 1.0
+
+
+class CircularAverage(object):
+ """
+ Perform circular averaging on 2D data
+
+ The data returned is the distribution of counts
+ as a function of Q
+ """
+ def __init__(self, r_min=0.0, r_max=0.0, bin_width=0.0005):
+ # Minimum radius included in the average [A-1]
+ self.r_min = r_min
+ # Maximum radius included in the average [A-1]
+ self.r_max = r_max
+ # Bin width (step size) [A-1]
+ self.bin_width = bin_width
+
+ def __call__(self, data2D, ismask=False):
+ """
+ Perform circular averaging on the data
+
+ :param data2D: Data2D object
+ :return: Data1D object
+ """
+ # Get data W/ finite values
+ data = data2D.data[numpy.isfinite(data2D.data)]
+ q_data = data2D.q_data[numpy.isfinite(data2D.data)]
+ err_data = data2D.err_data[numpy.isfinite(data2D.data)]
+ mask_data = data2D.mask[numpy.isfinite(data2D.data)]
+
+ dq_data = None
+
+ # Get the dq for resolution averaging
+ if data2D.dqx_data != None and data2D.dqy_data != None:
+ # The pinholes and det. pix contribution present
+ # in both direction of the 2D which must be subtracted when
+ # converting to 1D: dq_overlap should calculated ideally at
+ # q = 0. Note This method works on only pinhole geometry.
+ # Extrapolate dqx(r) and dqy(phi) at q = 0, and take an average.
+ z_max = max(data2D.q_data)
+ z_min = min(data2D.q_data)
+ x_max = data2D.dqx_data[data2D.q_data[z_max]]
+ x_min = data2D.dqx_data[data2D.q_data[z_min]]
+ y_max = data2D.dqy_data[data2D.q_data[z_max]]
+ y_min = data2D.dqy_data[data2D.q_data[z_min]]
+ # Find qdx at q = 0
+ dq_overlap_x = (x_min * z_max - x_max * z_min) / (z_max - z_min)
+ # when extrapolation goes wrong
+ if dq_overlap_x > min(data2D.dqx_data):
+ dq_overlap_x = min(data2D.dqx_data)
+ dq_overlap_x *= dq_overlap_x
+ # Find qdx at q = 0
+ dq_overlap_y = (y_min * z_max - y_max * z_min) / (z_max - z_min)
+ # when extrapolation goes wrong
+ if dq_overlap_y > min(data2D.dqy_data):
+ dq_overlap_y = min(data2D.dqy_data)
+ # get dq at q=0.
+ dq_overlap_y *= dq_overlap_y
+
+ dq_overlap = numpy.sqrt((dq_overlap_x + dq_overlap_y) / 2.0)
+ # Final protection of dq
+ if dq_overlap < 0:
+ dq_overlap = y_min
+ dqx_data = data2D.dqx_data[numpy.isfinite(data2D.data)]
+ dqy_data = data2D.dqy_data[numpy.isfinite(data2D.data)] - dq_overlap
+ # def; dqx_data = dq_r dqy_data = dq_phi
+ # Convert dq 2D to 1D here
+ dqx = dqx_data * dqx_data
+ dqy = dqy_data * dqy_data
+ dq_data = numpy.add(dqx, dqy)
+ dq_data = numpy.sqrt(dq_data)
+
+ #q_data_max = numpy.max(q_data)
+ if len(data2D.q_data) == None:
+ msg = "Circular averaging: invalid q_data: %g" % data2D.q_data
+ raise RuntimeError, msg
+
+ # Build array of Q intervals
+ nbins = int(math.ceil((self.r_max - self.r_min) / self.bin_width))
+
+ x = numpy.zeros(nbins)
+ y = numpy.zeros(nbins)
+ err_y = numpy.zeros(nbins)
+ err_x = numpy.zeros(nbins)
+ y_counts = numpy.zeros(nbins)
+
+ for npt in range(len(data)):
+
+ if ismask and not mask_data[npt]:
+ continue
+
+ frac = 0
+
+ # q-value at the pixel (j,i)
+ q_value = q_data[npt]
+ data_n = data[npt]
+
+ ## No need to calculate the frac when all data are within range
+ if self.r_min >= self.r_max:
+ raise ValueError, "Limit Error: min > max"
+
+ if self.r_min <= q_value and q_value <= self.r_max:
+ frac = 1
+ if frac == 0:
+ continue
+ i_q = int(math.floor((q_value - self.r_min) / self.bin_width))
+
+ # Take care of the edge case at phi = 2pi.
+ if i_q == nbins:
+ i_q = nbins - 1
+ y[i_q] += frac * data_n
+ # Take dqs from data to get the q_average
+ x[i_q] += frac * q_value
+ if err_data == None or err_data[npt] == 0.0:
+ if data_n < 0:
+ data_n = -data_n
+ err_y[i_q] += frac * frac * data_n
+ else:
+ err_y[i_q] += frac * frac * err_data[npt] * err_data[npt]
+ if dq_data != None:
+ # To be consistent with dq calculation in 1d reduction,
+ # we need just the averages (not quadratures) because
+ # it should not depend on the number of the q points
+ # in the qr bins.
+ err_x[i_q] += frac * dq_data[npt]
+ else:
+ err_x = None
+ y_counts[i_q] += frac
+
+ # Average the sums
+ for n in range(nbins):
+ if err_y[n] < 0:
+ err_y[n] = -err_y[n]
+ err_y[n] = math.sqrt(err_y[n])
+ #if err_x != None:
+ # err_x[n] = math.sqrt(err_x[n])
+
+ err_y = err_y / y_counts
+ err_y[err_y == 0] = numpy.average(err_y)
+ y = y / y_counts
+ x = x / y_counts
+ idx = (numpy.isfinite(y)) & (numpy.isfinite(x))
+
+ if err_x != None:
+ d_x = err_x[idx] / y_counts[idx]
+ else:
+ d_x = None
+
+ if not idx.any():
+ msg = "Average Error: No points inside ROI to average..."
+ raise ValueError, msg
+
+ return Data1D(x=x[idx], y=y[idx], dy=err_y[idx], dx=d_x)
+
+
+class Ring(object):
+ """
+ Defines a ring on a 2D data set.
+ The ring is defined by r_min, r_max, and
+ the position of the center of the ring.
+
+ The data returned is the distribution of counts
+ around the ring as a function of phi.
+
+ Phi_min and phi_max should be defined between 0 and 2*pi
+ in anti-clockwise starting from the x- axis on the left-hand side
+ """
+ #Todo: remove center.
+ def __init__(self, r_min=0, r_max=0, center_x=0, center_y=0, nbins=36):
+ # Minimum radius
+ self.r_min = r_min
+ # Maximum radius
+ self.r_max = r_max
+ # Center of the ring in x
+ self.center_x = center_x
+ # Center of the ring in y
+ self.center_y = center_y
+ # Number of angular bins
+ self.nbins_phi = nbins
+
+
+ def __call__(self, data2D):
+ """
+ Apply the ring to the data set.
+ Returns the angular distribution for a given q range
+
+ :param data2D: Data2D object
+
+ :return: Data1D object
+ """
+ if data2D.__class__.__name__ not in ["Data2D", "plottable_2D"]:
+ raise RuntimeError, "Ring averaging only take plottable_2D objects"
+
+ Pi = math.pi
+
+ # Get data
+ data = data2D.data[numpy.isfinite(data2D.data)]
+ q_data = data2D.q_data[numpy.isfinite(data2D.data)]
+ err_data = data2D.err_data[numpy.isfinite(data2D.data)]
+ qx_data = data2D.qx_data[numpy.isfinite(data2D.data)]
+ qy_data = data2D.qy_data[numpy.isfinite(data2D.data)]
+
+ # Set space for 1d outputs
+ phi_bins = numpy.zeros(self.nbins_phi)
+ phi_counts = numpy.zeros(self.nbins_phi)
+ phi_values = numpy.zeros(self.nbins_phi)
+ phi_err = numpy.zeros(self.nbins_phi)
+
+ # Shift to apply to calculated phi values in order
+ # to center first bin at zero
+ phi_shift = Pi / self.nbins_phi
+
+ for npt in range(len(data)):
+ frac = 0
+ # q-value at the point (npt)
+ q_value = q_data[npt]
+ data_n = data[npt]
+
+ # phi-value at the point (npt)
+ phi_value = math.atan2(qy_data[npt], qx_data[npt]) + Pi
+
+ if self.r_min <= q_value and q_value <= self.r_max:
+ frac = 1
+ if frac == 0:
+ continue
+ # binning
+ i_phi = int(math.floor((self.nbins_phi) * \
+ (phi_value + phi_shift) / (2 * Pi)))
+
+ # Take care of the edge case at phi = 2pi.
+ if i_phi >= self.nbins_phi:
+ i_phi = 0
+ phi_bins[i_phi] += frac * data[npt]
+
+ if err_data == None or err_data[npt] == 0.0:
+ if data_n < 0:
+ data_n = -data_n
+ phi_err[i_phi] += frac * frac * math.fabs(data_n)
+ else:
+ phi_err[i_phi] += frac * frac * err_data[npt] * err_data[npt]
+ phi_counts[i_phi] += frac
+
+ for i in range(self.nbins_phi):
+ phi_bins[i] = phi_bins[i] / phi_counts[i]
+ phi_err[i] = math.sqrt(phi_err[i]) / phi_counts[i]
+ phi_values[i] = 2.0 * math.pi / self.nbins_phi * (1.0 * i)
+
+ idx = (numpy.isfinite(phi_bins))
+
+ if not idx.any():
+ msg = "Average Error: No points inside ROI to average..."
+ raise ValueError, msg
+ #elif len(phi_bins[idx])!= self.nbins_phi:
+ # print "resulted",self.nbins_phi- len(phi_bins[idx])
+ #,"empty bin(s) due to tight binning..."
+ return Data1D(x=phi_values[idx], y=phi_bins[idx], dy=phi_err[idx])
+
+
+def get_pixel_fraction(qmax, q_00, q_01, q_10, q_11):
+ """
+ Returns the fraction of the pixel defined by
+ the four corners (q_00, q_01, q_10, q_11) that
+ has q < qmax.::
+
+ q_01 q_11
+ y=1 +--------------+
+ | |
+ | |
+ | |
+ y=0 +--------------+
+ q_00 q_10
+
+ x=0 x=1
+
+ """
+ # y side for x = minx
+ x_0 = get_intercept(qmax, q_00, q_01)
+ # y side for x = maxx
+ x_1 = get_intercept(qmax, q_10, q_11)
+
+ # x side for y = miny
+ y_0 = get_intercept(qmax, q_00, q_10)
+ # x side for y = maxy
+ y_1 = get_intercept(qmax, q_01, q_11)
+
+ # surface fraction for a 1x1 pixel
+ frac_max = 0
+
+ if x_0 and x_1:
+ frac_max = (x_0 + x_1) / 2.0
+ elif y_0 and y_1:
+ frac_max = (y_0 + y_1) / 2.0
+ elif x_0 and y_0:
+ if q_00 < q_10:
+ frac_max = x_0 * y_0 / 2.0
+ else:
+ frac_max = 1.0 - x_0 * y_0 / 2.0
+ elif x_0 and y_1:
+ if q_00 < q_10:
+ frac_max = x_0 * y_1 / 2.0
+ else:
+ frac_max = 1.0 - x_0 * y_1 / 2.0
+ elif x_1 and y_0:
+ if q_00 > q_10:
+ frac_max = x_1 * y_0 / 2.0
+ else:
+ frac_max = 1.0 - x_1 * y_0 / 2.0
+ elif x_1 and y_1:
+ if q_00 < q_10:
+ frac_max = 1.0 - (1.0 - x_1) * (1.0 - y_1) / 2.0
+ else:
+ frac_max = (1.0 - x_1) * (1.0 - y_1) / 2.0
+
+ # If we make it here, there is no intercept between
+ # this pixel and the constant-q ring. We only need
+ # to know if we have to include it or exclude it.
+ elif (q_00 + q_01 + q_10 + q_11) / 4.0 < qmax:
+ frac_max = 1.0
+
+ return frac_max
+
+
+def get_intercept(q, q_0, q_1):
+ """
+ Returns the fraction of the side at which the
+ q-value intercept the pixel, None otherwise.
+ The values returned is the fraction ON THE SIDE
+ OF THE LOWEST Q. ::
+
+ A B
+ +-----------+--------+ <--- pixel size
+ 0 1
+ Q_0 -------- Q ----- Q_1 <--- equivalent Q range
+ if Q_1 > Q_0, A is returned
+ if Q_1 < Q_0, B is returned
+ if Q is outside the range of [Q_0, Q_1], None is returned
+
+ """
+ if q_1 > q_0:
+ if q > q_0 and q <= q_1:
+ return (q - q_0) / (q_1 - q_0)
+ else:
+ if q > q_1 and q <= q_0:
+ return (q - q_1) / (q_0 - q_1)
+ return None
+
+
+class _Sector(object):
+ """
+ Defines a sector region on a 2D data set.
+ The sector is defined by r_min, r_max, phi_min, phi_max,
+ and the position of the center of the ring
+ where phi_min and phi_max are defined by the right
+ and left lines wrt central line
+ and phi_max could be less than phi_min.
+
+ Phi is defined between 0 and 2*pi in anti-clockwise
+ starting from the x- axis on the left-hand side
+ """
+ def __init__(self, r_min, r_max, phi_min=0, phi_max=2 * math.pi, nbins=20):
+ self.r_min = r_min
+ self.r_max = r_max
+ self.phi_min = phi_min
+ self.phi_max = phi_max
+ self.nbins = nbins
+
+ def _agv(self, data2D, run='phi'):
+ """
+ Perform sector averaging.
+
+ :param data2D: Data2D object
+ :param run: define the varying parameter ('phi' , 'q' , or 'q2')
+
+ :return: Data1D object
+ """
+ if data2D.__class__.__name__ not in ["Data2D", "plottable_2D"]:
+ raise RuntimeError, "Ring averaging only take plottable_2D objects"
+ Pi = math.pi
+
+ # Get the all data & info
+ data = data2D.data[numpy.isfinite(data2D.data)]
+ q_data = data2D.q_data[numpy.isfinite(data2D.data)]
+ err_data = data2D.err_data[numpy.isfinite(data2D.data)]
+ qx_data = data2D.qx_data[numpy.isfinite(data2D.data)]
+ qy_data = data2D.qy_data[numpy.isfinite(data2D.data)]
+ dq_data = None
+
+ # Get the dq for resolution averaging
+ if data2D.dqx_data != None and data2D.dqy_data != None:
+ # The pinholes and det. pix contribution present
+ # in both direction of the 2D which must be subtracted when
+ # converting to 1D: dq_overlap should calculated ideally at
+ # q = 0.
+ # Extrapolate dqy(perp) at q = 0
+ z_max = max(data2D.q_data)
+ z_min = min(data2D.q_data)
+ x_max = data2D.dqx_data[data2D.q_data[z_max]]
+ x_min = data2D.dqx_data[data2D.q_data[z_min]]
+ y_max = data2D.dqy_data[data2D.q_data[z_max]]
+ y_min = data2D.dqy_data[data2D.q_data[z_min]]
+ # Find qdx at q = 0
+ dq_overlap_x = (x_min * z_max - x_max * z_min) / (z_max - z_min)
+ # when extrapolation goes wrong
+ if dq_overlap_x > min(data2D.dqx_data):
+ dq_overlap_x = min(data2D.dqx_data)
+ dq_overlap_x *= dq_overlap_x
+ # Find qdx at q = 0
+ dq_overlap_y = (y_min * z_max - y_max * z_min) / (z_max - z_min)
+ # when extrapolation goes wrong
+ if dq_overlap_y > min(data2D.dqy_data):
+ dq_overlap_y = min(data2D.dqy_data)
+ # get dq at q=0.
+ dq_overlap_y *= dq_overlap_y
+
+ dq_overlap = numpy.sqrt((dq_overlap_x + dq_overlap_y) / 2.0)
+ if dq_overlap < 0:
+ dq_overlap = y_min
+ dqx_data = data2D.dqx_data[numpy.isfinite(data2D.data)]
+ dqy_data = data2D.dqy_data[numpy.isfinite(data2D.data)] - dq_overlap
+ # def; dqx_data = dq_r dqy_data = dq_phi
+ # Convert dq 2D to 1D here
+ dqx = dqx_data * dqx_data
+ dqy = dqy_data * dqy_data
+ dq_data = numpy.add(dqx, dqy)
+ dq_data = numpy.sqrt(dq_data)
+
+ #set space for 1d outputs
+ x = numpy.zeros(self.nbins)
+ y = numpy.zeros(self.nbins)
+ y_err = numpy.zeros(self.nbins)
+ x_err = numpy.zeros(self.nbins)
+ y_counts = numpy.zeros(self.nbins)
+
+ # Get the min and max into the region: 0 <= phi < 2Pi
+ phi_min = flip_phi(self.phi_min)
+ phi_max = flip_phi(self.phi_max)
+
+ for n in range(len(data)):
+ frac = 0
+
+ # q-value at the pixel (j,i)
+ q_value = q_data[n]
+ data_n = data[n]
+
+ # Is pixel within range?
+ is_in = False
+
+ # phi-value of the pixel (j,i)
+ phi_value = math.atan2(qy_data[n], qx_data[n]) + Pi
+
+ ## No need to calculate the frac when all data are within range
+ if self.r_min <= q_value and q_value <= self.r_max:
+ frac = 1
+ if frac == 0:
+ continue
+ #In case of two ROIs (symmetric major and minor regions)(for 'q2')
+ if run.lower() == 'q2':
+ ## For minor sector wing
+ # Calculate the minor wing phis
+ phi_min_minor = flip_phi(phi_min - Pi)
+ phi_max_minor = flip_phi(phi_max - Pi)
+ # Check if phis of the minor ring is within 0 to 2pi
+ if phi_min_minor > phi_max_minor:
+ is_in = (phi_value > phi_min_minor or \
+ phi_value < phi_max_minor)
+ else:
+ is_in = (phi_value > phi_min_minor and \
+ phi_value < phi_max_minor)
+
+ #For all cases(i.e.,for 'q', 'q2', and 'phi')
+ #Find pixels within ROI
+ if phi_min > phi_max:
+ is_in = is_in or (phi_value > phi_min or \
+ phi_value < phi_max)
+ else:
+ is_in = is_in or (phi_value >= phi_min and \
+ phi_value < phi_max)
+
+ if not is_in:
+ frac = 0
+ if frac == 0:
+ continue
+ # Check which type of averaging we need
+ if run.lower() == 'phi':
+ temp_x = (self.nbins) * (phi_value - self.phi_min)
+ temp_y = (self.phi_max - self.phi_min)
+ i_bin = int(math.floor(temp_x / temp_y))
+ else:
+ temp_x = (self.nbins) * (q_value - self.r_min)
+ temp_y = (self.r_max - self.r_min)
+ i_bin = int(math.floor(temp_x / temp_y))
+
+ # Take care of the edge case at phi = 2pi.
+ if i_bin == self.nbins:
+ i_bin = self.nbins - 1
+
+ ## Get the total y
+ y[i_bin] += frac * data_n
+ x[i_bin] += frac * q_value
+ if err_data[n] == None or err_data[n] == 0.0:
+ if data_n < 0:
+ data_n = -data_n
+ y_err[i_bin] += frac * frac * data_n
+ else:
+ y_err[i_bin] += frac * frac * err_data[n] * err_data[n]
+
+ if dq_data != None:
+ # To be consistent with dq calculation in 1d reduction,
+ # we need just the averages (not quadratures) because
+ # it should not depend on the number of the q points
+ # in the qr bins.
+ x_err[i_bin] += frac * dq_data[n]
+ else:
+ x_err = None
+ y_counts[i_bin] += frac
+
+ # Organize the results
+ for i in range(self.nbins):
+ y[i] = y[i] / y_counts[i]
+ y_err[i] = math.sqrt(y_err[i]) / y_counts[i]
+
+ # The type of averaging: phi,q2, or q
+ # Calculate x[i]should be at the center of the bin
+ if run.lower() == 'phi':
+ x[i] = (self.phi_max - self.phi_min) / self.nbins * \
+ (1.0 * i + 0.5) + self.phi_min
+ else:
+ # We take the center of ring area, not radius.
+ # This is more accurate than taking the radial center of ring.
+ #delta_r = (self.r_max - self.r_min) / self.nbins
+ #r_inner = self.r_min + delta_r * i
+ #r_outer = r_inner + delta_r
+ #x[i] = math.sqrt((r_inner * r_inner + r_outer * r_outer) / 2)
+ x[i] = x[i] / y_counts[i]
+ y_err[y_err == 0] = numpy.average(y_err)
+ idx = (numpy.isfinite(y) & numpy.isfinite(y_err))
+ if x_err != None:
+ d_x = x_err[idx] / y_counts[idx]
+ else:
+ d_x = None
+ if not idx.any():
+ msg = "Average Error: No points inside sector of ROI to average..."
+ raise ValueError, msg
+ #elif len(y[idx])!= self.nbins:
+ # print "resulted",self.nbins- len(y[idx]),
+ #"empty bin(s) due to tight binning..."
+ return Data1D(x=x[idx], y=y[idx], dy=y_err[idx], dx=d_x)
+
+
+class SectorPhi(_Sector):
+ """
+ Sector average as a function of phi.
+ I(phi) is return and the data is averaged over Q.
+
+ A sector is defined by r_min, r_max, phi_min, phi_max.
+ The number of bin in phi also has to be defined.
+ """
+ def __call__(self, data2D):
+ """
+ Perform sector average and return I(phi).
+
+ :param data2D: Data2D object
+ :return: Data1D object
+ """
+ return self._agv(data2D, 'phi')
+
+
+class SectorQ(_Sector):
+ """
+ Sector average as a function of Q for both symatric wings.
+ I(Q) is return and the data is averaged over phi.
+
+ A sector is defined by r_min, r_max, phi_min, phi_max.
+ r_min, r_max, phi_min, phi_max >0.
+ The number of bin in Q also has to be defined.
+ """
+ def __call__(self, data2D):
+ """
+ Perform sector average and return I(Q).
+
+ :param data2D: Data2D object
+
+ :return: Data1D object
+ """
+ return self._agv(data2D, 'q2')
+
+
+class Ringcut(object):
+ """
+ Defines a ring on a 2D data set.
+ The ring is defined by r_min, r_max, and
+ the position of the center of the ring.
+
+ The data returned is the region inside the ring
+
+ Phi_min and phi_max should be defined between 0 and 2*pi
+ in anti-clockwise starting from the x- axis on the left-hand side
+ """
+ def __init__(self, r_min=0, r_max=0, center_x=0, center_y=0):
+ # Minimum radius
+ self.r_min = r_min
+ # Maximum radius
+ self.r_max = r_max
+ # Center of the ring in x
+ self.center_x = center_x
+ # Center of the ring in y
+ self.center_y = center_y
+
+ def __call__(self, data2D):
+ """
+ Apply the ring to the data set.
+ Returns the angular distribution for a given q range
+
+ :param data2D: Data2D object
+
+ :return: index array in the range
+ """
+ if data2D.__class__.__name__ not in ["Data2D", "plottable_2D"]:
+ raise RuntimeError, "Ring cut only take plottable_2D objects"
+
+ # Get data
+ qx_data = data2D.qx_data
+ qy_data = data2D.qy_data
+ q_data = numpy.sqrt(qx_data * qx_data + qy_data * qy_data)
+
+ # check whether or not the data point is inside ROI
+ out = (self.r_min <= q_data) & (self.r_max >= q_data)
+ return out
+
+
+class Boxcut(object):
+ """
+ Find a rectangular 2D region of interest.
+ """
+ def __init__(self, x_min=0.0, x_max=0.0, y_min=0.0, y_max=0.0):
+ # Minimum Qx value [A-1]
+ self.x_min = x_min
+ # Maximum Qx value [A-1]
+ self.x_max = x_max
+ # Minimum Qy value [A-1]
+ self.y_min = y_min
+ # Maximum Qy value [A-1]
+ self.y_max = y_max
+
+ def __call__(self, data2D):
+ """
+ Find a rectangular 2D region of interest.
+
+ :param data2D: Data2D object
+ :return: mask, 1d array (len = len(data))
+ with Trues where the data points are inside ROI, otherwise False
+ """
+ mask = self._find(data2D)
+
+ return mask
+
+ def _find(self, data2D):
+ """
+ Find a rectangular 2D region of interest.
+
+ :param data2D: Data2D object
+
+ :return: out, 1d array (length = len(data))
+ with Trues where the data points are inside ROI, otherwise Falses
+ """
+ if data2D.__class__.__name__ not in ["Data2D", "plottable_2D"]:
+ raise RuntimeError, "Boxcut take only plottable_2D objects"
+ # Get qx_ and qy_data
+ qx_data = data2D.qx_data
+ qy_data = data2D.qy_data
+
+ # check whether or not the data point is inside ROI
+ outx = (self.x_min <= qx_data) & (self.x_max > qx_data)
+ outy = (self.y_min <= qy_data) & (self.y_max > qy_data)
+
+ return outx & outy
+
+
+class Sectorcut(object):
+ """
+ Defines a sector (major + minor) region on a 2D data set.
+ The sector is defined by phi_min, phi_max,
+ where phi_min and phi_max are defined by the right
+ and left lines wrt central line.
+
+ Phi_min and phi_max are given in units of radian
+ and (phi_max-phi_min) should not be larger than pi
+ """
+ def __init__(self, phi_min=0, phi_max=math.pi):
+ self.phi_min = phi_min
+ self.phi_max = phi_max
+
+ def __call__(self, data2D):
+ """
+ Find a rectangular 2D region of interest.
+
+ :param data2D: Data2D object
+
+ :return: mask, 1d array (len = len(data))
+
+ with Trues where the data points are inside ROI, otherwise False
+ """
+ mask = self._find(data2D)
+
+ return mask
+
+ def _find(self, data2D):
+ """
+ Find a rectangular 2D region of interest.
+
+ :param data2D: Data2D object
+
+ :return: out, 1d array (length = len(data))
+
+ with Trues where the data points are inside ROI, otherwise Falses
+ """
+ if data2D.__class__.__name__ not in ["Data2D", "plottable_2D"]:
+ raise RuntimeError, "Sectorcut take only plottable_2D objects"
+ Pi = math.pi
+ # Get data
+ qx_data = data2D.qx_data
+ qy_data = data2D.qy_data
+
+ # get phi from data
+ phi_data = numpy.arctan2(qy_data, qx_data)
+
+ # Get the min and max into the region: -pi <= phi < Pi
+ phi_min_major = flip_phi(self.phi_min + Pi) - Pi
+ phi_max_major = flip_phi(self.phi_max + Pi) - Pi
+ # check for major sector
+ if phi_min_major > phi_max_major:
+ out_major = (phi_min_major <= phi_data) + (phi_max_major > phi_data)
+ else:
+ out_major = (phi_min_major <= phi_data) & (phi_max_major > phi_data)
+
+ # minor sector
+ # Get the min and max into the region: -pi <= phi < Pi
+ phi_min_minor = flip_phi(self.phi_min) - Pi
+ phi_max_minor = flip_phi(self.phi_max) - Pi
+
+ # check for minor sector
+ if phi_min_minor > phi_max_minor:
+ out_minor = (phi_min_minor <= phi_data) + \
+ (phi_max_minor >= phi_data)
+ else:
+ out_minor = (phi_min_minor <= phi_data) & \
+ (phi_max_minor >= phi_data)
+ out = out_major + out_minor
+
+ return out
diff --git a/src/sas/sascalc/dataloader/readers/IgorReader.py b/src/sas/sascalc/dataloader/readers/IgorReader.py
new file mode 100644
index 0000000..c461691
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/IgorReader.py
@@ -0,0 +1,304 @@
+"""
+ IGOR 2D reduced file reader
+"""
+############################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#If you use DANSE applications to do scientific research that leads to
+#publication, we ask that you acknowledge the use of the software with the
+#following sentence:
+#This work benefited from DANSE software developed under NSF award DMR-0520547.
+#copyright 2008, University of Tennessee
+#############################################################################
+import os
+import numpy
+import math
+#import logging
+from sas.sascalc.dataloader.data_info import Data2D
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sascalc.dataloader.manipulations import reader2D_converter
+
+# Look for unit converter
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+
+
+class Reader:
+ """ Simple data reader for Igor data files """
+ ## File type
+ type_name = "IGOR 2D"
+ ## Wildcards
+ type = ["IGOR 2D files (*.ASC)|*.ASC"]
+ ## Extension
+ ext=['.ASC', '.asc']
+
+ def read(self, filename=None):
+ """ Read file """
+ if not os.path.isfile(filename):
+ raise ValueError, \
+ "Specified file %s is not a regular file" % filename
+
+ # Read file
+ f = open(filename, 'r')
+ buf = f.read()
+
+ # Instantiate data object
+ output = Data2D()
+ output.filename = os.path.basename(filename)
+ detector = Detector()
+ if len(output.detector) > 0:
+ print str(output.detector[0])
+ output.detector.append(detector)
+
+ # Get content
+ dataStarted = False
+
+ lines = buf.split('\n')
+ itot = 0
+ x = []
+ y = []
+
+ ncounts = 0
+
+ xmin = None
+ xmax = None
+ ymin = None
+ ymax = None
+
+ i_x = 0
+ i_y = -1
+ i_tot_row = 0
+
+ isInfo = False
+ isCenter = False
+
+ data_conv_q = None
+ data_conv_i = None
+
+ if has_converter == True and output.Q_unit != '1/A':
+ data_conv_q = Converter('1/A')
+ # Test it
+ data_conv_q(1.0, output.Q_unit)
+
+ if has_converter == True and output.I_unit != '1/cm':
+ data_conv_i = Converter('1/cm')
+ # Test it
+ data_conv_i(1.0, output.I_unit)
+
+ for line in lines:
+
+ # Find setup info line
+ if isInfo:
+ isInfo = False
+ line_toks = line.split()
+ # Wavelength in Angstrom
+ try:
+ wavelength = float(line_toks[1])
+ except:
+ msg = "IgorReader: can't read this file, missing wavelength"
+ raise ValueError, msg
+
+ #Find # of bins in a row assuming the detector is square.
+ if dataStarted == True:
+ try:
+ value = float(line)
+ except:
+ # Found a non-float entry, skip it
+ continue
+
+ # Get total bin number
+
+ i_tot_row += 1
+ i_tot_row = math.ceil(math.sqrt(i_tot_row)) - 1
+ #print "i_tot", i_tot_row
+ size_x = i_tot_row # 192#128
+ size_y = i_tot_row # 192#128
+ output.data = numpy.zeros([size_x, size_y])
+ output.err_data = numpy.zeros([size_x, size_y])
+
+ #Read Header and 2D data
+ for line in lines:
+ # Find setup info line
+ if isInfo:
+ isInfo = False
+ line_toks = line.split()
+ # Wavelength in Angstrom
+ try:
+ wavelength = float(line_toks[1])
+ except:
+ msg = "IgorReader: can't read this file, missing wavelength"
+ raise ValueError, msg
+ # Distance in meters
+ try:
+ distance = float(line_toks[3])
+ except:
+ msg = "IgorReader: can't read this file, missing distance"
+ raise ValueError, msg
+
+ # Distance in meters
+ try:
+ transmission = float(line_toks[4])
+ except:
+ msg = "IgorReader: can't read this file, "
+ msg += "missing transmission"
+ raise ValueError, msg
+
+ if line.count("LAMBDA") > 0:
+ isInfo = True
+
+ # Find center info line
+ if isCenter:
+ isCenter = False
+ line_toks = line.split()
+
+ # Center in bin number: Must substrate 1 because
+ #the index starts from 1
+ center_x = float(line_toks[0]) - 1
+ center_y = float(line_toks[1]) - 1
+
+ if line.count("BCENT") > 0:
+ isCenter = True
+
+ # Find data start
+ if line.count("***")>0:
+ dataStarted = True
+
+ # Check that we have all the info
+ if wavelength == None \
+ or distance == None \
+ or center_x == None \
+ or center_y == None:
+ msg = "IgorReader:Missing information in data file"
+ raise ValueError, msg
+
+ if dataStarted == True:
+ try:
+ value = float(line)
+ except:
+ # Found a non-float entry, skip it
+ continue
+
+ # Get bin number
+ if math.fmod(itot, i_tot_row) == 0:
+ i_x = 0
+ i_y += 1
+ else:
+ i_x += 1
+
+ output.data[i_y][i_x] = value
+ ncounts += 1
+
+ # Det 640 x 640 mm
+ # Q = 4pi/lambda sin(theta/2)
+ # Bin size is 0.5 cm
+ #REmoved +1 from theta = (i_x-center_x+1)*0.5 / distance
+ # / 100.0 and
+ #REmoved +1 from theta = (i_y-center_y+1)*0.5 /
+ # distance / 100.0
+ #ToDo: Need complete check if the following
+ # covert process is consistent with fitting.py.
+ theta = (i_x - center_x) * 0.5 / distance / 100.0
+ qx = 4.0 * math.pi / wavelength * math.sin(theta/2.0)
+
+ if has_converter == True and output.Q_unit != '1/A':
+ qx = data_conv_q(qx, units=output.Q_unit)
+
+ if xmin == None or qx < xmin:
+ xmin = qx
+ if xmax == None or qx > xmax:
+ xmax = qx
+
+ theta = (i_y - center_y) * 0.5 / distance / 100.0
+ qy = 4.0 * math.pi / wavelength * math.sin(theta / 2.0)
+
+ if has_converter == True and output.Q_unit != '1/A':
+ qy = data_conv_q(qy, units=output.Q_unit)
+
+ if ymin == None or qy < ymin:
+ ymin = qy
+ if ymax == None or qy > ymax:
+ ymax = qy
+
+ if not qx in x:
+ x.append(qx)
+ if not qy in y:
+ y.append(qy)
+
+ itot += 1
+
+
+ theta = 0.25 / distance / 100.0
+ xstep = 4.0 * math.pi / wavelength * math.sin(theta / 2.0)
+
+ theta = 0.25 / distance / 100.0
+ ystep = 4.0 * math.pi/ wavelength * math.sin(theta / 2.0)
+
+ # Store all data ######################################
+ # Store wavelength
+ if has_converter == True and output.source.wavelength_unit != 'A':
+ conv = Converter('A')
+ wavelength = conv(wavelength, units=output.source.wavelength_unit)
+ output.source.wavelength = wavelength
+
+ # Store distance
+ if has_converter == True and detector.distance_unit != 'm':
+ conv = Converter('m')
+ distance = conv(distance, units=detector.distance_unit)
+ detector.distance = distance
+
+ # Store transmission
+ output.sample.transmission = transmission
+
+ # Store pixel size
+ pixel = 5.0
+ if has_converter == True and detector.pixel_size_unit != 'mm':
+ conv = Converter('mm')
+ pixel = conv(pixel, units=detector.pixel_size_unit)
+ detector.pixel_size.x = pixel
+ detector.pixel_size.y = pixel
+
+ # Store beam center in distance units
+ detector.beam_center.x = center_x * pixel
+ detector.beam_center.y = center_y * pixel
+
+ # Store limits of the image (2D array)
+ xmin = xmin - xstep / 2.0
+ xmax = xmax + xstep / 2.0
+ ymin = ymin - ystep / 2.0
+ ymax = ymax + ystep / 2.0
+ if has_converter == True and output.Q_unit != '1/A':
+ xmin = data_conv_q(xmin, units=output.Q_unit)
+ xmax = data_conv_q(xmax, units=output.Q_unit)
+ ymin = data_conv_q(ymin, units=output.Q_unit)
+ ymax = data_conv_q(ymax, units=output.Q_unit)
+ output.xmin = xmin
+ output.xmax = xmax
+ output.ymin = ymin
+ output.ymax = ymax
+
+ # Store x and y axis bin centers
+ output.x_bins = x
+ output.y_bins = y
+
+ # Units
+ if data_conv_q is not None:
+ output.xaxis("\\rm{Q_{x}}", output.Q_unit)
+ output.yaxis("\\rm{Q_{y}}", output.Q_unit)
+ else:
+ output.xaxis("\\rm{Q_{x}}", 'A^{-1}')
+ output.yaxis("\\rm{Q_{y}}", 'A^{-1}')
+
+ if data_conv_i is not None:
+ output.zaxis("\\rm{Intensity}", output.I_unit)
+ else:
+ output.zaxis("\\rm{Intensity}", "cm^{-1}")
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ output = reader2D_converter(output)
+
+ return output
diff --git a/src/sas/sascalc/dataloader/readers/__init__.py b/src/sas/sascalc/dataloader/readers/__init__.py
new file mode 100644
index 0000000..564bc7a
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/__init__.py
@@ -0,0 +1,13 @@
+# Backward compatibility with the previous implementation of the default readers
+from associations import register_readers
+
+# Method to associate extensions to default readers
+from associations import read_associations
+
+# Method to return the location of the XML settings file
+def get_data_path():
+ """
+ Return the location of the settings file for the data readers.
+ """
+ import os
+ return os.path.dirname(__file__)
\ No newline at end of file
diff --git a/src/sas/sascalc/dataloader/readers/abs_reader.py b/src/sas/sascalc/dataloader/readers/abs_reader.py
new file mode 100644
index 0000000..5906df7
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/abs_reader.py
@@ -0,0 +1,249 @@
+"""
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+
+import numpy
+import os
+from sas.sascalc.dataloader.data_info import Data1D
+from sas.sascalc.dataloader.data_info import Detector
+
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+
+
+class Reader:
+ """
+ Class to load IGOR reduced .ABS files
+ """
+ ## File type
+ type_name = "IGOR 1D"
+ ## Wildcards
+ type = ["IGOR 1D files (*.abs)|*.abs"]
+ ## List of allowed extensions
+ ext = ['.abs', '.ABS']
+
+ def read(self, path):
+ """
+ Load data file.
+
+ :param path: file path
+
+ :return: Data1D object, or None
+
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+ """
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ root, extension = os.path.splitext(basename)
+ if extension.lower() in self.ext:
+ try:
+ input_f = open(path,'r')
+ except:
+ raise RuntimeError, "abs_reader: cannot open %s" % path
+ buff = input_f.read()
+ lines = buff.split('\n')
+ x = numpy.zeros(0)
+ y = numpy.zeros(0)
+ dy = numpy.zeros(0)
+ dx = numpy.zeros(0)
+ output = Data1D(x, y, dy=dy, dx=dx)
+ detector = Detector()
+ output.detector.append(detector)
+ output.filename = basename
+
+ is_info = False
+ is_center = False
+ is_data_started = False
+
+ data_conv_q = None
+ data_conv_i = None
+
+ if has_converter == True and output.x_unit != '1/A':
+ data_conv_q = Converter('1/A')
+ # Test it
+ data_conv_q(1.0, output.x_unit)
+
+ if has_converter == True and output.y_unit != '1/cm':
+ data_conv_i = Converter('1/cm')
+ # Test it
+ data_conv_i(1.0, output.y_unit)
+
+ for line in lines:
+
+ # Information line 1
+ if is_info == True:
+ is_info = False
+ line_toks = line.split()
+
+ # Wavelength in Angstrom
+ try:
+ value = float(line_toks[1])
+ if has_converter == True and \
+ output.source.wavelength_unit != 'A':
+ conv = Converter('A')
+ output.source.wavelength = conv(value,
+ units=output.source.wavelength_unit)
+ else:
+ output.source.wavelength = value
+ except:
+ #goes to ASC reader
+ msg = "abs_reader: cannot open %s" % path
+ raise RuntimeError, msg
+
+ # Distance in meters
+ try:
+ value = float(line_toks[3])
+ if has_converter == True and \
+ detector.distance_unit != 'm':
+ conv = Converter('m')
+ detector.distance = conv(value,
+ units=detector.distance_unit)
+ else:
+ detector.distance = value
+ except:
+ #goes to ASC reader
+ msg = "abs_reader: cannot open %s" % path
+ raise RuntimeError, msg
+ # Transmission
+ try:
+ output.sample.transmission = float(line_toks[4])
+ except:
+ # Transmission is not a mandatory entry
+ pass
+
+ # Thickness in mm
+ try:
+ value = float(line_toks[5])
+ if has_converter == True and \
+ output.sample.thickness_unit != 'cm':
+ conv = Converter('cm')
+ output.sample.thickness = conv(value,
+ units=output.sample.thickness_unit)
+ else:
+ output.sample.thickness = value
+ except:
+ # Thickness is not a mandatory entry
+ pass
+
+ #MON CNT LAMBDA DET ANG DET DIST TRANS THICK
+ # AVE STEP
+ if line.count("LAMBDA") > 0:
+ is_info = True
+
+ # Find center info line
+ if is_center == True:
+ is_center = False
+ line_toks = line.split()
+ # Center in bin number
+ center_x = float(line_toks[0])
+ center_y = float(line_toks[1])
+
+ # Bin size
+ if has_converter == True and \
+ detector.pixel_size_unit != 'mm':
+ conv = Converter('mm')
+ detector.pixel_size.x = conv(5.0,
+ units=detector.pixel_size_unit)
+ detector.pixel_size.y = conv(5.0,
+ units=detector.pixel_size_unit)
+ else:
+ detector.pixel_size.x = 5.0
+ detector.pixel_size.y = 5.0
+
+ # Store beam center in distance units
+ # Det 640 x 640 mm
+ if has_converter == True and \
+ detector.beam_center_unit != 'mm':
+ conv = Converter('mm')
+ detector.beam_center.x = conv(center_x * 5.0,
+ units=detector.beam_center_unit)
+ detector.beam_center.y = conv(center_y * 5.0,
+ units=detector.beam_center_unit)
+ else:
+ detector.beam_center.x = center_x * 5.0
+ detector.beam_center.y = center_y * 5.0
+
+ # Detector type
+ try:
+ detector.name = line_toks[7]
+ except:
+ # Detector name is not a mandatory entry
+ pass
+
+ #BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L
+ # BSTOP(mm) DET_TYP
+ if line.count("BCENT") > 0:
+ is_center = True
+
+ # Parse the data
+ if is_data_started == True:
+ toks = line.split()
+
+ try:
+ _x = float(toks[0])
+ _y = float(toks[1])
+ _dy = float(toks[2])
+ _dx = float(toks[3])
+
+ if data_conv_q is not None:
+ _x = data_conv_q(_x, units=output.x_unit)
+ _dx = data_conv_i(_dx, units=output.x_unit)
+
+ if data_conv_i is not None:
+ _y = data_conv_i(_y, units=output.y_unit)
+ _dy = data_conv_i(_dy, units=output.y_unit)
+
+ x = numpy.append(x, _x)
+ y = numpy.append(y, _y)
+ dy = numpy.append(dy, _dy)
+ dx = numpy.append(dx, _dx)
+
+ except:
+ # Could not read this data line. If we are here
+ # it is because we are in the data section. Just
+ # skip it.
+ pass
+
+ #The 6 columns are | Q (1/A) | I(Q) (1/cm) | std. dev.
+ # I(Q) (1/cm) | sigmaQ | meanQ | ShadowFactor|
+ if line.count("The 6 columns") > 0:
+ is_data_started = True
+
+ # Sanity check
+ if not len(y) == len(dy):
+ msg = "abs_reader: y and dy have different length"
+ raise ValueError, msg
+ # If the data length is zero, consider this as
+ # though we were not able to read the file.
+ if len(x) == 0:
+ raise ValueError, "ascii_reader: could not load file"
+
+ output.x = x[x != 0]
+ output.y = y[x != 0]
+ output.dy = dy[x != 0]
+ output.dx = dx[x != 0]
+ if data_conv_q is not None:
+ output.xaxis("\\rm{Q}", output.x_unit)
+ else:
+ output.xaxis("\\rm{Q}", 'A^{-1}')
+ if data_conv_i is not None:
+ output.yaxis("\\rm{Intensity}", output.y_unit)
+ else:
+ output.yaxis("\\rm{Intensity}", "cm^{-1}")
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ return output
+ else:
+ raise RuntimeError, "%s is not a file" % path
+ return None
diff --git a/src/sas/sascalc/dataloader/readers/anton_paar_saxs_reader.py b/src/sas/sascalc/dataloader/readers/anton_paar_saxs_reader.py
new file mode 100644
index 0000000..1f118a6
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/anton_paar_saxs_reader.py
@@ -0,0 +1,178 @@
+"""
+ CanSAS 2D data reader for reading HDF5 formatted CanSAS files.
+"""
+
+import numpy as np
+import re
+import os
+import sys
+
+from sas.sascalc.dataloader.readers.xml_reader import XMLreader
+from sas.sascalc.dataloader.data_info import plottable_1D, Data1D, Sample, Source
+from sas.sascalc.dataloader.data_info import Process, Aperture, Collimation, TransmissionSpectrum, Detector
+
+
+class Reader(XMLreader):
+ """
+ A class for reading in CanSAS v2.0 data files. The existing iteration opens Mantid generated HDF5 formatted files
+ with file extension .h5/.H5. Any number of data sets may be present within the file and any dimensionality of data
+ may be used. Currently 1D and 2D SAS data sets are supported, but future implementations will include 1D and 2D
+ SESANS data. This class assumes a single data set for each sasentry.
+
+ :Dependencies:
+ The CanSAS HDF5 reader requires h5py v2.5.0 or later.
+ """
+
+ ## Logged warnings or messages
+ logging = None
+ ## List of errors for the current data set
+ errors = None
+ ## Raw file contents to be processed
+ raw_data = None
+ ## Data set being modified
+ current_dataset = None
+ ## For recursion and saving purposes, remember parent objects
+ parent_list = None
+ ## Data type name
+ type_name = "Anton Paar SAXSess"
+ ## Wildcards
+ type = ["Anton Paar SAXSess Files (*.pdh)|*.pdh"]
+ ## List of allowed extensions
+ ext = ['.pdh', '.PDH']
+ ## Flag to bypass extension check
+ allow_all = False
+ ## List of files to return
+ output = None
+
+ def reset_state(self):
+ self.current_dataset = Data1D(np.empty(0), np.empty(0),
+ np.empty(0), np.empty(0))
+ self.datasets = []
+ self.raw_data = None
+ self.errors = set()
+ self.logging = []
+ self.output = []
+ self.detector = Detector()
+ self.collimation = Collimation()
+ self.aperture = Aperture()
+ self.process = Process()
+ self.source = Source()
+ self.sample = Sample()
+ self.trans_spectrum = TransmissionSpectrum()
+ self.upper = 5
+ self.lower = 5
+
+ def read(self, filename):
+ """
+ This is the general read method that all SasView data_loaders must have.
+
+ :param filename: A path for an XML formatted Anton Paar SAXSess data file.
+ :return: List of Data1D objects or a list of errors.
+ """
+
+ ## Reinitialize the class when loading a new data file to reset all class variables
+ self.reset_state()
+ ## Check that the file exists
+ if os.path.isfile(filename):
+ basename = os.path.basename(filename)
+ _, extension = os.path.splitext(basename)
+ # If the file type is not allowed, return empty list
+ if extension in self.ext or self.allow_all:
+ ## Load the data file
+ input_f = open(filename, 'r')
+ buff = input_f.read()
+ self.raw_data = buff.splitlines()
+ self.read_data()
+ return self.output
+
+ def read_data(self):
+ q_unit = "1/nm"
+ i_unit = "1/um^2"
+ self.current_dataset.title = self.raw_data[0]
+ self.current_dataset.meta_data["Keywords"] = self.raw_data[1]
+ line3 = self.raw_data[2].split()
+ line4 = self.raw_data[3].split()
+ line5 = self.raw_data[4].split()
+ self.data_points = int(line3[0])
+ self.lower = 5
+ self.upper = self.lower + self.data_points
+ self.source.radiation = 'x-ray'
+ normal = float(line4[3])
+ self.current_dataset.source.radiation = "x-ray"
+ self.current_dataset.source.name = "Anton Paar SAXSess Instrument"
+ self.current_dataset.source.wavelength = float(line4[4])
+ xvals = []
+ yvals = []
+ dyvals = []
+ for i in range(self.lower, self.upper):
+ index = i - self.lower
+ data = self.raw_data[i].split()
+ xvals.insert(index, normal * float(data[0]))
+ yvals.insert(index, normal * float(data[1]))
+ dyvals.insert(index, normal * float(data[2]))
+ self.current_dataset.x = np.append(self.current_dataset.x, xvals)
+ self.current_dataset.y = np.append(self.current_dataset.y, yvals)
+ self.current_dataset.dy = np.append(self.current_dataset.dy, dyvals)
+ if self.data_points != self.current_dataset.x.size:
+ self.errors.add("Not all data was loaded properly.")
+ if self.current_dataset.dx.size != self.current_dataset.x.size:
+ dxvals = np.zeros(self.current_dataset.x.size)
+ self.current_dataset.dx = dxvals
+ if self.current_dataset.x.size != self.current_dataset.y.size:
+ self.errors.add("The x and y data sets are not the same size.")
+ if self.current_dataset.y.size != self.current_dataset.dy.size:
+ self.errors.add("The y and dy datasets are not the same size.")
+ self.current_dataset.errors = self.errors
+ self.current_dataset.xaxis("Q", q_unit)
+ self.current_dataset.yaxis("Intensity", i_unit)
+ xml_intermediate = self.raw_data[self.upper:]
+ xml = ''.join(xml_intermediate)
+ self.set_xml_string(xml)
+ dom = self.xmlroot.xpath('/fileinfo')
+ self._parse_child(dom)
+ self.output.append(self.current_dataset)
+
+ def _parse_child(self, dom, parent=''):
+ """
+ Recursive method for stepping through the embedded XML
+ :param dom: XML node with or without children
+ """
+ for node in dom:
+ tagname = node.tag
+ value = node.text
+ attr = node.attrib
+ key = attr.get("key", '')
+ if len(node.getchildren()) > 1:
+ self._parse_child(node, key)
+ if key == "SampleDetector":
+ self.current_dataset.detector.append(self.detector)
+ self.detector = Detector()
+ else:
+ if key == "value":
+ if parent == "Wavelength":
+ self.current_dataset.source.wavelength = value
+ elif parent == "SampleDetector":
+ self.detector.distance = value
+ elif parent == "Temperature":
+ self.current_dataset.sample.temperature = value
+ elif parent == "CounterSlitLength":
+ self.detector.slit_length = value
+ elif key == "unit":
+ value = value.replace("_", "")
+ if parent == "Wavelength":
+ self.current_dataset.source.wavelength_unit = value
+ elif parent == "SampleDetector":
+ self.detector.distance_unit = value
+ elif parent == "X":
+ self.current_dataset.xaxis(self.current_dataset._xaxis, value)
+ elif parent == "Y":
+ self.current_dataset.yaxis(self.current_dataset._yaxis, value)
+ elif parent == "Temperature":
+ self.current_dataset.sample.temperature_unit = value
+ elif parent == "CounterSlitLength":
+ self.detector.slit_length_unit = value
+ elif key == "quantity":
+ if parent == "X":
+ self.current_dataset.xaxis(value, self.current_dataset._xunit)
+ elif parent == "Y":
+ self.current_dataset.yaxis(value, self.current_dataset._yunit)
diff --git a/src/sas/sascalc/dataloader/readers/ascii_reader.py b/src/sas/sascalc/dataloader/readers/ascii_reader.py
new file mode 100644
index 0000000..731d820
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/ascii_reader.py
@@ -0,0 +1,245 @@
+"""
+ ASCII reader
+"""
+############################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#If you use DANSE applications to do scientific research that leads to
+#publication, we ask that you acknowledge the use of the software with the
+#following sentence:
+#This work benefited from DANSE software developed under NSF award DMR-0520547.
+#copyright 2008, University of Tennessee
+#############################################################################
+
+
+import numpy
+import os
+from sas.sascalc.dataloader.data_info import Data1D
+
+# Check whether we have a converter available
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+_ZERO = 1e-16
+
+
+class Reader:
+ """
+ Class to load ascii files (2, 3 or 4 columns).
+ """
+ ## File type
+ type_name = "ASCII"
+
+ ## Wildcards
+ type = ["ASCII files (*.txt)|*.txt",
+ "ASCII files (*.dat)|*.dat",
+ "ASCII files (*.abs)|*.abs",
+ "CSV files (*.csv)|*.csv"]
+ ## List of allowed extensions
+ ext = ['.txt', '.TXT', '.dat', '.DAT', '.abs', '.ABS', 'csv', 'CSV']
+
+ ## Flag to bypass extension check
+ allow_all = True
+
+ def read(self, path):
+ """
+ Load data file
+
+ :param path: file path
+ :return: Data1D object, or None
+
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+ """
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ _, extension = os.path.splitext(basename)
+ if self.allow_all or extension.lower() in self.ext:
+ try:
+ # Read in binary mode since GRASP frequently has no-ascii
+ # characters that breaks the open operation
+ input_f = open(path,'rb')
+ except:
+ raise RuntimeError, "ascii_reader: cannot open %s" % path
+ buff = input_f.read()
+ lines = buff.splitlines()
+
+ # Arrays for data storage
+ tx = numpy.zeros(0)
+ ty = numpy.zeros(0)
+ tdy = numpy.zeros(0)
+ tdx = numpy.zeros(0)
+
+ # The first good line of data will define whether
+ # we have 2-column or 3-column ascii
+ has_error_dx = None
+ has_error_dy = None
+
+ #Initialize counters for data lines and header lines.
+ is_data = False
+ # More than "5" lines of data is considered as actual
+ # data unless that is the only data
+ min_data_pts = 5
+ # To count # of current data candidate lines
+ candidate_lines = 0
+ # To count total # of previous data candidate lines
+ candidate_lines_previous = 0
+ #minimum required number of columns of data
+ lentoks = 2
+ for line in lines:
+ toks = self.splitline(line)
+ # To remember the # of columns in the current line of data
+ new_lentoks = len(toks)
+ try:
+ if new_lentoks == 1 and not is_data:
+ ## If only one item in list, no longer data
+ raise ValueError
+ elif new_lentoks == 0:
+ ## If the line is blank, skip and continue on
+ ## In case of breaks within data sets.
+ continue
+ elif new_lentoks != lentoks and is_data:
+ ## If a footer is found, break the loop and save the data
+ break
+ elif new_lentoks != lentoks and not is_data:
+ ## If header lines are numerical
+ candidate_lines = 0
+ candidate_lines_previous = 0
+
+ #Make sure that all columns are numbers.
+ for colnum in range(len(toks)):
+ # Any non-floating point values throw ValueError
+ float(toks[colnum])
+
+ candidate_lines += 1
+ _x = float(toks[0])
+ _y = float(toks[1])
+ _dx = None
+ _dy = None
+
+ #If 5 or more lines, this is considering the set data
+ if candidate_lines >= min_data_pts:
+ is_data = True
+
+ # If a 3rd row is present, consider it dy
+ if new_lentoks > 2:
+ _dy = float(toks[2])
+ has_error_dy = False if _dy == None else True
+
+ # If a 4th row is present, consider it dx
+ if new_lentoks > 3:
+ _dx = float(toks[3])
+ has_error_dx = False if _dx == None else True
+
+ # Delete the previously stored lines of data candidates if
+ # the list is not data
+ if candidate_lines == 1 and -1 < candidate_lines_previous < min_data_pts and \
+ is_data == False:
+ try:
+ tx = numpy.zeros(0)
+ ty = numpy.zeros(0)
+ tdy = numpy.zeros(0)
+ tdx = numpy.zeros(0)
+ except:
+ pass
+
+ if has_error_dy == True:
+ tdy = numpy.append(tdy, _dy)
+ if has_error_dx == True:
+ tdx = numpy.append(tdx, _dx)
+ tx = numpy.append(tx, _x)
+ ty = numpy.append(ty, _y)
+
+ #To remember the # of columns on the current line
+ # for the next line of data
+ lentoks = new_lentoks
+ candidate_lines_previous = candidate_lines
+ except ValueError:
+ # It is data and meet non - number, then stop reading
+ if is_data == True:
+ break
+ lentoks = 2
+ has_error_dx = None
+ has_error_dy = None
+ #Reset # of lines of data candidates
+ candidate_lines = 0
+ except:
+ pass
+
+ input_f.close()
+ if not is_data:
+ msg = "ascii_reader: x has no data"
+ raise RuntimeError, msg
+ # Sanity check
+ if has_error_dy == True and not len(ty) == len(tdy):
+ msg = "ascii_reader: y and dy have different length"
+ raise RuntimeError, msg
+ if has_error_dx == True and not len(tx) == len(tdx):
+ msg = "ascii_reader: y and dy have different length"
+ raise RuntimeError, msg
+ # If the data length is zero, consider this as
+ # though we were not able to read the file.
+ if len(tx) == 0:
+ raise RuntimeError, "ascii_reader: could not load file"
+
+ #Let's re-order the data to make cal.
+ # curve look better some cases
+ ind = numpy.lexsort((ty, tx))
+ x = numpy.zeros(len(tx))
+ y = numpy.zeros(len(ty))
+ dy = numpy.zeros(len(tdy))
+ dx = numpy.zeros(len(tdx))
+ output = Data1D(x, y, dy=dy, dx=dx)
+ self.filename = output.filename = basename
+
+ for i in ind:
+ x[i] = tx[ind[i]]
+ y[i] = ty[ind[i]]
+ if has_error_dy == True:
+ dy[i] = tdy[ind[i]]
+ if has_error_dx == True:
+ dx[i] = tdx[ind[i]]
+ # Zeros in dx, dy
+ if has_error_dx:
+ dx[dx == 0] = _ZERO
+ if has_error_dy:
+ dy[dy == 0] = _ZERO
+ #Data
+ output.x = x[x != 0]
+ output.y = y[x != 0]
+ output.dy = dy[x != 0] if has_error_dy == True\
+ else numpy.zeros(len(output.y))
+ output.dx = dx[x != 0] if has_error_dx == True\
+ else numpy.zeros(len(output.x))
+
+ output.xaxis("\\rm{Q}", 'A^{-1}')
+ output.yaxis("\\rm{Intensity}", "cm^{-1}")
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ if len(output.x) < 1:
+ raise RuntimeError, "%s is empty" % path
+ return output
+
+ else:
+ raise RuntimeError, "%s is not a file" % path
+ return None
+
+ def splitline(self, line):
+ """
+ Splits a line into pieces based on common delimeters
+ :param line: A single line of text
+ :return: list of values
+ """
+ # Initial try for CSV (split on ,)
+ toks = line.split(',')
+ # Now try SCSV (split on ;)
+ if len(toks) < 2:
+ toks = line.split(';')
+ # Now go for whitespace
+ if len(toks) < 2:
+ toks = line.split()
+ return toks
\ No newline at end of file
diff --git a/src/sas/sascalc/dataloader/readers/associations.py b/src/sas/sascalc/dataloader/readers/associations.py
new file mode 100644
index 0000000..5d19e46
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/associations.py
@@ -0,0 +1,108 @@
+"""
+Module to associate default readers to file extensions.
+The module reads an xml file to get the readers for each file extension.
+The readers are tried in order they appear when reading a file.
+"""
+############################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#If you use DANSE applications to do scientific research that leads to
+#publication, we ask that you acknowledge the use of the software with the
+#following sentence:
+#This work benefited from DANSE software developed under NSF award DMR-0520547.
+#copyright 2009, University of Tennessee
+#############################################################################
+import os
+import sys
+import logging
+import json
+
+FILE_NAME = 'defaults.json'
+
+def read_associations(loader, settings=FILE_NAME):
+ """
+ Read the specified settings file to associate
+ default readers to file extension.
+
+ :param loader: Loader object
+ :param settings: path to the json settings file [string]
+ """
+ reader_dir = os.path.dirname(__file__)
+ path = os.path.join(reader_dir, settings)
+
+ # If we can't find the file in the installation
+ # directory, look into the execution directory.
+ if not os.path.isfile(path):
+ path = os.path.join(os.getcwd(), settings)
+ if not os.path.isfile(path):
+ path = os.path.join(sys.path[0], settings)
+ if not os.path.isfile(path):
+ path = settings
+ if not os.path.isfile(path):
+ path = "./%s" % settings
+ if os.path.isfile(path):
+ with open(path) as fh:
+ json_tree = json.load(fh)
+
+ # Read in the file extension associations
+ entry_list = json_tree['SasLoader']['FileType']
+
+ # For each FileType entry, get the associated reader and extension
+ for entry in entry_list:
+ reader = entry['-reader']
+ ext = entry['-extension']
+
+ if reader is not None and ext is not None:
+ # Associate the extension with a particular reader
+ # TODO: Modify the Register code to be case-insensitive
+ # and remove the extra line below.
+ try:
+ exec "import %s" % reader
+ exec "loader.associate_file_type('%s', %s)" % (ext.lower(),
+ reader)
+ exec "loader.associate_file_type('%s', %s)" % (ext.upper(),
+ reader)
+ except:
+ msg = "read_associations: skipping association"
+ msg += " for %s\n %s" % (ext.lower(), sys.exc_value)
+ logging.error(msg)
+ else:
+ print "Could not find reader association settings\n %s [%s]" % (__file__, os.getcwd())
+
+
+def register_readers(registry_function):
+ """
+ Function called by the registry/loader object to register
+ all default readers using a call back function.
+
+ :WARNING: this method is now obsolete
+
+ :param registry_function: function to be called to register each reader
+ """
+ logging.info("register_readers is now obsolete: use read_associations()")
+ import abs_reader
+ import ascii_reader
+ import cansas_reader
+ import danse_reader
+ import hfir1d_reader
+ import IgorReader
+ import red2d_reader
+ #import tiff_reader
+ import nexus_reader
+ import sesans_reader
+ import cansas_reader_HDF5
+ import anton_paar_saxs_reader
+ registry_function(sesans_reader)
+ registry_function(abs_reader)
+ registry_function(ascii_reader)
+ registry_function(cansas_reader)
+ registry_function(danse_reader)
+ registry_function(hfir1d_reader)
+ registry_function(IgorReader)
+ registry_function(red2d_reader)
+ #registry_function(tiff_reader)
+ registry_function(nexus_reader)
+ registry_function(cansas_reader_HDF5)
+ registry_function(anton_paar_saxs_reader)
+ return True
diff --git a/src/sas/sascalc/dataloader/readers/cansas_constants.py b/src/sas/sascalc/dataloader/readers/cansas_constants.py
new file mode 100644
index 0000000..0354719
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/cansas_constants.py
@@ -0,0 +1,447 @@
+"""
+Information relating to the CanSAS data format. These constants are used in
+the cansas_reader.py file to read in any version of the cansas format.
+"""
+class CansasConstants(object):
+ """
+ The base class to define where all of the data is to be saved by
+ cansas_reader.py.
+ """
+ names = ''
+ format = ''
+
+ def __init__(self):
+ self.names = self.CANSAS_NS
+ self.format = self.CANSAS_FORMAT
+
+ def iterate_namespace(self, namespace):
+ """
+ Method to iterate through a cansas constants tree based on a list of
+ names
+
+ :param namespace: A list of names that match the tree structure of
+ cansas_constants
+ """
+ # The current level to look through in cansas_constants.
+ return_me = CurrentLevel()
+ return_me.current_level = self.CANSAS_FORMAT.get("SASentry")
+ # Defaults for variable and datatype
+ return_me.ns_datatype = "content"
+ return_me.ns_optional = True
+ for name in namespace:
+ try:
+ if name != "SASentry":
+ return_me.current_level = \
+ return_me.current_level.get("children").get(name, "")
+ if return_me.current_level == "":
+ return_me.current_level = \
+ return_me.current_level.get("<any>", "")
+ cl_datatype = return_me.current_level.get("storeas", "")
+ cl_units_optional = \
+ return_me.current_level.get("units_optional", "")
+ # Where are how to store the variable for the given
+ # namespace CANSAS_CONSTANTS tree is hierarchical, so
+ # is no value, inherit
+ return_me.ns_datatype = cl_datatype if cl_datatype != "" \
+ else return_me.ns_datatype
+ return_me.ns_optional = cl_units_optional if \
+ cl_units_optional != return_me.ns_optional \
+ else return_me.ns_optional
+ except AttributeError:
+ return_me.ns_datatype = "content"
+ return_me.ns_optional = True
+ return return_me
+
+ def get_namespace_map(self):
+ """
+ Helper method to get the names namespace list
+ """
+ return self.names
+
+ # CANSAS_NS holds the base namespace and default schema file information
+ CANSAS_NS = {"1.0" : {"ns" : "cansas1d/1.0",
+ "schema" : "cansas1d_v1_0.xsd"
+ },
+ "1.1" : {"ns" : "urn:cansas1d:1.1",
+ "schema" : "cansas1d_v1_1.xsd"
+ }
+ }
+
+ # The constants below hold information on where to store the CanSAS data
+ # when loaded in using sasview
+ ANY = {"storeas" : "content"}
+ TITLE = {}
+ SASNOTE = {}
+ SASPROCESS_TERM = {"attributes" : {"unit" : {}, "name" : {}}}
+ SASPROCESS_SASPROCESSNOTE = {"children" : {"<any>" : ANY}}
+ SASPROCESS = {"children" : {"name" : {},
+ "date" : {},
+ "description" : {},
+ "term" : SASPROCESS_TERM,
+ "SASprocessnote" : SASPROCESS_SASPROCESSNOTE,
+ "<any>" : ANY
+ },
+ }
+ RUN = {"attributes" : {"name" :{}}}
+ SASDATA_IDATA_Q = {"units_optional" : False,
+ "storeas" : "float",
+ "unit" : "x_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}},
+ }
+ SASDATA_IDATA_I = {"units_optional" : False,
+ "storeas" : "float",
+ "unit" : "y_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}},
+ }
+ SASDATA_IDATA_IDEV = {"units_optional" : False,
+ "storeas" : "float",
+ "unit" : "y_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}},
+ }
+ SASDATA_IDATA_QDEV = {"units_optional" : False,
+ "storeas" : "float",
+ "unit" : "x_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}},
+ }
+ SASDATA_IDATA_DQL = {"units_optional" : False,
+ "storeas" : "float",
+ "unit" : "x_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}},
+ }
+ SASDATA_IDATA_DQW = {"units_optional" : False,
+ "storeas" : "float",
+ "unit" : "x_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}},
+ }
+ SASDATA_IDATA_QMEAN = {"unit" : "x_unit",
+ "attributes" : {"unit" : {}},
+ }
+ SASDATA_IDATA_SHADOWFACTOR = {}
+ SASDATA_IDATA = {"attributes" : {"name" : {},"timestamp" : {"storeas" : "timestamp"}},
+ "children" : {"Q" : SASDATA_IDATA_Q,
+ "I" : SASDATA_IDATA_I,
+ "Idev" : SASDATA_IDATA_IDEV,
+ "Qdev" : SASDATA_IDATA_QDEV,
+ "dQw" : SASDATA_IDATA_DQW,
+ "dQl" : SASDATA_IDATA_DQL,
+ "Qmean" : SASDATA_IDATA_QMEAN,
+ "Shadowfactor" : SASDATA_IDATA_SHADOWFACTOR,
+ "<any>" : ANY
+ }
+ }
+ SASDATA = {"attributes" : {"name" : {}},
+ "variable" : None,
+ "children" : {"Idata" : SASDATA_IDATA,
+ "Sesans": {"storeas": "content"},
+ "zacceptance": {"storeas": "float"},
+ "<any>" : ANY
+ }
+ }
+ SASTRANSSPEC_TDATA_LAMDBA = {"storeas" : "float",
+ "unit" : "wavelength_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}}
+ }
+ SASTRANSSPEC_TDATA_T = {"storeas" : "float",
+ "unit" : "transmission_unit",
+ "attributes" : {"unit" : {"storeas" : "content"}}
+ }
+ SASTRANSSPEC_TDATA_TDEV = {"storeas" : "float",
+ "unit" : "transmission_deviation_unit",
+ "attributes" : {"unit" :{"storeas" : "content"}}
+ }
+ SASTRANSSPEC_TDATA = {"children" : {"Lambda" : SASTRANSSPEC_TDATA_LAMDBA,
+ "T" : SASTRANSSPEC_TDATA_T,
+ "Tdev" : SASTRANSSPEC_TDATA_TDEV,
+ "<any>" : ANY,
+ }
+ }
+ SASTRANSSPEC = {"children" : {"Tdata" : SASTRANSSPEC_TDATA,
+ "<any>" : ANY,
+ },
+ "attributes" : {"name" :{}, "timestamp" : {},}
+ }
+ SASSAMPLE_THICK = {"unit" : "thickness_unit",
+ "storeas" : "float",
+ "attributes" : {"unit" :{}},
+ }
+ SASSAMPLE_TRANS = {"storeas" : "float",}
+ SASSAMPLE_TEMP = {"unit" : "temperature_unit",
+ "storeas" : "float",
+ "attributes" :{"unit" :{}},
+ }
+ SASSAMPLE_POS_ATTR = {"unit" : {}}
+ SASSAMPLE_POS_X = {"unit" : "position_unit",
+ "storeas" : "float",
+ "attributes" : SASSAMPLE_POS_ATTR
+ }
+ SASSAMPLE_POS_Y = {"unit" : "position_unit",
+ "storeas" : "float",
+ "attributes" : SASSAMPLE_POS_ATTR
+ }
+ SASSAMPLE_POS_Z = {"unit" : "position_unit",
+ "storeas" : "float",
+ "attributes" : SASSAMPLE_POS_ATTR
+ }
+ SASSAMPLE_POS = {"children" : {"x" : SASSAMPLE_POS_X,
+ "y" : SASSAMPLE_POS_Y,
+ "z" : SASSAMPLE_POS_Z,
+ },
+ }
+ SASSAMPLE_ORIENT_ATTR = {"unit" :{}}
+ SASSAMPLE_ORIENT_ROLL = {"unit" : "orientation_unit",
+ "storeas" : "float",
+ "attributes" : SASSAMPLE_ORIENT_ATTR
+ }
+ SASSAMPLE_ORIENT_PITCH = {"unit" : "orientation_unit",
+ "storeas" : "float",
+ "attributes" : SASSAMPLE_ORIENT_ATTR
+ }
+ SASSAMPLE_ORIENT_YAW = {"unit" : "orientation_unit",
+ "storeas" : "float",
+ "attributes" : SASSAMPLE_ORIENT_ATTR
+ }
+ SASSAMPLE_ORIENT = {"children" : {"roll" : SASSAMPLE_ORIENT_ROLL,
+ "pitch" : SASSAMPLE_ORIENT_PITCH,
+ "yaw" : SASSAMPLE_ORIENT_YAW,
+ },
+ }
+ SASSAMPLE = {"attributes" :
+ {"name" : {},},
+ "children" : {"ID" : {},
+ "thickness" : SASSAMPLE_THICK,
+ "transmission" : SASSAMPLE_TRANS,
+ "temperature" : SASSAMPLE_TEMP,
+ "position" : SASSAMPLE_POS,
+ "orientation" : SASSAMPLE_ORIENT,
+ "details" : {},
+ "<any>" : ANY
+ },
+ }
+ SASINSTR_SRC_BEAMSIZE_ATTR = {"unit" : ""}
+ SASINSTR_SRC_BEAMSIZE_X = {"unit" : "beam_size_unit",
+ "storeas" : "float",
+ "attributes" : SASINSTR_SRC_BEAMSIZE_ATTR
+ }
+ SASINSTR_SRC_BEAMSIZE_Y = {"unit" : "beam_size_unit",
+ "storeas" : "float",
+ "attributes" : SASINSTR_SRC_BEAMSIZE_ATTR
+ }
+ SASINSTR_SRC_BEAMSIZE_Z = {"unit" : "beam_size_unit",
+ "storeas" : "float",
+ "attributes" : SASINSTR_SRC_BEAMSIZE_ATTR
+ }
+ SASINSTR_SRC_BEAMSIZE = {"attributes" : {"name" : {}},
+ "children" : {"x" : SASINSTR_SRC_BEAMSIZE_X,
+ "y" : SASINSTR_SRC_BEAMSIZE_Y,
+ "z" : SASINSTR_SRC_BEAMSIZE_Z,
+ }
+ }
+ SASINSTR_SRC_WL = {"unit" : "wavelength_unit",
+ "storeas" : "float",
+ "attributes" : {"unit" :{},
+ }
+ }
+ SASINSTR_SRC_WL_MIN = {"unit" : "wavelength_min_unit",
+ "storeas" : "float",
+ "attributes" : {"unit" :{"storeas" : "content"},}
+ }
+ SASINSTR_SRC_WL_MAX = {"unit" : "wavelength_max_unit",
+ "storeas" : "float",
+ "attributes" : {"unit" :{"storeas" : "content"},}
+ }
+ SASINSTR_SRC_WL_SPR = {"unit" : "wavelength_spread_unit",
+ "storeas" : "float",
+ "attributes" : {"unit" : {"storeas" : "content"},}
+ }
+ SASINSTR_SRC = {"attributes" : {"name" : {}},
+ "children" : {"radiation" : {},
+ "beam_size" : SASINSTR_SRC_BEAMSIZE,
+ "beam_shape" : {},
+ "wavelength" : SASINSTR_SRC_WL,
+ "wavelength_min" : SASINSTR_SRC_WL_MIN,
+ "wavelength_max" : SASINSTR_SRC_WL_MAX,
+ "wavelength_spread" : SASINSTR_SRC_WL_SPR,
+ },
+ }
+ SASINSTR_COLL_APER_ATTR = {"unit" : {}}
+ SASINSTR_COLL_APER_X = {"unit" : "size_unit",
+ "storeas" : "float",
+ "attributes" : SASINSTR_COLL_APER_ATTR
+ }
+ SASINSTR_COLL_APER_Y = {"unit" : "size_unit",
+ "storeas" : "float",
+ "attributes" : SASINSTR_COLL_APER_ATTR
+ }
+ SASINSTR_COLL_APER_Z = {"unit" : "size_unit",
+ "storeas" : "float",
+ "attributes" : SASINSTR_COLL_APER_ATTR
+ }
+ SASINSTR_COLL_APER_SIZE = {"attributes" : {"unit" : {}},
+ "children" : {"storeas" : "float",
+ "x" : SASINSTR_COLL_APER_X,
+ "y" : SASINSTR_COLL_APER_Y,
+ "z" : SASINSTR_COLL_APER_Z,
+ }
+ }
+ SASINSTR_COLL_APER_DIST = {"storeas" : "float",
+ "attributes" : {"unit" : {}},
+ "unit" : "distance_unit",
+ }
+ SASINSTR_COLL_APER = {"attributes" : {"name" : {}, "type" : {}, },
+ "children" : {"size" : SASINSTR_COLL_APER_SIZE,
+ "distance" : SASINSTR_COLL_APER_DIST
+ }
+ }
+ SASINSTR_COLL = {"attributes" : {"name" : {}},
+ "children" :
+ {"length" :
+ {"unit" : "length_unit",
+ "storeas" : "float",
+ "attributes" : {"storeas" : "content", "unit" : {}},
+ },
+ "aperture" : SASINSTR_COLL_APER,
+ },
+ }
+ SASINSTR_DET_SDD = {"storeas" : "float",
+ "unit" : "distance_unit",
+ "attributes" : {"unit" :{}},
+ }
+ SASINSTR_DET_OFF_ATTR = {"unit" : {"storeas" : "content" }}
+ SASINSTR_DET_OFF_X = {"storeas" : "float",
+ "unit" : "offset_unit",
+ "attributes" : SASINSTR_DET_OFF_ATTR
+ }
+ SASINSTR_DET_OFF_Y = {"storeas" : "float",
+ "unit" : "offset_unit",
+ "attributes" : SASINSTR_DET_OFF_ATTR
+ }
+ SASINSTR_DET_OFF_Z = {"storeas" : "float",
+ "unit" : "offset_unit",
+ "attributes" : SASINSTR_DET_OFF_ATTR
+ }
+ SASINSTR_DET_OFF = {"children" : {"x" : SASINSTR_DET_OFF_X,
+ "y" : SASINSTR_DET_OFF_Y,
+ "z" : SASINSTR_DET_OFF_Z,
+ }
+ }
+ SASINSTR_DET_OR_ATTR = {}
+ SASINSTR_DET_OR_ROLL = {"storeas" : "float",
+ "unit" : "orientation_unit",
+ "attributes" : SASINSTR_DET_OR_ATTR
+ }
+ SASINSTR_DET_OR_PITCH = {"storeas" : "float",
+ "unit" : "orientation_unit",
+ "attributes" : SASINSTR_DET_OR_ATTR
+ }
+ SASINSTR_DET_OR_YAW = {"storeas" : "float",
+ "unit" : "orientation_unit",
+ "attributes" : SASINSTR_DET_OR_ATTR
+ }
+ SASINSTR_DET_OR = {"children" : {"roll" : SASINSTR_DET_OR_ROLL,
+ "pitch" : SASINSTR_DET_OR_PITCH,
+ "yaw" : SASINSTR_DET_OR_YAW,
+ }
+ }
+ SASINSTR_DET_BC_X = {"storeas" : "float",
+ "unit" : "beam_center_unit",
+ "attributes" : {"storeas" : "content"}
+ }
+ SASINSTR_DET_BC_Y = {"storeas" : "float",
+ "unit" : "beam_center_unit",
+ "attributes" : {"storeas" : "content"}
+ }
+ SASINSTR_DET_BC_Z = {"storeas" : "float",
+ "unit" : "beam_center_unit",
+ "attributes" : {"storeas" : "content"}
+ }
+ SASINSTR_DET_BC = {"children" : {"x" : SASINSTR_DET_BC_X,
+ "y" : SASINSTR_DET_BC_Y,
+ "z" : SASINSTR_DET_BC_Z,}
+ }
+ SASINSTR_DET_PIXEL_X = {"storeas" : "float",
+ "unit" : "pixel_size_unit",
+ "attributes" : {"storeas" : "content" }
+ }
+ SASINSTR_DET_PIXEL_Y = {"storeas" : "float",
+ "unit" : "pixel_size_unit",
+ "attributes" : {"storeas" : "content"}
+ }
+ SASINSTR_DET_PIXEL_Z = {"storeas" : "float",
+ "unit" : "pixel_size_unit",
+ "attributes" : {"storeas" : "content"}
+ }
+ SASINSTR_DET_PIXEL = {"children" : {"x" : SASINSTR_DET_PIXEL_X,
+ "y" : SASINSTR_DET_PIXEL_Y,
+ "z" : SASINSTR_DET_PIXEL_Z,
+ }
+ }
+ SASINSTR_DET_SLIT = {"storeas" : "float",
+ "unit" : "slit_length_unit",
+ "attributes" : {"unit" : {}}
+ }
+ SASINSTR_DET = {"attributes" : {"name" : {"storeas" : "content"}},
+ "children" : {"name" : {"storeas" : "content"},
+ "SDD" : SASINSTR_DET_SDD,
+ "offset" : SASINSTR_DET_OFF,
+ "orientation" : SASINSTR_DET_OR,
+ "beam_center" : SASINSTR_DET_BC,
+ "pixel_size" : SASINSTR_DET_PIXEL,
+ "slit_length" : SASINSTR_DET_SLIT,
+ }
+ }
+ SASINSTR = {"children" :
+ {"name" : {},
+ "SASsource" : SASINSTR_SRC,
+ "SAScollimation" : SASINSTR_COLL,
+ "SASdetector" : SASINSTR_DET,
+ },
+ }
+ CANSAS_FORMAT = {"SASentry" :
+ {"units_optional" : True,
+ "storeas" : "content",
+ "attributes" : {"name" : {}},
+ "children" : {"Title" : TITLE,
+ "Run" : RUN,
+ "SASdata" : SASDATA,
+ "SAStransmission_spectrum" : SASTRANSSPEC,
+ "SASsample" : SASSAMPLE,
+ "SASinstrument" : SASINSTR,
+ "SASprocess" : SASPROCESS,
+ "SASnote" : SASNOTE,
+ "<any>" : ANY,
+ }
+ }
+ }
+
+
+class CurrentLevel(object):
+ """
+ A helper class to hold information on where you are in the constants tree
+ """
+
+ current_level = ''
+ ns_datatype = ''
+ ns_optional = True
+
+ def __init__(self):
+ self.current_level = {}
+ self.ns_datatype = "content"
+ self.ns_optional = True
+
+ def get_current_level(self):
+ """
+ Helper method to get the current_level map
+ """
+ return self.current_level
+
+ def get_data_type(self):
+ """
+ Helper method to get the ns_datatype label
+ """
+ return self.ns_datatype
+
+ def get_variable(self):
+ """
+ Helper method to get the ns_variable label
+ """
+ return self.ns_variable
diff --git a/src/sas/sascalc/dataloader/readers/cansas_reader.py b/src/sas/sascalc/dataloader/readers/cansas_reader.py
new file mode 100644
index 0000000..06f4cdf
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/cansas_reader.py
@@ -0,0 +1,1553 @@
+"""
+ CanSAS data reader - new recursive cansas_version.
+"""
+############################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#If you use DANSE applications to do scientific research that leads to
+#publication, we ask that you acknowledge the use of the software with the
+#following sentence:
+#This work benefited from DANSE software developed under NSF award DMR-0520547.
+#copyright 2008,2009 University of Tennessee
+#############################################################################
+
+import logging
+import numpy as np
+import os
+import sys
+import datetime
+import inspect
+# For saving individual sections of data
+from sas.sascalc.dataloader.data_info import Data1D, Data2D, DataInfo, \
+ plottable_1D, plottable_2D
+from sas.sascalc.dataloader.data_info import Collimation, TransmissionSpectrum, \
+ Detector, Process, Aperture
+from sas.sascalc.dataloader.data_info import \
+ combine_data_info_with_plottable as combine_data
+import sas.sascalc.dataloader.readers.xml_reader as xml_reader
+from sas.sascalc.dataloader.readers.xml_reader import XMLreader
+from sas.sascalc.dataloader.readers.cansas_constants import CansasConstants, CurrentLevel
+
+# The following 2 imports *ARE* used. Do not remove either.
+import xml.dom.minidom
+from xml.dom.minidom import parseString
+
+PREPROCESS = "xmlpreprocess"
+ENCODING = "encoding"
+RUN_NAME_DEFAULT = "None"
+INVALID_SCHEMA_PATH_1_1 = "{0}/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_1.xsd"
+INVALID_SCHEMA_PATH_1_0 = "{0}/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_0.xsd"
+INVALID_XML = "\n\nThe loaded xml file, {0} does not fully meet the CanSAS v1.x specification. SasView loaded " + \
+ "as much of the data as possible.\n\n"
+HAS_CONVERTER = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except ImportError:
+ HAS_CONVERTER = False
+
+CONSTANTS = CansasConstants()
+CANSAS_FORMAT = CONSTANTS.format
+CANSAS_NS = CONSTANTS.names
+ALLOW_ALL = True
+
+class Reader(XMLreader):
+ """
+ Class to load cansas 1D XML files
+
+ :Dependencies:
+ The CanSAS reader requires PyXML 0.8.4 or later.
+ """
+ # CanSAS version - defaults to version 1.0
+ cansas_version = "1.0"
+ base_ns = "{cansas1d/1.0}"
+ cansas_defaults = None
+ type_name = "canSAS"
+ invalid = True
+ frm = ""
+ # Log messages and errors
+ logging = None
+ errors = set()
+ # Namespace hierarchy for current xml_file object
+ names = None
+ ns_list = None
+ # Temporary storage location for loading multiple data sets in a single file
+ current_datainfo = None
+ current_dataset = None
+ current_data1d = None
+ data = None
+ # List of data1D objects to be sent back to SasView
+ output = None
+ # Wildcards
+ type = ["XML files (*.xml)|*.xml", "SasView Save Files (*.svs)|*.svs"]
+ # List of allowed extensions
+ ext = ['.xml', '.XML', '.svs', '.SVS']
+ # Flag to bypass extension check
+ allow_all = True
+
+ def reset_state(self):
+ """
+ Resets the class state to a base case when loading a new data file so previous
+ data files do not appear a second time
+ """
+ self.current_datainfo = None
+ self.current_dataset = None
+ self.current_data1d = None
+ self.data = []
+ self.process = Process()
+ self.transspectrum = TransmissionSpectrum()
+ self.aperture = Aperture()
+ self.collimation = Collimation()
+ self.detector = Detector()
+ self.names = []
+ self.cansas_defaults = {}
+ self.output = []
+ self.ns_list = None
+ self.logging = []
+ self.encoding = None
+
+ def read(self, xml_file, schema_path="", invalid=True):
+ """
+ Validate and read in an xml_file file in the canSAS format.
+
+ :param xml_file: A canSAS file path in proper XML format
+ :param schema_path: A file path to an XML schema to validate the xml_file against
+ """
+ # For every file loaded, reset everything to a base state
+ self.reset_state()
+ self.invalid = invalid
+ # Check that the file exists
+ if os.path.isfile(xml_file):
+ basename, extension = os.path.splitext(os.path.basename(xml_file))
+ # If the file type is not allowed, return nothing
+ if extension in self.ext or self.allow_all:
+ # Get the file location of
+ self.load_file_and_schema(xml_file, schema_path)
+ self.add_data_set()
+ # Try to load the file, but raise an error if unable to.
+ # Check the file matches the XML schema
+ try:
+ self.is_cansas(extension)
+ self.invalid = False
+ # Get each SASentry from XML file and add it to a list.
+ entry_list = self.xmlroot.xpath(
+ '/ns:SASroot/ns:SASentry',
+ namespaces={'ns': self.cansas_defaults.get("ns")})
+ self.names.append("SASentry")
+
+ # Get all preprocessing events and encoding
+ self.set_processing_instructions()
+
+ # Parse each <SASentry> item
+ for entry in entry_list:
+ # Create a new DataInfo object for every <SASentry>
+
+ # Set the file name and then parse the entry.
+ self.current_datainfo.filename = basename + extension
+ self.current_datainfo.meta_data["loader"] = "CanSAS XML 1D"
+ self.current_datainfo.meta_data[PREPROCESS] = \
+ self.processing_instructions
+
+ # Parse the XML SASentry
+ self._parse_entry(entry)
+ # Combine datasets with datainfo
+ self.add_data_set()
+ except RuntimeError:
+ # If the file does not match the schema, raise this error
+ invalid_xml = self.find_invalid_xml()
+ if invalid_xml != "":
+ invalid_xml = INVALID_XML.format(basename + extension) + invalid_xml
+ self.errors.add(invalid_xml)
+ # Try again with an invalid CanSAS schema, that requires only a data set in each
+ base_name = xml_reader.__file__
+ base_name = base_name.replace("\\", "/")
+ base = base_name.split("/sas/")[0]
+ if self.cansas_version == "1.1":
+ invalid_schema = INVALID_SCHEMA_PATH_1_1.format(base, self.cansas_defaults.get("schema"))
+ else:
+ invalid_schema = INVALID_SCHEMA_PATH_1_0.format(base, self.cansas_defaults.get("schema"))
+ self.set_schema(invalid_schema)
+ try:
+ if self.invalid:
+ if self.is_cansas():
+ self.output = self.read(xml_file, invalid_schema, False)
+ else:
+ raise RuntimeError
+ else:
+ raise RuntimeError
+ except RuntimeError:
+ x = np.zeros(1)
+ y = np.zeros(1)
+ self.current_data1d = Data1D(x,y)
+ self.current_data1d.errors = self.errors
+ return [self.current_data1d]
+ else:
+ self.output.append("Not a valid file path.")
+ # Return a list of parsed entries that dataloader can manage
+ return self.output
+
+ def _parse_entry(self, dom, recurse=False):
+ """
+ Parse a SASEntry - new recursive method for parsing the dom of
+ the CanSAS data format. This will allow multiple data files
+ and extra nodes to be read in simultaneously.
+
+ :param dom: dom object with a namespace base of names
+ """
+
+ if not self._is_call_local() and not recurse:
+ self.reset_state()
+ self.add_data_set()
+ self.names.append("SASentry")
+ self.parent_class = "SASentry"
+ self._check_for_empty_data()
+ self.base_ns = "{0}{1}{2}".format("{", \
+ CANSAS_NS.get(self.cansas_version).get("ns"), "}")
+
+ # Go through each child in the parent element
+ for node in dom:
+ attr = node.attrib
+ name = attr.get("name", "")
+ type = attr.get("type", "")
+ # Get the element name and set the current names level
+ tagname = node.tag.replace(self.base_ns, "")
+ tagname_original = tagname
+ # Skip this iteration when loading in save state information
+ if tagname == "fitting_plug_in" or tagname == "pr_inversion" or tagname == "invariant":
+ continue
+
+ # Get where to store content
+ self.names.append(tagname_original)
+ self.ns_list = CONSTANTS.iterate_namespace(self.names)
+ # If the element is a child element, recurse
+ if len(node.getchildren()) > 0:
+ self.parent_class = tagname_original
+ if tagname == 'SASdata':
+ self._initialize_new_data_set(node)
+ if isinstance(self.current_dataset, plottable_2D):
+ x_bins = attr.get("x_bins", "")
+ y_bins = attr.get("y_bins", "")
+ if x_bins is not "" and y_bins is not "":
+ self.current_dataset.shape = (x_bins, y_bins)
+ else:
+ self.current_dataset.shape = ()
+ # Recursion step to access data within the group
+ self._parse_entry(node, True)
+ if tagname == "SASsample":
+ self.current_datainfo.sample.name = name
+ elif tagname == "beam_size":
+ self.current_datainfo.source.beam_size_name = name
+ elif tagname == "SAScollimation":
+ self.collimation.name = name
+ elif tagname == "aperture":
+ self.aperture.name = name
+ self.aperture.type = type
+ self.add_intermediate()
+ else:
+ if isinstance(self.current_dataset, plottable_2D):
+ data_point = node.text
+ unit = attr.get('unit', '')
+ else:
+ data_point, unit = self._get_node_value(node, tagname)
+
+ # If this is a dataset, store the data appropriately
+ if tagname == 'Run':
+ self.current_datainfo.run_name[data_point] = name
+ self.current_datainfo.run.append(data_point)
+ elif tagname == 'Title':
+ self.current_datainfo.title = data_point
+ elif tagname == 'SASnote':
+ self.current_datainfo.notes.append(data_point)
+
+ # I and Q - 1D data
+ elif tagname == 'I' and isinstance(self.current_dataset, plottable_1D):
+ self.current_dataset.yaxis("Intensity", unit)
+ self.current_dataset.y = np.append(self.current_dataset.y, data_point)
+ elif tagname == 'Idev' and isinstance(self.current_dataset, plottable_1D):
+ self.current_dataset.dy = np.append(self.current_dataset.dy, data_point)
+ elif tagname == 'Q':
+ self.current_dataset.xaxis("Q", unit)
+ self.current_dataset.x = np.append(self.current_dataset.x, data_point)
+ elif tagname == 'Qdev':
+ self.current_dataset.dx = np.append(self.current_dataset.dx, data_point)
+ elif tagname == 'dQw':
+ self.current_dataset.dxw = np.append(self.current_dataset.dxw, data_point)
+ elif tagname == 'dQl':
+ self.current_dataset.dxl = np.append(self.current_dataset.dxl, data_point)
+ elif tagname == 'Qmean':
+ pass
+ elif tagname == 'Shadowfactor':
+ pass
+ elif tagname == 'Sesans':
+ self.current_datainfo.isSesans = bool(data_point)
+ self.current_dataset.xaxis(attr.get('x_axis'),
+ attr.get('x_unit'))
+ self.current_dataset.yaxis(attr.get('y_axis'),
+ attr.get('y_unit'))
+ elif tagname == 'zacceptance':
+ self.current_datainfo.sample.zacceptance = (data_point, unit)
+
+ # I and Qx, Qy - 2D data
+ elif tagname == 'I' and isinstance(self.current_dataset, plottable_2D):
+ self.current_dataset.yaxis("Intensity", unit)
+ self.current_dataset.data = np.fromstring(data_point, dtype=float, sep=",")
+ elif tagname == 'Idev' and isinstance(self.current_dataset, plottable_2D):
+ self.current_dataset.err_data = np.fromstring(data_point, dtype=float, sep=",")
+ elif tagname == 'Qx':
+ self.current_dataset.xaxis("Qx", unit)
+ self.current_dataset.qx_data = np.fromstring(data_point, dtype=float, sep=",")
+ elif tagname == 'Qy':
+ self.current_dataset.yaxis("Qy", unit)
+ self.current_dataset.qy_data = np.fromstring(data_point, dtype=float, sep=",")
+ elif tagname == 'Qxdev':
+ self.current_dataset.xaxis("Qxdev", unit)
+ self.current_dataset.dqx_data = np.fromstring(data_point, dtype=float, sep=",")
+ elif tagname == 'Qydev':
+ self.current_dataset.yaxis("Qydev", unit)
+ self.current_dataset.dqy_data = np.fromstring(data_point, dtype=float, sep=",")
+ elif tagname == 'Mask':
+ inter = [item == "1" for item in data_point.split(",")]
+ self.current_dataset.mask = np.asarray(inter, dtype=bool)
+
+ # Sample Information
+ elif tagname == 'ID' and self.parent_class == 'SASsample':
+ self.current_datainfo.sample.ID = data_point
+ elif tagname == 'Title' and self.parent_class == 'SASsample':
+ self.current_datainfo.sample.name = data_point
+ elif tagname == 'thickness' and self.parent_class == 'SASsample':
+ self.current_datainfo.sample.thickness = data_point
+ self.current_datainfo.sample.thickness_unit = unit
+ elif tagname == 'transmission' and self.parent_class == 'SASsample':
+ self.current_datainfo.sample.transmission = data_point
+ elif tagname == 'temperature' and self.parent_class == 'SASsample':
+ self.current_datainfo.sample.temperature = data_point
+ self.current_datainfo.sample.temperature_unit = unit
+ elif tagname == 'details' and self.parent_class == 'SASsample':
+ self.current_datainfo.sample.details.append(data_point)
+ elif tagname == 'x' and self.parent_class == 'position':
+ self.current_datainfo.sample.position.x = data_point
+ self.current_datainfo.sample.position_unit = unit
+ elif tagname == 'y' and self.parent_class == 'position':
+ self.current_datainfo.sample.position.y = data_point
+ self.current_datainfo.sample.position_unit = unit
+ elif tagname == 'z' and self.parent_class == 'position':
+ self.current_datainfo.sample.position.z = data_point
+ self.current_datainfo.sample.position_unit = unit
+ elif tagname == 'roll' and self.parent_class == 'orientation' and 'SASsample' in self.names:
+ self.current_datainfo.sample.orientation.x = data_point
+ self.current_datainfo.sample.orientation_unit = unit
+ elif tagname == 'pitch' and self.parent_class == 'orientation' and 'SASsample' in self.names:
+ self.current_datainfo.sample.orientation.y = data_point
+ self.current_datainfo.sample.orientation_unit = unit
+ elif tagname == 'yaw' and self.parent_class == 'orientation' and 'SASsample' in self.names:
+ self.current_datainfo.sample.orientation.z = data_point
+ self.current_datainfo.sample.orientation_unit = unit
+
+ # Instrumental Information
+ elif tagname == 'name' and self.parent_class == 'SASinstrument':
+ self.current_datainfo.instrument = data_point
+ # Detector Information
+ elif tagname == 'name' and self.parent_class == 'SASdetector':
+ self.detector.name = data_point
+ elif tagname == 'SDD' and self.parent_class == 'SASdetector':
+ self.detector.distance = data_point
+ self.detector.distance_unit = unit
+ elif tagname == 'slit_length' and self.parent_class == 'SASdetector':
+ self.detector.slit_length = data_point
+ self.detector.slit_length_unit = unit
+ elif tagname == 'x' and self.parent_class == 'offset':
+ self.detector.offset.x = data_point
+ self.detector.offset_unit = unit
+ elif tagname == 'y' and self.parent_class == 'offset':
+ self.detector.offset.y = data_point
+ self.detector.offset_unit = unit
+ elif tagname == 'z' and self.parent_class == 'offset':
+ self.detector.offset.z = data_point
+ self.detector.offset_unit = unit
+ elif tagname == 'x' and self.parent_class == 'beam_center':
+ self.detector.beam_center.x = data_point
+ self.detector.beam_center_unit = unit
+ elif tagname == 'y' and self.parent_class == 'beam_center':
+ self.detector.beam_center.y = data_point
+ self.detector.beam_center_unit = unit
+ elif tagname == 'z' and self.parent_class == 'beam_center':
+ self.detector.beam_center.z = data_point
+ self.detector.beam_center_unit = unit
+ elif tagname == 'x' and self.parent_class == 'pixel_size':
+ self.detector.pixel_size.x = data_point
+ self.detector.pixel_size_unit = unit
+ elif tagname == 'y' and self.parent_class == 'pixel_size':
+ self.detector.pixel_size.y = data_point
+ self.detector.pixel_size_unit = unit
+ elif tagname == 'z' and self.parent_class == 'pixel_size':
+ self.detector.pixel_size.z = data_point
+ self.detector.pixel_size_unit = unit
+ elif tagname == 'roll' and self.parent_class == 'orientation' and 'SASdetector' in self.names:
+ self.detector.orientation.x = data_point
+ self.detector.orientation_unit = unit
+ elif tagname == 'pitch' and self.parent_class == 'orientation' and 'SASdetector' in self.names:
+ self.detector.orientation.y = data_point
+ self.detector.orientation_unit = unit
+ elif tagname == 'yaw' and self.parent_class == 'orientation' and 'SASdetector' in self.names:
+ self.detector.orientation.z = data_point
+ self.detector.orientation_unit = unit
+ # Collimation and Aperture
+ elif tagname == 'length' and self.parent_class == 'SAScollimation':
+ self.collimation.length = data_point
+ self.collimation.length_unit = unit
+ elif tagname == 'name' and self.parent_class == 'SAScollimation':
+ self.collimation.name = data_point
+ elif tagname == 'distance' and self.parent_class == 'aperture':
+ self.aperture.distance = data_point
+ self.aperture.distance_unit = unit
+ elif tagname == 'x' and self.parent_class == 'size':
+ self.aperture.size.x = data_point
+ self.collimation.size_unit = unit
+ elif tagname == 'y' and self.parent_class == 'size':
+ self.aperture.size.y = data_point
+ self.collimation.size_unit = unit
+ elif tagname == 'z' and self.parent_class == 'size':
+ self.aperture.size.z = data_point
+ self.collimation.size_unit = unit
+
+ # Process Information
+ elif tagname == 'name' and self.parent_class == 'SASprocess':
+ self.process.name = data_point
+ elif tagname == 'description' and self.parent_class == 'SASprocess':
+ self.process.description = data_point
+ elif tagname == 'date' and self.parent_class == 'SASprocess':
+ try:
+ self.process.date = datetime.datetime.fromtimestamp(data_point)
+ except:
+ self.process.date = data_point
+ elif tagname == 'SASprocessnote':
+ self.process.notes.append(data_point)
+ elif tagname == 'term' and self.parent_class == 'SASprocess':
+ unit = attr.get("unit", "")
+ dic = {}
+ dic["name"] = name
+ dic["value"] = data_point
+ dic["unit"] = unit
+ self.process.term.append(dic)
+
+ # Transmission Spectrum
+ elif tagname == 'T' and self.parent_class == 'Tdata':
+ self.transspectrum.transmission = np.append(self.transspectrum.transmission, data_point)
+ self.transspectrum.transmission_unit = unit
+ elif tagname == 'Tdev' and self.parent_class == 'Tdata':
+ self.transspectrum.transmission_deviation = np.append(self.transspectrum.transmission_deviation, data_point)
+ self.transspectrum.transmission_deviation_unit = unit
+ elif tagname == 'Lambda' and self.parent_class == 'Tdata':
+ self.transspectrum.wavelength = np.append(self.transspectrum.wavelength, data_point)
+ self.transspectrum.wavelength_unit = unit
+
+ # Source Information
+ elif tagname == 'wavelength' and (self.parent_class == 'SASsource' or self.parent_class == 'SASData'):
+ self.current_datainfo.source.wavelength = data_point
+ self.current_datainfo.source.wavelength_unit = unit
+ elif tagname == 'wavelength_min' and self.parent_class == 'SASsource':
+ self.current_datainfo.source.wavelength_min = data_point
+ self.current_datainfo.source.wavelength_min_unit = unit
+ elif tagname == 'wavelength_max' and self.parent_class == 'SASsource':
+ self.current_datainfo.source.wavelength_max = data_point
+ self.current_datainfo.source.wavelength_max_unit = unit
+ elif tagname == 'wavelength_spread' and self.parent_class == 'SASsource':
+ self.current_datainfo.source.wavelength_spread = data_point
+ self.current_datainfo.source.wavelength_spread_unit = unit
+ elif tagname == 'x' and self.parent_class == 'beam_size':
+ self.current_datainfo.source.beam_size.x = data_point
+ self.current_datainfo.source.beam_size_unit = unit
+ elif tagname == 'y' and self.parent_class == 'beam_size':
+ self.current_datainfo.source.beam_size.y = data_point
+ self.current_datainfo.source.beam_size_unit = unit
+ elif tagname == 'z' and self.parent_class == 'pixel_size':
+ self.current_datainfo.source.data_point.z = data_point
+ self.current_datainfo.source.beam_size_unit = unit
+ elif tagname == 'radiation' and self.parent_class == 'SASsource':
+ self.current_datainfo.source.radiation = data_point
+ elif tagname == 'beam_shape' and self.parent_class == 'SASsource':
+ self.current_datainfo.source.beam_shape = data_point
+
+ # Everything else goes in meta_data
+ else:
+ new_key = self._create_unique_key(self.current_datainfo.meta_data, tagname)
+ self.current_datainfo.meta_data[new_key] = data_point
+
+ self.names.remove(tagname_original)
+ length = 0
+ if len(self.names) > 1:
+ length = len(self.names) - 1
+ self.parent_class = self.names[length]
+ if not self._is_call_local() and not recurse:
+ self.frm = ""
+ self.add_data_set()
+ empty = None
+ return self.output[0], empty
+
+
+ def _is_call_local(self):
+ """
+
+ """
+ if self.frm == "":
+ inter = inspect.stack()
+ self.frm = inter[2]
+ mod_name = self.frm[1].replace("\\", "/").replace(".pyc", "")
+ mod_name = mod_name.replace(".py", "")
+ mod = mod_name.split("sas/")
+ mod_name = mod[1]
+ if mod_name != "sascalc/dataloader/readers/cansas_reader":
+ return False
+ return True
+
+ def is_cansas(self, ext="xml"):
+ """
+ Checks to see if the xml file is a CanSAS file
+
+ :param ext: The file extension of the data file
+ """
+ if self.validate_xml():
+ name = "{http://www.w3.org/2001/XMLSchema-instance}schemaLocation"
+ value = self.xmlroot.get(name)
+ if CANSAS_NS.get(self.cansas_version).get("ns") == \
+ value.rsplit(" ")[0]:
+ return True
+ if ext == "svs":
+ return True
+ raise RuntimeError
+
+ def load_file_and_schema(self, xml_file, schema_path=""):
+ """
+ Loads the file and associates a schema, if a schema is passed in or if one already exists
+
+ :param xml_file: The xml file path sent to Reader.read
+ :param schema_path: The path to a schema associated with the xml_file, or find one based on the file
+ """
+ base_name = xml_reader.__file__
+ base_name = base_name.replace("\\", "/")
+ base = base_name.split("/sas/")[0]
+
+ # Load in xml file and get the cansas version from the header
+ self.set_xml_file(xml_file)
+ self.cansas_version = self.xmlroot.get("version", "1.0")
+
+ # Generic values for the cansas file based on the version
+ self.cansas_defaults = CANSAS_NS.get(self.cansas_version, "1.0")
+ if schema_path == "":
+ schema_path = "{0}/sas/sascalc/dataloader/readers/schema/{1}".format \
+ (base, self.cansas_defaults.get("schema")).replace("\\", "/")
+
+ # Link a schema to the XML file.
+ self.set_schema(schema_path)
+
+ def add_data_set(self):
+ """
+ Adds the current_dataset to the list of outputs after preforming final processing on the data and then calls a
+ private method to generate a new data set.
+
+ :param key: NeXus group name for current tree level
+ """
+
+ if self.current_datainfo and self.current_dataset:
+ self._final_cleanup()
+ self.data = []
+ self.current_datainfo = DataInfo()
+
+ def _initialize_new_data_set(self, node=None):
+ """
+ A private class method to generate a new 1D data object.
+ Outside methods should call add_data_set() to be sure any existing data is stored properly.
+
+ :param node: XML node to determine if 1D or 2D data
+ """
+ x = np.array(0)
+ y = np.array(0)
+ for child in node:
+ if child.tag.replace(self.base_ns, "") == "Idata":
+ for i_child in child:
+ if i_child.tag.replace(self.base_ns, "") == "Qx":
+ self.current_dataset = plottable_2D()
+ return
+ self.current_dataset = plottable_1D(x, y)
+
+ def add_intermediate(self):
+ """
+ This method stores any intermediate objects within the final data set after fully reading the set.
+
+ :param parent: The NXclass name for the h5py Group object that just finished being processed
+ """
+
+ if self.parent_class == 'SASprocess':
+ self.current_datainfo.process.append(self.process)
+ self.process = Process()
+ elif self.parent_class == 'SASdetector':
+ self.current_datainfo.detector.append(self.detector)
+ self.detector = Detector()
+ elif self.parent_class == 'SAStransmission_spectrum':
+ self.current_datainfo.trans_spectrum.append(self.transspectrum)
+ self.transspectrum = TransmissionSpectrum()
+ elif self.parent_class == 'SAScollimation':
+ self.current_datainfo.collimation.append(self.collimation)
+ self.collimation = Collimation()
+ elif self.parent_class == 'aperture':
+ self.collimation.aperture.append(self.aperture)
+ self.aperture = Aperture()
+ elif self.parent_class == 'SASdata':
+ self._check_for_empty_resolution()
+ self.data.append(self.current_dataset)
+
+ def _final_cleanup(self):
+ """
+ Final cleanup of the Data1D object to be sure it has all the
+ appropriate information needed for perspectives
+ """
+
+ # Append errors to dataset and reset class errors
+ self.current_datainfo.errors = set()
+ for error in self.errors:
+ self.current_datainfo.errors.add(error)
+ self.errors.clear()
+
+ # Combine all plottables with datainfo and append each to output
+ # Type cast data arrays to float64 and find min/max as appropriate
+ for dataset in self.data:
+ if isinstance(dataset, plottable_1D):
+ if dataset.x is not None:
+ dataset.x = np.delete(dataset.x, [0])
+ dataset.x = dataset.x.astype(np.float64)
+ dataset.xmin = np.min(dataset.x)
+ dataset.xmax = np.max(dataset.x)
+ if dataset.y is not None:
+ dataset.y = np.delete(dataset.y, [0])
+ dataset.y = dataset.y.astype(np.float64)
+ dataset.ymin = np.min(dataset.y)
+ dataset.ymax = np.max(dataset.y)
+ if dataset.dx is not None:
+ dataset.dx = np.delete(dataset.dx, [0])
+ dataset.dx = dataset.dx.astype(np.float64)
+ if dataset.dxl is not None:
+ dataset.dxl = np.delete(dataset.dxl, [0])
+ dataset.dxl = dataset.dxl.astype(np.float64)
+ if dataset.dxw is not None:
+ dataset.dxw = np.delete(dataset.dxw, [0])
+ dataset.dxw = dataset.dxw.astype(np.float64)
+ if dataset.dy is not None:
+ dataset.dy = np.delete(dataset.dy, [0])
+ dataset.dy = dataset.dy.astype(np.float64)
+ np.trim_zeros(dataset.x)
+ np.trim_zeros(dataset.y)
+ np.trim_zeros(dataset.dy)
+ elif isinstance(dataset, plottable_2D):
+ dataset.data = dataset.data.astype(np.float64)
+ dataset.qx_data = dataset.qx_data.astype(np.float64)
+ dataset.xmin = np.min(dataset.qx_data)
+ dataset.xmax = np.max(dataset.qx_data)
+ dataset.qy_data = dataset.qy_data.astype(np.float64)
+ dataset.ymin = np.min(dataset.qy_data)
+ dataset.ymax = np.max(dataset.qy_data)
+ dataset.q_data = np.sqrt(dataset.qx_data * dataset.qx_data
+ + dataset.qy_data * dataset.qy_data)
+ if dataset.err_data is not None:
+ dataset.err_data = dataset.err_data.astype(np.float64)
+ if dataset.dqx_data is not None:
+ dataset.dqx_data = dataset.dqx_data.astype(np.float64)
+ if dataset.dqy_data is not None:
+ dataset.dqy_data = dataset.dqy_data.astype(np.float64)
+ if dataset.mask is not None:
+ dataset.mask = dataset.mask.astype(dtype=bool)
+
+ if len(dataset.shape) == 2:
+ n_rows, n_cols = dataset.shape
+ dataset.y_bins = dataset.qy_data[0::int(n_cols)]
+ dataset.x_bins = dataset.qx_data[:int(n_cols)]
+ dataset.data = dataset.data.flatten()
+ else:
+ dataset.y_bins = []
+ dataset.x_bins = []
+ dataset.data = dataset.data.flatten()
+
+ final_dataset = combine_data(dataset, self.current_datainfo)
+ self.output.append(final_dataset)
+
+ def _create_unique_key(self, dictionary, name, numb=0):
+ """
+ Create a unique key value for any dictionary to prevent overwriting
+ Recurse until a unique key value is found.
+
+ :param dictionary: A dictionary with any number of entries
+ :param name: The index of the item to be added to dictionary
+ :param numb: The number to be appended to the name, starts at 0
+ """
+ if dictionary.get(name) is not None:
+ numb += 1
+ name = name.split("_")[0]
+ name += "_{0}".format(numb)
+ name = self._create_unique_key(dictionary, name, numb)
+ return name
+
+ def _get_node_value(self, node, tagname):
+ """
+ Get the value of a node and any applicable units
+
+ :param node: The XML node to get the value of
+ :param tagname: The tagname of the node
+ """
+ #Get the text from the node and convert all whitespace to spaces
+ units = ''
+ node_value = node.text
+ if node_value is not None:
+ node_value = ' '.join(node_value.split())
+ else:
+ node_value = ""
+
+ # If the value is a float, compile with units.
+ if self.ns_list.ns_datatype == "float":
+ # If an empty value is given, set as zero.
+ if node_value is None or node_value.isspace() \
+ or node_value.lower() == "nan":
+ node_value = "0.0"
+ #Convert the value to the base units
+ node_value, units = self._unit_conversion(node, tagname, node_value)
+
+ # If the value is a timestamp, convert to a datetime object
+ elif self.ns_list.ns_datatype == "timestamp":
+ if node_value is None or node_value.isspace():
+ pass
+ else:
+ try:
+ node_value = \
+ datetime.datetime.fromtimestamp(node_value)
+ except ValueError:
+ node_value = None
+ return node_value, units
+
+ def _unit_conversion(self, node, tagname, node_value):
+ """
+ A unit converter method used to convert the data included in the file
+ to the default units listed in data_info
+
+ :param node: XML node
+ :param tagname: name of the node
+ :param node_value: The value of the current dom node
+ """
+ attr = node.attrib
+ value_unit = ''
+ err_msg = None
+ default_unit = None
+ if not isinstance(node_value, float):
+ node_value = float(node_value)
+ if 'unit' in attr and attr.get('unit') is not None:
+ try:
+ local_unit = attr['unit']
+ unitname = self.ns_list.current_level.get("unit", "")
+ if "SASdetector" in self.names:
+ save_in = "detector"
+ elif "aperture" in self.names:
+ save_in = "aperture"
+ elif "SAScollimation" in self.names:
+ save_in = "collimation"
+ elif "SAStransmission_spectrum" in self.names:
+ save_in = "transspectrum"
+ elif "SASdata" in self.names:
+ x = np.zeros(1)
+ y = np.zeros(1)
+ self.current_data1d = Data1D(x, y)
+ save_in = "current_data1d"
+ elif "SASsource" in self.names:
+ save_in = "current_datainfo.source"
+ elif "SASsample" in self.names:
+ save_in = "current_datainfo.sample"
+ elif "SASprocess" in self.names:
+ save_in = "process"
+ else:
+ save_in = "current_datainfo"
+ exec "default_unit = self.{0}.{1}".format(save_in, unitname)
+ if local_unit and default_unit and local_unit.lower() != default_unit.lower() \
+ and local_unit.lower() != "none":
+ if HAS_CONVERTER == True:
+ # Check local units - bad units raise KeyError
+ data_conv_q = Converter(local_unit)
+ value_unit = default_unit
+ node_value = data_conv_q(node_value, units=default_unit)
+ else:
+ value_unit = local_unit
+ err_msg = "Unit converter is not available.\n"
+ else:
+ value_unit = local_unit
+ except KeyError:
+ # Do not throw an error for loading Sesans data in cansas xml
+ # This is a temporary fix.
+ if local_unit != "A" and local_unit != 'pol':
+ err_msg = "CanSAS reader: unexpected "
+ err_msg += "\"{0}\" unit [{1}]; "
+ err_msg = err_msg.format(tagname, local_unit)
+ err_msg += "expecting [{0}]".format(default_unit)
+ value_unit = local_unit
+ except:
+ err_msg = "CanSAS reader: unknown error converting "
+ err_msg += "\"{0}\" unit [{1}]"
+ err_msg = err_msg.format(tagname, local_unit)
+ value_unit = local_unit
+ elif 'unit' in attr:
+ value_unit = attr['unit']
+ if err_msg:
+ self.errors.add(err_msg)
+ return node_value, value_unit
+
+ def _check_for_empty_data(self):
+ """
+ Creates an empty data set if no data is passed to the reader
+
+ :param data1d: presumably a Data1D object
+ """
+ if self.current_dataset == None:
+ x_vals = np.empty(0)
+ y_vals = np.empty(0)
+ dx_vals = np.empty(0)
+ dy_vals = np.empty(0)
+ dxl = np.empty(0)
+ dxw = np.empty(0)
+ self.current_dataset = plottable_1D(x_vals, y_vals, dx_vals, dy_vals)
+ self.current_dataset.dxl = dxl
+ self.current_dataset.dxw = dxw
+
+ def _check_for_empty_resolution(self):
+ """
+ A method to check all resolution data sets are the same size as I and Q
+ """
+ if isinstance(self.current_dataset, plottable_1D):
+ dql_exists = False
+ dqw_exists = False
+ dq_exists = False
+ di_exists = False
+ if self.current_dataset.dxl is not None:
+ dql_exists = True
+ if self.current_dataset.dxw is not None:
+ dqw_exists = True
+ if self.current_dataset.dx is not None:
+ dq_exists = True
+ if self.current_dataset.dy is not None:
+ di_exists = True
+ if dqw_exists and not dql_exists:
+ array_size = self.current_dataset.dxw.size - 1
+ self.current_dataset.dxl = np.append(self.current_dataset.dxl,
+ np.zeros([array_size]))
+ elif dql_exists and not dqw_exists:
+ array_size = self.current_dataset.dxl.size - 1
+ self.current_dataset.dxw = np.append(self.current_dataset.dxw,
+ np.zeros([array_size]))
+ elif not dql_exists and not dqw_exists and not dq_exists:
+ array_size = self.current_dataset.x.size - 1
+ self.current_dataset.dx = np.append(self.current_dataset.dx,
+ np.zeros([array_size]))
+ if not di_exists:
+ array_size = self.current_dataset.y.size - 1
+ self.current_dataset.dy = np.append(self.current_dataset.dy,
+ np.zeros([array_size]))
+ elif isinstance(self.current_dataset, plottable_2D):
+ dqx_exists = False
+ dqy_exists = False
+ di_exists = False
+ mask_exists = False
+ if self.current_dataset.dqx_data is not None:
+ dqx_exists = True
+ if self.current_dataset.dqy_data is not None:
+ dqy_exists = True
+ if self.current_dataset.err_data is not None:
+ di_exists = True
+ if self.current_dataset.mask is not None:
+ mask_exists = True
+ if not dqy_exists:
+ array_size = self.current_dataset.qy_data.size - 1
+ self.current_dataset.dqy_data = np.append(
+ self.current_dataset.dqy_data, np.zeros([array_size]))
+ if not dqx_exists:
+ array_size = self.current_dataset.qx_data.size - 1
+ self.current_dataset.dqx_data = np.append(
+ self.current_dataset.dqx_data, np.zeros([array_size]))
+ if not di_exists:
+ array_size = self.current_dataset.data.size - 1
+ self.current_dataset.err_data = np.append(
+ self.current_dataset.err_data, np.zeros([array_size]))
+ if not mask_exists:
+ array_size = self.current_dataset.data.size - 1
+ self.current_dataset.mask = np.append(
+ self.current_dataset.mask,
+ np.ones([array_size] ,dtype=bool))
+
+ ####### All methods below are for writing CanSAS XML files #######
+
+ def write(self, filename, datainfo):
+ """
+ Write the content of a Data1D as a CanSAS XML file
+
+ :param filename: name of the file to write
+ :param datainfo: Data1D object
+ """
+ # Create XML document
+ doc, _ = self._to_xml_doc(datainfo)
+ # Write the file
+ file_ref = open(filename, 'w')
+ if self.encoding == None:
+ self.encoding = "UTF-8"
+ doc.write(file_ref, encoding=self.encoding,
+ pretty_print=True, xml_declaration=True)
+ file_ref.close()
+
+ def _to_xml_doc(self, datainfo):
+ """
+ Create an XML document to contain the content of a Data1D
+
+ :param datainfo: Data1D object
+ """
+ is_2d = False
+ if issubclass(datainfo.__class__, Data2D):
+ is_2d = True
+
+ # Get PIs and create root element
+ pi_string = self._get_pi_string()
+ # Define namespaces and create SASroot object
+ main_node = self._create_main_node()
+ # Create ElementTree, append SASroot and apply processing instructions
+ base_string = pi_string + self.to_string(main_node)
+ base_element = self.create_element_from_string(base_string)
+ doc = self.create_tree(base_element)
+ # Create SASentry Element
+ entry_node = self.create_element("SASentry")
+ root = doc.getroot()
+ root.append(entry_node)
+
+ # Add Title to SASentry
+ self.write_node(entry_node, "Title", datainfo.title)
+ # Add Run to SASentry
+ self._write_run_names(datainfo, entry_node)
+ # Add Data info to SASEntry
+ if is_2d:
+ self._write_data_2d(datainfo, entry_node)
+ else:
+ self._write_data(datainfo, entry_node)
+ # Transmission Spectrum Info
+ # TODO: fix the writer to linearize all data, including T_spectrum
+ # self._write_trans_spectrum(datainfo, entry_node)
+ # Sample info
+ self._write_sample_info(datainfo, entry_node)
+ # Instrument info
+ instr = self._write_instrument(datainfo, entry_node)
+ # Source
+ self._write_source(datainfo, instr)
+ # Collimation
+ self._write_collimation(datainfo, instr)
+ # Detectors
+ self._write_detectors(datainfo, instr)
+ # Processes info
+ self._write_process_notes(datainfo, entry_node)
+ # Note info
+ self._write_notes(datainfo, entry_node)
+ # Return the document, and the SASentry node associated with
+ # the data we just wrote
+ # If the calling function was not the cansas reader, return a minidom
+ # object rather than an lxml object.
+ self.frm = inspect.stack()[1]
+ doc, entry_node = self._check_origin(entry_node, doc)
+ return doc, entry_node
+
+ def write_node(self, parent, name, value, attr=None):
+ """
+ :param doc: document DOM
+ :param parent: parent node
+ :param name: tag of the element
+ :param value: value of the child text node
+ :param attr: attribute dictionary
+
+ :return: True if something was appended, otherwise False
+ """
+ if value is not None:
+ parent = self.ebuilder(parent, name, value, attr)
+ return True
+ return False
+
+ def _get_pi_string(self):
+ """
+ Creates the processing instructions header for writing to file
+ """
+ pis = self.return_processing_instructions()
+ if len(pis) > 0:
+ pi_tree = self.create_tree(pis[0])
+ i = 1
+ for i in range(1, len(pis) - 1):
+ pi_tree = self.append(pis[i], pi_tree)
+ pi_string = self.to_string(pi_tree)
+ else:
+ pi_string = ""
+ return pi_string
+
+ def _create_main_node(self):
+ """
+ Creates the primary xml header used when writing to file
+ """
+ xsi = "http://www.w3.org/2001/XMLSchema-instance"
+ version = self.cansas_version
+ n_s = CANSAS_NS.get(version).get("ns")
+ if version == "1.1":
+ url = "http://www.cansas.org/formats/1.1/"
+ else:
+ url = "http://svn.smallangles.net/svn/canSAS/1dwg/trunk/"
+ schema_location = "{0} {1}cansas1d.xsd".format(n_s, url)
+ attrib = {"{" + xsi + "}schemaLocation" : schema_location,
+ "version" : version}
+ nsmap = {'xsi' : xsi, None: n_s}
+
+ main_node = self.create_element("{" + n_s + "}SASroot",
+ attrib=attrib, nsmap=nsmap)
+ return main_node
+
+ def _write_run_names(self, datainfo, entry_node):
+ """
+ Writes the run names to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ if datainfo.run == None or datainfo.run == []:
+ datainfo.run.append(RUN_NAME_DEFAULT)
+ datainfo.run_name[RUN_NAME_DEFAULT] = RUN_NAME_DEFAULT
+ for item in datainfo.run:
+ runname = {}
+ if item in datainfo.run_name and \
+ len(str(datainfo.run_name[item])) > 1:
+ runname = {'name': datainfo.run_name[item]}
+ self.write_node(entry_node, "Run", item, runname)
+
+ def _write_data(self, datainfo, entry_node):
+ """
+ Writes 1D I and Q data to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ node = self.create_element("SASdata")
+ self.append(node, entry_node)
+
+ for i in range(len(datainfo.x)):
+ point = self.create_element("Idata")
+ node.append(point)
+ self.write_node(point, "Q", datainfo.x[i],
+ {'unit': datainfo.x_unit})
+ if len(datainfo.y) >= i:
+ self.write_node(point, "I", datainfo.y[i],
+ {'unit': datainfo.y_unit})
+ if datainfo.dy is not None and len(datainfo.dy) > i:
+ self.write_node(point, "Idev", datainfo.dy[i],
+ {'unit': datainfo.y_unit})
+ if datainfo.dx is not None and len(datainfo.dx) > i:
+ self.write_node(point, "Qdev", datainfo.dx[i],
+ {'unit': datainfo.x_unit})
+ if datainfo.dxw is not None and len(datainfo.dxw) > i:
+ self.write_node(point, "dQw", datainfo.dxw[i],
+ {'unit': datainfo.x_unit})
+ if datainfo.dxl is not None and len(datainfo.dxl) > i:
+ self.write_node(point, "dQl", datainfo.dxl[i],
+ {'unit': datainfo.x_unit})
+ if datainfo.isSesans:
+ sesans_attrib = {'x_axis': datainfo._xaxis,
+ 'y_axis': datainfo._yaxis,
+ 'x_unit': datainfo.x_unit,
+ 'y_unit': datainfo.y_unit}
+ sesans = self.create_element("Sesans", attrib=sesans_attrib)
+ sesans.text = str(datainfo.isSesans)
+ entry_node.append(sesans)
+ self.write_node(entry_node, "zacceptance", datainfo.sample.zacceptance[0],
+ {'unit': datainfo.sample.zacceptance[1]})
+
+
+ def _write_data_2d(self, datainfo, entry_node):
+ """
+ Writes 2D data to the XML file
+
+ :param datainfo: The Data2D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ attr = {}
+ if datainfo.data.shape:
+ attr["x_bins"] = str(len(datainfo.x_bins))
+ attr["y_bins"] = str(len(datainfo.y_bins))
+ node = self.create_element("SASdata", attr)
+ self.append(node, entry_node)
+
+ point = self.create_element("Idata")
+ node.append(point)
+ qx = ','.join([str(datainfo.qx_data[i]) for i in xrange(len(datainfo.qx_data))])
+ qy = ','.join([str(datainfo.qy_data[i]) for i in xrange(len(datainfo.qy_data))])
+ intensity = ','.join([str(datainfo.data[i]) for i in xrange(len(datainfo.data))])
+
+ self.write_node(point, "Qx", qx,
+ {'unit': datainfo._xunit})
+ self.write_node(point, "Qy", qy,
+ {'unit': datainfo._yunit})
+ self.write_node(point, "I", intensity,
+ {'unit': datainfo._zunit})
+ if datainfo.err_data is not None:
+ err = ','.join([str(datainfo.err_data[i]) for i in
+ xrange(len(datainfo.err_data))])
+ self.write_node(point, "Idev", err,
+ {'unit': datainfo._zunit})
+ if datainfo.dqy_data is not None:
+ dqy = ','.join([str(datainfo.dqy_data[i]) for i in
+ xrange(len(datainfo.dqy_data))])
+ self.write_node(point, "Qydev", dqy,
+ {'unit': datainfo._yunit})
+ if datainfo.dqx_data is not None:
+ dqx = ','.join([str(datainfo.dqx_data[i]) for i in
+ xrange(len(datainfo.dqx_data))])
+ self.write_node(point, "Qxdev", dqx,
+ {'unit': datainfo._xunit})
+ if datainfo.mask is not None:
+ mask = ','.join(
+ ["1" if datainfo.mask[i] else "0"
+ for i in xrange(len(datainfo.mask))])
+ self.write_node(point, "Mask", mask)
+
+ def _write_trans_spectrum(self, datainfo, entry_node):
+ """
+ Writes the transmission spectrum data to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ for i in range(len(datainfo.trans_spectrum)):
+ spectrum = datainfo.trans_spectrum[i]
+ node = self.create_element("SAStransmission_spectrum",
+ {"name" : spectrum.name})
+ self.append(node, entry_node)
+ if isinstance(spectrum.timestamp, datetime.datetime):
+ node.setAttribute("timestamp", spectrum.timestamp)
+ for i in range(len(spectrum.wavelength)):
+ point = self.create_element("Tdata")
+ node.append(point)
+ self.write_node(point, "Lambda", spectrum.wavelength[i],
+ {'unit': spectrum.wavelength_unit})
+ self.write_node(point, "T", spectrum.transmission[i],
+ {'unit': spectrum.transmission_unit})
+ if spectrum.transmission_deviation != None \
+ and len(spectrum.transmission_deviation) >= i:
+ self.write_node(point, "Tdev",
+ spectrum.transmission_deviation[i],
+ {'unit':
+ spectrum.transmission_deviation_unit})
+
+ def _write_sample_info(self, datainfo, entry_node):
+ """
+ Writes the sample information to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ sample = self.create_element("SASsample")
+ if datainfo.sample.name is not None:
+ self.write_attribute(sample, "name",
+ str(datainfo.sample.name))
+ self.append(sample, entry_node)
+ self.write_node(sample, "ID", str(datainfo.sample.ID))
+ self.write_node(sample, "thickness", datainfo.sample.thickness,
+ {"unit": datainfo.sample.thickness_unit})
+ self.write_node(sample, "transmission", datainfo.sample.transmission)
+ self.write_node(sample, "temperature", datainfo.sample.temperature,
+ {"unit": datainfo.sample.temperature_unit})
+
+ pos = self.create_element("position")
+ written = self.write_node(pos,
+ "x",
+ datainfo.sample.position.x,
+ {"unit": datainfo.sample.position_unit})
+ written = written | self.write_node( \
+ pos, "y", datainfo.sample.position.y,
+ {"unit": datainfo.sample.position_unit})
+ written = written | self.write_node( \
+ pos, "z", datainfo.sample.position.z,
+ {"unit": datainfo.sample.position_unit})
+ if written == True:
+ self.append(pos, sample)
+
+ ori = self.create_element("orientation")
+ written = self.write_node(ori, "roll",
+ datainfo.sample.orientation.x,
+ {"unit": datainfo.sample.orientation_unit})
+ written = written | self.write_node( \
+ ori, "pitch", datainfo.sample.orientation.y,
+ {"unit": datainfo.sample.orientation_unit})
+ written = written | self.write_node( \
+ ori, "yaw", datainfo.sample.orientation.z,
+ {"unit": datainfo.sample.orientation_unit})
+ if written == True:
+ self.append(ori, sample)
+
+ for item in datainfo.sample.details:
+ self.write_node(sample, "details", item)
+
+ def _write_instrument(self, datainfo, entry_node):
+ """
+ Writes the instrumental information to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ instr = self.create_element("SASinstrument")
+ self.append(instr, entry_node)
+ self.write_node(instr, "name", datainfo.instrument)
+ return instr
+
+ def _write_source(self, datainfo, instr):
+ """
+ Writes the source information to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param instr: instrument node to be appended to
+ """
+ source = self.create_element("SASsource")
+ if datainfo.source.name is not None:
+ self.write_attribute(source, "name",
+ str(datainfo.source.name))
+ self.append(source, instr)
+ if datainfo.source.radiation == None or datainfo.source.radiation == '':
+ datainfo.source.radiation = "neutron"
+ self.write_node(source, "radiation", datainfo.source.radiation)
+
+ size = self.create_element("beam_size")
+ if datainfo.source.beam_size_name is not None:
+ self.write_attribute(size, "name",
+ str(datainfo.source.beam_size_name))
+ written = self.write_node( \
+ size, "x", datainfo.source.beam_size.x,
+ {"unit": datainfo.source.beam_size_unit})
+ written = written | self.write_node( \
+ size, "y", datainfo.source.beam_size.y,
+ {"unit": datainfo.source.beam_size_unit})
+ written = written | self.write_node( \
+ size, "z", datainfo.source.beam_size.z,
+ {"unit": datainfo.source.beam_size_unit})
+ if written == True:
+ self.append(size, source)
+
+ self.write_node(source, "beam_shape", datainfo.source.beam_shape)
+ self.write_node(source, "wavelength",
+ datainfo.source.wavelength,
+ {"unit": datainfo.source.wavelength_unit})
+ self.write_node(source, "wavelength_min",
+ datainfo.source.wavelength_min,
+ {"unit": datainfo.source.wavelength_min_unit})
+ self.write_node(source, "wavelength_max",
+ datainfo.source.wavelength_max,
+ {"unit": datainfo.source.wavelength_max_unit})
+ self.write_node(source, "wavelength_spread",
+ datainfo.source.wavelength_spread,
+ {"unit": datainfo.source.wavelength_spread_unit})
+
+ def _write_collimation(self, datainfo, instr):
+ """
+ Writes the collimation information to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param instr: lxml node ElementTree object to be appended to
+ """
+ if datainfo.collimation == [] or datainfo.collimation == None:
+ coll = Collimation()
+ datainfo.collimation.append(coll)
+ for item in datainfo.collimation:
+ coll = self.create_element("SAScollimation")
+ if item.name is not None:
+ self.write_attribute(coll, "name", str(item.name))
+ self.append(coll, instr)
+
+ self.write_node(coll, "length", item.length,
+ {"unit": item.length_unit})
+
+ for aperture in item.aperture:
+ apert = self.create_element("aperture")
+ if aperture.name is not None:
+ self.write_attribute(apert, "name", str(aperture.name))
+ if aperture.type is not None:
+ self.write_attribute(apert, "type", str(aperture.type))
+ self.append(apert, coll)
+
+ size = self.create_element("size")
+ if aperture.size_name is not None:
+ self.write_attribute(size, "name",
+ str(aperture.size_name))
+ written = self.write_node(size, "x", aperture.size.x,
+ {"unit": aperture.size_unit})
+ written = written | self.write_node( \
+ size, "y", aperture.size.y,
+ {"unit": aperture.size_unit})
+ written = written | self.write_node( \
+ size, "z", aperture.size.z,
+ {"unit": aperture.size_unit})
+ if written == True:
+ self.append(size, apert)
+
+ self.write_node(apert, "distance", aperture.distance,
+ {"unit": aperture.distance_unit})
+
+ def _write_detectors(self, datainfo, instr):
+ """
+ Writes the detector information to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param inst: lxml instrument node to be appended to
+ """
+ if datainfo.detector == None or datainfo.detector == []:
+ det = Detector()
+ det.name = ""
+ datainfo.detector.append(det)
+
+ for item in datainfo.detector:
+ det = self.create_element("SASdetector")
+ written = self.write_node(det, "name", item.name)
+ written = written | self.write_node(det, "SDD", item.distance,
+ {"unit": item.distance_unit})
+ if written == True:
+ self.append(det, instr)
+
+ off = self.create_element("offset")
+ written = self.write_node(off, "x", item.offset.x,
+ {"unit": item.offset_unit})
+ written = written | self.write_node(off, "y", item.offset.y,
+ {"unit": item.offset_unit})
+ written = written | self.write_node(off, "z", item.offset.z,
+ {"unit": item.offset_unit})
+ if written == True:
+ self.append(off, det)
+
+ ori = self.create_element("orientation")
+ written = self.write_node(ori, "roll", item.orientation.x,
+ {"unit": item.orientation_unit})
+ written = written | self.write_node(ori, "pitch",
+ item.orientation.y,
+ {"unit": item.orientation_unit})
+ written = written | self.write_node(ori, "yaw",
+ item.orientation.z,
+ {"unit": item.orientation_unit})
+ if written == True:
+ self.append(ori, det)
+
+ center = self.create_element("beam_center")
+ written = self.write_node(center, "x", item.beam_center.x,
+ {"unit": item.beam_center_unit})
+ written = written | self.write_node(center, "y",
+ item.beam_center.y,
+ {"unit": item.beam_center_unit})
+ written = written | self.write_node(center, "z",
+ item.beam_center.z,
+ {"unit": item.beam_center_unit})
+ if written == True:
+ self.append(center, det)
+
+ pix = self.create_element("pixel_size")
+ written = self.write_node(pix, "x", item.pixel_size.x,
+ {"unit": item.pixel_size_unit})
+ written = written | self.write_node(pix, "y", item.pixel_size.y,
+ {"unit": item.pixel_size_unit})
+ written = written | self.write_node(pix, "z", item.pixel_size.z,
+ {"unit": item.pixel_size_unit})
+ if written == True:
+ self.append(pix, det)
+ self.write_node(det, "slit_length", item.slit_length,
+ {"unit": item.slit_length_unit})
+
+
+ def _write_process_notes(self, datainfo, entry_node):
+ """
+ Writes the process notes to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+
+ """
+ for item in datainfo.process:
+ node = self.create_element("SASprocess")
+ self.append(node, entry_node)
+ self.write_node(node, "name", item.name)
+ self.write_node(node, "date", item.date)
+ self.write_node(node, "description", item.description)
+ for term in item.term:
+ if isinstance(term, list):
+ value = term['value']
+ del term['value']
+ elif isinstance(term, dict):
+ value = term.get("value")
+ del term['value']
+ else:
+ value = term
+ self.write_node(node, "term", value, term)
+ for note in item.notes:
+ self.write_node(node, "SASprocessnote", note)
+ if len(item.notes) == 0:
+ self.write_node(node, "SASprocessnote", "")
+
+ def _write_notes(self, datainfo, entry_node):
+ """
+ Writes the notes to the XML file and creates an empty note if none
+ exist
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+
+ """
+ if len(datainfo.notes) == 0:
+ node = self.create_element("SASnote")
+ self.append(node, entry_node)
+ else:
+ for item in datainfo.notes:
+ node = self.create_element("SASnote")
+ self.write_text(node, item)
+ self.append(node, entry_node)
+
+ def _check_origin(self, entry_node, doc):
+ """
+ Return the document, and the SASentry node associated with
+ the data we just wrote.
+ If the calling function was not the cansas reader, return a minidom
+ object rather than an lxml object.
+
+ :param entry_node: lxml node ElementTree object to be appended to
+ :param doc: entire xml tree
+ """
+ if not self.frm:
+ self.frm = inspect.stack()[1]
+ mod_name = self.frm[1].replace("\\", "/").replace(".pyc", "")
+ mod_name = mod_name.replace(".py", "")
+ mod = mod_name.split("sas/")
+ mod_name = mod[1]
+ if mod_name != "sascalc/dataloader/readers/cansas_reader":
+ string = self.to_string(doc, pretty_print=False)
+ doc = parseString(string)
+ node_name = entry_node.tag
+ node_list = doc.getElementsByTagName(node_name)
+ entry_node = node_list.item(0)
+ return doc, entry_node
+
+ # DO NOT REMOVE - used in saving and loading panel states.
+ def _store_float(self, location, node, variable, storage, optional=True):
+ """
+ Get the content of a xpath location and store
+ the result. Check that the units are compatible
+ with the destination. The value is expected to
+ be a float.
+
+ The xpath location might or might not exist.
+ If it does not exist, nothing is done
+
+ :param location: xpath location to fetch
+ :param node: node to read the data from
+ :param variable: name of the data member to store it in [string]
+ :param storage: data object that has the 'variable' data member
+ :param optional: if True, no exception will be raised
+ if unit conversion can't be done
+
+ :raise ValueError: raised when the units are not recognized
+ """
+ entry = get_content(location, node)
+ try:
+ value = float(entry.text)
+ except:
+ value = None
+
+ if value is not None:
+ # If the entry has units, check to see that they are
+ # compatible with what we currently have in the data object
+ units = entry.get('unit')
+ if units is not None:
+ toks = variable.split('.')
+ local_unit = None
+ exec "local_unit = storage.%s_unit" % toks[0]
+ if local_unit != None and units.lower() != local_unit.lower():
+ if HAS_CONVERTER == True:
+ try:
+ conv = Converter(units)
+ exec "storage.%s = %g" % \
+ (variable, conv(value, units=local_unit))
+ except:
+ _, exc_value, _ = sys.exc_info()
+ err_mess = "CanSAS reader: could not convert"
+ err_mess += " %s unit [%s]; expecting [%s]\n %s" \
+ % (variable, units, local_unit, exc_value)
+ self.errors.add(err_mess)
+ if optional:
+ logging.info(err_mess)
+ else:
+ raise ValueError, err_mess
+ else:
+ err_mess = "CanSAS reader: unrecognized %s unit [%s];"\
+ % (variable, units)
+ err_mess += " expecting [%s]" % local_unit
+ self.errors.add(err_mess)
+ if optional:
+ logging.info(err_mess)
+ else:
+ raise ValueError, err_mess
+ else:
+ exec "storage.%s = value" % variable
+ else:
+ exec "storage.%s = value" % variable
+
+ # DO NOT REMOVE - used in saving and loading panel states.
+ def _store_content(self, location, node, variable, storage):
+ """
+ Get the content of a xpath location and store
+ the result. The value is treated as a string.
+
+ The xpath location might or might not exist.
+ If it does not exist, nothing is done
+
+ :param location: xpath location to fetch
+ :param node: node to read the data from
+ :param variable: name of the data member to store it in [string]
+ :param storage: data object that has the 'variable' data member
+
+ :return: return a list of errors
+ """
+ entry = get_content(location, node)
+ if entry is not None and entry.text is not None:
+ exec "storage.%s = entry.text.strip()" % variable
+
+
+# DO NOT REMOVE Called by outside packages:
+# sas.sasgui.perspectives.invariant.invariant_state
+# sas.sasgui.perspectives.fitting.pagestate
+def get_content(location, node):
+ """
+ Get the first instance of the content of a xpath location.
+
+ :param location: xpath location
+ :param node: node to start at
+
+ :return: Element, or None
+ """
+ nodes = node.xpath(location,
+ namespaces={'ns': CANSAS_NS.get("1.0").get("ns")})
+ if len(nodes) > 0:
+ return nodes[0]
+ else:
+ return None
+
+# DO NOT REMOVE Called by outside packages:
+# sas.sasgui.perspectives.fitting.pagestate
+def write_node(doc, parent, name, value, attr=None):
+ """
+ :param doc: document DOM
+ :param parent: parent node
+ :param name: tag of the element
+ :param value: value of the child text node
+ :param attr: attribute dictionary
+
+ :return: True if something was appended, otherwise False
+ """
+ if attr is None:
+ attr = {}
+ if value is not None:
+ node = doc.createElement(name)
+ node.appendChild(doc.createTextNode(str(value)))
+ for item in attr:
+ node.setAttribute(item, attr[item])
+ parent.appendChild(node)
+ return True
+ return False
diff --git a/src/sas/sascalc/dataloader/readers/cansas_reader_HDF5.py b/src/sas/sascalc/dataloader/readers/cansas_reader_HDF5.py
new file mode 100644
index 0000000..9874f0e
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/cansas_reader_HDF5.py
@@ -0,0 +1,607 @@
+"""
+ CanSAS 2D data reader for reading HDF5 formatted CanSAS files.
+"""
+
+import h5py
+import numpy as np
+import re
+import os
+import sys
+
+from sas.sascalc.dataloader.data_info import plottable_1D, plottable_2D,\
+ Data1D, Data2D, DataInfo, Process, Aperture, Collimation, \
+ TransmissionSpectrum, Detector
+from sas.sascalc.dataloader.data_info import combine_data_info_with_plottable
+
+
+class Reader():
+ """
+ A class for reading in CanSAS v2.0 data files. The existing iteration opens
+ Mantid generated HDF5 formatted files with file extension .h5/.H5. Any
+ number of data sets may be present within the file and any dimensionality
+ of data may be used. Currently 1D and 2D SAS data sets are supported, but
+ future implementations will include 1D and 2D SESANS data.
+
+ Any number of SASdata sets may be present in a SASentry and the data within
+ can be either 1D I(Q) or 2D I(Qx, Qy).
+
+ Also supports reading NXcanSAS formatted HDF5 files
+
+ :Dependencies:
+ The CanSAS HDF5 reader requires h5py => v2.5.0 or later.
+ """
+
+ # CanSAS version
+ cansas_version = 2.0
+ # Logged warnings or messages
+ logging = None
+ # List of errors for the current data set
+ errors = None
+ # Raw file contents to be processed
+ raw_data = None
+ # Data info currently being read in
+ current_datainfo = None
+ # SASdata set currently being read in
+ current_dataset = None
+ # List of plottable1D objects that should be linked to the current_datainfo
+ data1d = None
+ # List of plottable2D objects that should be linked to the current_datainfo
+ data2d = None
+ # Data type name
+ type_name = "CanSAS 2.0"
+ # Wildcards
+ type = ["CanSAS 2.0 HDF5 Files (*.h5)|*.h5"]
+ # List of allowed extensions
+ ext = ['.h5', '.H5']
+ # Flag to bypass extension check
+ allow_all = True
+ # List of files to return
+ output = None
+
+ def read(self, filename):
+ """
+ This is the general read method that all SasView data_loaders must have.
+
+ :param filename: A path for an HDF5 formatted CanSAS 2D data file.
+ :return: List of Data1D/2D objects and/or a list of errors.
+ """
+ # Reinitialize when loading a new data file to reset all class variables
+ self.reset_class_variables()
+ # Check that the file exists
+ if os.path.isfile(filename):
+ basename = os.path.basename(filename)
+ _, extension = os.path.splitext(basename)
+ # If the file type is not allowed, return empty list
+ if extension in self.ext or self.allow_all:
+ # Load the data file
+ self.raw_data = h5py.File(filename, 'r')
+ # Read in all child elements of top level SASroot
+ self.read_children(self.raw_data, [])
+ # Add the last data set to the list of outputs
+ self.add_data_set()
+ # Close the data file
+ self.raw_data.close()
+ # Return data set(s)
+ return self.output
+
+ def reset_class_variables(self):
+ """
+ Create the reader object and define initial states for class variables
+ """
+ self.current_datainfo = None
+ self.current_dataset = None
+ self.data1d = []
+ self.data2d = []
+ self.raw_data = None
+ self.errors = set()
+ self.logging = []
+ self.output = []
+ self.parent_class = u''
+ self.detector = Detector()
+ self.collimation = Collimation()
+ self.aperture = Aperture()
+ self.process = Process()
+ self.trans_spectrum = TransmissionSpectrum()
+
+ def read_children(self, data, parent_list):
+ """
+ A recursive method for stepping through the hierarchical data file.
+
+ :param data: h5py Group object of any kind
+ :param parent: h5py Group parent name
+ """
+
+ # Loop through each element of the parent and process accordingly
+ for key in data.keys():
+ # Get all information for the current key
+ value = data.get(key)
+ if value.attrs.get(u'canSAS_class') is not None:
+ class_name = value.attrs.get(u'canSAS_class')
+ else:
+ class_name = value.attrs.get(u'NX_class')
+ if class_name is not None:
+ class_prog = re.compile(class_name)
+ else:
+ class_prog = re.compile(value.name)
+
+ if isinstance(value, h5py.Group):
+ parent_class = class_name
+ self.parent_class = class_name
+ parent_list.append(key)
+ # If a new sasentry, store the current data sets and create
+ # a fresh Data1D/2D object
+ if class_prog.match(u'SASentry'):
+ self.add_data_set(key)
+ elif class_prog.match(u'SASdata'):
+ self._initialize_new_data_set(parent_list)
+ # Recursion step to access data within the group
+ self.read_children(value, parent_list)
+ self.parent_class = parent_class
+ self.add_intermediate()
+ parent_list.remove(key)
+
+ elif isinstance(value, h5py.Dataset):
+ # If this is a dataset, store the data appropriately
+ data_set = data[key][:]
+ unit = self._get_unit(value)
+
+ # I and Q Data
+ if key == u'I':
+ if isinstance(self.current_dataset, plottable_2D):
+ self.current_dataset.data = data_set
+ self.current_dataset.zaxis("Intensity", unit)
+ else:
+ self.current_dataset.y = data_set.flatten()
+ self.current_dataset.yaxis("Intensity", unit)
+ continue
+ elif key == u'Idev':
+ if isinstance(self.current_dataset, plottable_2D):
+ self.current_dataset.err_data = data_set.flatten()
+ else:
+ self.current_dataset.dy = data_set.flatten()
+ continue
+ elif key == u'Q':
+ self.current_dataset.xaxis("Q", unit)
+ if isinstance(self.current_dataset, plottable_2D):
+ self.current_dataset.q = data_set.flatten()
+ else:
+ self.current_dataset.x = data_set.flatten()
+ continue
+ elif key == u'Qdev':
+ self.current_dataset.dx = data_set.flatten()
+ continue
+ elif key == u'dQw':
+ self.current_dataset.dxw = data_set.flatten()
+ continue
+ elif key == u'dQl':
+ self.current_dataset.dxl = data_set.flatten()
+ continue
+ elif key == u'Qy':
+ self.current_dataset.yaxis("Q_y", unit)
+ self.current_dataset.qy_data = data_set.flatten()
+ continue
+ elif key == u'Qydev':
+ self.current_dataset.dqy_data = data_set.flatten()
+ continue
+ elif key == u'Qx':
+ self.current_dataset.xaxis("Q_x", unit)
+ self.current_dataset.qx_data = data_set.flatten()
+ continue
+ elif key == u'Qxdev':
+ self.current_dataset.dqx_data = data_set.flatten()
+ continue
+ elif key == u'Mask':
+ self.current_dataset.mask = data_set.flatten()
+ continue
+ # Transmission Spectrum
+ elif (key == u'T'
+ and self.parent_class == u'SAStransmission_spectrum'):
+ self.trans_spectrum.transmission = data_set.flatten()
+ continue
+ elif (key == u'Tdev'
+ and self.parent_class == u'SAStransmission_spectrum'):
+ self.trans_spectrum.transmission_deviation = \
+ data_set.flatten()
+ continue
+ elif (key == u'lambda'
+ and self.parent_class == u'SAStransmission_spectrum'):
+ self.trans_spectrum.wavelength = data_set.flatten()
+ continue
+
+ for data_point in data_set:
+ # Top Level Meta Data
+ if key == u'definition':
+ self.current_datainfo.meta_data['reader'] = data_point
+ elif key == u'run':
+ self.current_datainfo.run.append(data_point)
+ try:
+ run_name = value.attrs['name']
+ run_dict = {data_point: run_name}
+ self.current_datainfo.run_name = run_dict
+ except:
+ pass
+ elif key == u'title':
+ self.current_datainfo.title = data_point
+ elif key == u'SASnote':
+ self.current_datainfo.notes.append(data_point)
+
+ # Sample Information
+ # CanSAS 2.0 format
+ elif key == u'Title' and self.parent_class == u'SASsample':
+ self.current_datainfo.sample.name = data_point
+ # NXcanSAS format
+ elif key == u'name' and self.parent_class == u'SASsample':
+ self.current_datainfo.sample.name = data_point
+ # NXcanSAS format
+ elif key == u'ID' and self.parent_class == u'SASsample':
+ self.current_datainfo.sample.name = data_point
+ elif (key == u'thickness'
+ and self.parent_class == u'SASsample'):
+ self.current_datainfo.sample.thickness = data_point
+ elif (key == u'temperature'
+ and self.parent_class == u'SASsample'):
+ self.current_datainfo.sample.temperature = data_point
+ elif (key == u'transmission'
+ and self.parent_class == u'SASsample'):
+ self.current_datainfo.sample.transmission = data_point
+ elif (key == u'x_position'
+ and self.parent_class == u'SASsample'):
+ self.current_datainfo.sample.position.x = data_point
+ elif (key == u'y_position'
+ and self.parent_class == u'SASsample'):
+ self.current_datainfo.sample.position.y = data_point
+ elif key == u'pitch' and self.parent_class == u'SASsample':
+ self.current_datainfo.sample.orientation.x = data_point
+ elif key == u'yaw' and self.parent_class == u'SASsample':
+ self.current_datainfo.sample.orientation.y = data_point
+ elif key == u'roll' and self.parent_class == u'SASsample':
+ self.current_datainfo.sample.orientation.z = data_point
+ elif (key == u'details'
+ and self.parent_class == u'SASsample'):
+ self.current_datainfo.sample.details.append(data_point)
+
+ # Instrumental Information
+ elif (key == u'name'
+ and self.parent_class == u'SASinstrument'):
+ self.current_datainfo.instrument = data_point
+ elif key == u'name' and self.parent_class == u'SASdetector':
+ self.detector.name = data_point
+ elif key == u'SDD' and self.parent_class == u'SASdetector':
+ self.detector.distance = float(data_point)
+ self.detector.distance_unit = unit
+ elif (key == u'slit_length'
+ and self.parent_class == u'SASdetector'):
+ self.detector.slit_length = float(data_point)
+ self.detector.slit_length_unit = unit
+ elif (key == u'x_position'
+ and self.parent_class == u'SASdetector'):
+ self.detector.offset.x = float(data_point)
+ self.detector.offset_unit = unit
+ elif (key == u'y_position'
+ and self.parent_class == u'SASdetector'):
+ self.detector.offset.y = float(data_point)
+ self.detector.offset_unit = unit
+ elif (key == u'pitch'
+ and self.parent_class == u'SASdetector'):
+ self.detector.orientation.x = float(data_point)
+ self.detector.orientation_unit = unit
+ elif key == u'roll' and self.parent_class == u'SASdetector':
+ self.detector.orientation.z = float(data_point)
+ self.detector.orientation_unit = unit
+ elif key == u'yaw' and self.parent_class == u'SASdetector':
+ self.detector.orientation.y = float(data_point)
+ self.detector.orientation_unit = unit
+ elif (key == u'beam_center_x'
+ and self.parent_class == u'SASdetector'):
+ self.detector.beam_center.x = float(data_point)
+ self.detector.beam_center_unit = unit
+ elif (key == u'beam_center_y'
+ and self.parent_class == u'SASdetector'):
+ self.detector.beam_center.y = float(data_point)
+ self.detector.beam_center_unit = unit
+ elif (key == u'x_pixel_size'
+ and self.parent_class == u'SASdetector'):
+ self.detector.pixel_size.x = float(data_point)
+ self.detector.pixel_size_unit = unit
+ elif (key == u'y_pixel_size'
+ and self.parent_class == u'SASdetector'):
+ self.detector.pixel_size.y = float(data_point)
+ self.detector.pixel_size_unit = unit
+ elif (key == u'distance'
+ and self.parent_class == u'SAScollimation'):
+ self.collimation.length = data_point
+ self.collimation.length_unit = unit
+ elif (key == u'name'
+ and self.parent_class == u'SAScollimation'):
+ self.collimation.name = data_point
+ elif (key == u'shape'
+ and self.parent_class == u'SASaperture'):
+ self.aperture.shape = data_point
+ elif (key == u'x_gap'
+ and self.parent_class == u'SASaperture'):
+ self.aperture.size.x = data_point
+ elif (key == u'y_gap'
+ and self.parent_class == u'SASaperture'):
+ self.aperture.size.y = data_point
+
+ # Process Information
+ elif (key == u'Title'
+ and self.parent_class == u'SASprocess'): # CanSAS 2.0
+ self.process.name = data_point
+ elif (key == u'name'
+ and self.parent_class == u'SASprocess'): # NXcanSAS
+ self.process.name = data_point
+ elif (key == u'description'
+ and self.parent_class == u'SASprocess'):
+ self.process.description = data_point
+ elif key == u'date' and self.parent_class == u'SASprocess':
+ self.process.date = data_point
+ elif key == u'term' and self.parent_class == u'SASprocess':
+ self.process.term = data_point
+ elif self.parent_class == u'SASprocess':
+ self.process.notes.append(data_point)
+
+ # Source
+ elif (key == u'wavelength'
+ and self.parent_class == u'SASdata'):
+ self.current_datainfo.source.wavelength = data_point
+ self.current_datainfo.source.wavelength_unit = unit
+ elif (key == u'incident_wavelength'
+ and self.parent_class == 'SASsource'):
+ self.current_datainfo.source.wavelength = data_point
+ self.current_datainfo.source.wavelength_unit = unit
+ elif (key == u'wavelength_max'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.wavelength_max = data_point
+ self.current_datainfo.source.wavelength_max_unit = unit
+ elif (key == u'wavelength_min'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.wavelength_min = data_point
+ self.current_datainfo.source.wavelength_min_unit = unit
+ elif (key == u'incident_wavelength_spread'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.wavelength_spread = \
+ data_point
+ self.current_datainfo.source.wavelength_spread_unit = \
+ unit
+ elif (key == u'beam_size_x'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.beam_size.x = data_point
+ self.current_datainfo.source.beam_size_unit = unit
+ elif (key == u'beam_size_y'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.beam_size.y = data_point
+ self.current_datainfo.source.beam_size_unit = unit
+ elif (key == u'beam_shape'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.beam_shape = data_point
+ elif (key == u'radiation'
+ and self.parent_class == u'SASsource'):
+ self.current_datainfo.source.radiation = data_point
+ elif (key == u'transmission'
+ and self.parent_class == u'SASdata'):
+ self.current_datainfo.sample.transmission = data_point
+
+ # Everything else goes in meta_data
+ else:
+ new_key = self._create_unique_key(
+ self.current_datainfo.meta_data, key)
+ self.current_datainfo.meta_data[new_key] = data_point
+
+ else:
+ # I don't know if this reachable code
+ self.errors.add("ShouldNeverHappenException")
+
+ def add_intermediate(self):
+ """
+ This method stores any intermediate objects within the final data set
+ after fully reading the set.
+
+ :param parent: The NXclass name for the h5py Group object that just
+ finished being processed
+ """
+
+ if self.parent_class == u'SASprocess':
+ self.current_datainfo.process.append(self.process)
+ self.process = Process()
+ elif self.parent_class == u'SASdetector':
+ self.current_datainfo.detector.append(self.detector)
+ self.detector = Detector()
+ elif self.parent_class == u'SAStransmission_spectrum':
+ self.current_datainfo.trans_spectrum.append(self.trans_spectrum)
+ self.trans_spectrum = TransmissionSpectrum()
+ elif self.parent_class == u'SAScollimation':
+ self.current_datainfo.collimation.append(self.collimation)
+ self.collimation = Collimation()
+ elif self.parent_class == u'SASaperture':
+ self.collimation.aperture.append(self.aperture)
+ self.aperture = Aperture()
+ elif self.parent_class == u'SASdata':
+ if isinstance(self.current_dataset, plottable_2D):
+ self.data2d.append(self.current_dataset)
+ elif isinstance(self.current_dataset, plottable_1D):
+ self.data1d.append(self.current_dataset)
+
+ def final_data_cleanup(self):
+ """
+ Does some final cleanup and formatting on self.current_datainfo and
+ all data1D and data2D objects and then combines the data and info into
+ Data1D and Data2D objects
+ """
+
+ # Type cast data arrays to float64
+ if len(self.current_datainfo.trans_spectrum) > 0:
+ spectrum_list = []
+ for spectrum in self.current_datainfo.trans_spectrum:
+ spectrum.transmission = np.delete(spectrum.transmission, [0])
+ spectrum.transmission = spectrum.transmission.astype(np.float64)
+ spectrum.transmission_deviation = np.delete(
+ spectrum.transmission_deviation, [0])
+ spectrum.transmission_deviation = \
+ spectrum.transmission_deviation.astype(np.float64)
+ spectrum.wavelength = np.delete(spectrum.wavelength, [0])
+ spectrum.wavelength = spectrum.wavelength.astype(np.float64)
+ if len(spectrum.transmission) > 0:
+ spectrum_list.append(spectrum)
+ self.current_datainfo.trans_spectrum = spectrum_list
+
+ # Append errors to dataset and reset class errors
+ self.current_datainfo.errors = self.errors
+ self.errors.clear()
+
+ # Combine all plottables with datainfo and append each to output
+ # Type cast data arrays to float64 and find min/max as appropriate
+ for dataset in self.data2d:
+ dataset.data = dataset.data.astype(np.float64)
+ dataset.err_data = dataset.err_data.astype(np.float64)
+ if dataset.qx_data is not None:
+ dataset.xmin = np.min(dataset.qx_data)
+ dataset.xmax = np.max(dataset.qx_data)
+ dataset.qx_data = dataset.qx_data.astype(np.float64)
+ if dataset.dqx_data is not None:
+ dataset.dqx_data = dataset.dqx_data.astype(np.float64)
+ if dataset.qy_data is not None:
+ dataset.ymin = np.min(dataset.qy_data)
+ dataset.ymax = np.max(dataset.qy_data)
+ dataset.qy_data = dataset.qy_data.astype(np.float64)
+ if dataset.dqy_data is not None:
+ dataset.dqy_data = dataset.dqy_data.astype(np.float64)
+ if dataset.q_data is not None:
+ dataset.q_data = dataset.q_data.astype(np.float64)
+ zeros = np.ones(dataset.data.size, dtype=bool)
+ try:
+ for i in range(0, dataset.mask.size - 1):
+ zeros[i] = dataset.mask[i]
+ except:
+ self.errors.add(sys.exc_value)
+ dataset.mask = zeros
+ # Calculate the actual Q matrix
+ try:
+ if dataset.q_data.size <= 1:
+ dataset.q_data = np.sqrt(dataset.qx_data
+ * dataset.qx_data
+ + dataset.qy_data
+ * dataset.qy_data)
+ except:
+ dataset.q_data = None
+
+ if dataset.data.ndim == 2:
+ (n_rows, n_cols) = dataset.data.shape
+ dataset.y_bins = dataset.qy_data[0::n_cols]
+ dataset.x_bins = dataset.qx_data[:n_cols]
+ dataset.data = dataset.data.flatten()
+
+ final_dataset = combine_data_info_with_plottable(
+ dataset, self.current_datainfo)
+ self.output.append(final_dataset)
+
+ for dataset in self.data1d:
+ if dataset.x is not None:
+ dataset.x = dataset.x.astype(np.float64)
+ dataset.xmin = np.min(dataset.x)
+ dataset.xmax = np.max(dataset.x)
+ if dataset.y is not None:
+ dataset.y = dataset.y.astype(np.float64)
+ dataset.ymin = np.min(dataset.y)
+ dataset.ymax = np.max(dataset.y)
+ if dataset.dx is not None:
+ dataset.dx = dataset.dx.astype(np.float64)
+ if dataset.dxl is not None:
+ dataset.dxl = dataset.dxl.astype(np.float64)
+ if dataset.dxw is not None:
+ dataset.dxw = dataset.dxw.astype(np.float64)
+ if dataset.dy is not None:
+ dataset.dy = dataset.dy.astype(np.float64)
+ final_dataset = combine_data_info_with_plottable(
+ dataset, self.current_datainfo)
+ self.output.append(final_dataset)
+
+ def add_data_set(self, key=""):
+ """
+ Adds the current_dataset to the list of outputs after preforming final
+ processing on the data and then calls a private method to generate a
+ new data set.
+
+ :param key: NeXus group name for current tree level
+ """
+
+ if self.current_datainfo and self.current_dataset:
+ self.final_data_cleanup()
+ self.data1d = []
+ self.data2d = []
+ self.current_datainfo = DataInfo()
+
+
+ def _initialize_new_data_set(self, parent_list=None):
+ """
+ A private class method to generate a new 1D or 2D data object based on
+ the type of data within the set. Outside methods should call
+ add_data_set() to be sure any existing data is stored properly.
+
+ :param parent_list: List of names of parent elements
+ """
+
+ if parent_list is None:
+ parent_list = []
+ if self._find_intermediate(parent_list, "Qx"):
+ self.current_dataset = plottable_2D()
+ else:
+ x = np.array(0)
+ y = np.array(0)
+ self.current_dataset = plottable_1D(x, y)
+ self.current_datainfo.filename = self.raw_data.filename
+
+ def _find_intermediate(self, parent_list, basename=""):
+ """
+ A private class used to find an entry by either using a direct key or
+ knowing the approximate basename.
+
+ :param parent_list: List of parents nodes in the HDF5 file
+ :param basename: Approximate name of an entry to search for
+ :return:
+ """
+
+ entry = False
+ key_prog = re.compile(basename)
+ top = self.raw_data
+ for parent in parent_list:
+ top = top.get(parent)
+ for key in top.keys():
+ if key_prog.match(key):
+ entry = True
+ break
+ return entry
+
+ def _create_unique_key(self, dictionary, name, numb=0):
+ """
+ Create a unique key value for any dictionary to prevent overwriting
+ Recurses until a unique key value is found.
+
+ :param dictionary: A dictionary with any number of entries
+ :param name: The index of the item to be added to dictionary
+ :param numb: The number to be appended to the name, starts at 0
+ :return: The new name for the dictionary entry
+ """
+ if dictionary.get(name) is not None:
+ numb += 1
+ name = name.split("_")[0]
+ name += "_{0}".format(numb)
+ name = self._create_unique_key(dictionary, name, numb)
+ return name
+
+ def _get_unit(self, value):
+ """
+ Find the unit for a particular value within the h5py dictionary
+
+ :param value: attribute dictionary for a particular value set
+ :return: unit for the value passed to the method
+ """
+ unit = value.attrs.get(u'units')
+ if unit is None:
+ unit = value.attrs.get(u'unit')
+ # Convert the unit formats
+ if unit == "1/A":
+ unit = "A^{-1}"
+ elif unit == "1/cm":
+ unit = "cm^{-1}"
+ return unit
diff --git a/src/sas/sascalc/dataloader/readers/danse_reader.py b/src/sas/sascalc/dataloader/readers/danse_reader.py
new file mode 100644
index 0000000..3c6086b
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/danse_reader.py
@@ -0,0 +1,280 @@
+"""
+ DANSE/SANS file reader
+"""
+############################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#If you use DANSE applications to do scientific research that leads to
+#publication, we ask that you acknowledge the use of the software with the
+#following sentence:
+#This work benefited from DANSE software developed under NSF award DMR-0520547.
+#copyright 2008, University of Tennessee
+#############################################################################
+import math
+import os
+import sys
+import numpy
+import logging
+from sas.sascalc.dataloader.data_info import Data2D, Detector
+from sas.sascalc.dataloader.manipulations import reader2D_converter
+
+# Look for unit converter
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+
+
+class Reader:
+ """
+ Example data manipulation
+ """
+ ## File type
+ type_name = "DANSE"
+ ## Wildcards
+ type = ["DANSE files (*.sans)|*.sans"]
+ ## Extension
+ ext = ['.sans', '.SANS']
+
+ def read(self, filename=None):
+ """
+ Open and read the data in a file
+ @param file: path of the file
+ """
+
+ read_it = False
+ for item in self.ext:
+ if filename.lower().find(item) >= 0:
+ read_it = True
+
+ if read_it:
+ try:
+ datafile = open(filename, 'r')
+ except:
+ raise RuntimeError,"danse_reader cannot open %s" % (filename)
+
+ # defaults
+ # wavelength in Angstrom
+ wavelength = 10.0
+ # Distance in meter
+ distance = 11.0
+ # Pixel number of center in x
+ center_x = 65
+ # Pixel number of center in y
+ center_y = 65
+ # Pixel size [mm]
+ pixel = 5.0
+ # Size in x, in pixels
+ size_x = 128
+ # Size in y, in pixels
+ size_y = 128
+ # Format version
+ fversion = 1.0
+
+ output = Data2D()
+ output.filename = os.path.basename(filename)
+ detector = Detector()
+ output.detector.append(detector)
+
+ output.data = numpy.zeros([size_x,size_y])
+ output.err_data = numpy.zeros([size_x, size_y])
+
+ data_conv_q = None
+ data_conv_i = None
+
+ if has_converter == True and output.Q_unit != '1/A':
+ data_conv_q = Converter('1/A')
+ # Test it
+ data_conv_q(1.0, output.Q_unit)
+
+ if has_converter == True and output.I_unit != '1/cm':
+ data_conv_i = Converter('1/cm')
+ # Test it
+ data_conv_i(1.0, output.I_unit)
+
+ read_on = True
+ while read_on:
+ line = datafile.readline()
+ if line.find("DATA:") >= 0:
+ read_on = False
+ break
+ toks = line.split(':')
+ if toks[0] == "FORMATVERSION":
+ fversion = float(toks[1])
+ if toks[0] == "WAVELENGTH":
+ wavelength = float(toks[1])
+ elif toks[0] == "DISTANCE":
+ distance = float(toks[1])
+ elif toks[0] == "CENTER_X":
+ center_x = float(toks[1])
+ elif toks[0] == "CENTER_Y":
+ center_y = float(toks[1])
+ elif toks[0] == "PIXELSIZE":
+ pixel = float(toks[1])
+ elif toks[0] == "SIZE_X":
+ size_x = int(toks[1])
+ elif toks[0] == "SIZE_Y":
+ size_y = int(toks[1])
+
+ # Read the data
+ data = []
+ error = []
+ if fversion == 1.0:
+ data_str = datafile.readline()
+ data = data_str.split(' ')
+ else:
+ read_on = True
+ while read_on:
+ data_str = datafile.readline()
+ if len(data_str) == 0:
+ read_on = False
+ else:
+ toks = data_str.split()
+ try:
+ val = float(toks[0])
+ err = float(toks[1])
+ if data_conv_i is not None:
+ val = data_conv_i(val, units=output._yunit)
+ err = data_conv_i(err, units=output._yunit)
+ data.append(val)
+ error.append(err)
+ except:
+ logging.info("Skipping line:%s,%s" %(data_str,
+ sys.exc_value))
+
+ # Initialize
+ x_vals = []
+ y_vals = []
+ ymin = None
+ ymax = None
+ xmin = None
+ xmax = None
+
+ # Qx and Qy vectors
+ theta = pixel / distance / 100.0
+ stepq = 4.0 * math.pi / wavelength * math.sin(theta / 2.0)
+ for i_x in range(size_x):
+ theta = (i_x - center_x + 1) * pixel / distance / 100.0
+ qx = 4.0 * math.pi / wavelength * math.sin(theta / 2.0)
+
+ if has_converter == True and output.Q_unit != '1/A':
+ qx = data_conv_q(qx, units=output.Q_unit)
+
+ x_vals.append(qx)
+ if xmin == None or qx < xmin:
+ xmin = qx
+ if xmax == None or qx > xmax:
+ xmax = qx
+
+ ymin = None
+ ymax = None
+ for i_y in range(size_y):
+ theta = (i_y - center_y + 1) * pixel / distance / 100.0
+ qy = 4.0 * math.pi / wavelength * math.sin(theta/2.0)
+
+ if has_converter == True and output.Q_unit != '1/A':
+ qy = data_conv_q(qy, units=output.Q_unit)
+
+ y_vals.append(qy)
+ if ymin == None or qy < ymin:
+ ymin = qy
+ if ymax == None or qy > ymax:
+ ymax = qy
+
+ # Store the data in the 2D array
+ i_x = 0
+ i_y = -1
+
+ for i_pt in range(len(data)):
+ try:
+ value = float(data[i_pt])
+ except:
+ # For version 1.0, the data were still
+ # stored as strings at this point.
+ msg = "Skipping entry (v1.0):%s,%s" % (str(data[i_pt]),
+ sys.exc_value)
+ logging.info(msg)
+
+ # Get bin number
+ if math.fmod(i_pt, size_x) == 0:
+ i_x = 0
+ i_y += 1
+ else:
+ i_x += 1
+
+ output.data[i_y][i_x] = value
+ if fversion>1.0:
+ output.err_data[i_y][i_x] = error[i_pt]
+
+ # Store all data
+ # Store wavelength
+ if has_converter == True and output.source.wavelength_unit != 'A':
+ conv = Converter('A')
+ wavelength = conv(wavelength,
+ units=output.source.wavelength_unit)
+ output.source.wavelength = wavelength
+
+ # Store distance
+ if has_converter == True and detector.distance_unit != 'm':
+ conv = Converter('m')
+ distance = conv(distance, units=detector.distance_unit)
+ detector.distance = distance
+
+ # Store pixel size
+ if has_converter == True and detector.pixel_size_unit != 'mm':
+ conv = Converter('mm')
+ pixel = conv(pixel, units=detector.pixel_size_unit)
+ detector.pixel_size.x = pixel
+ detector.pixel_size.y = pixel
+
+ # Store beam center in distance units
+ detector.beam_center.x = center_x * pixel
+ detector.beam_center.y = center_y * pixel
+
+ # Store limits of the image (2D array)
+ xmin = xmin - stepq / 2.0
+ xmax = xmax + stepq / 2.0
+ ymin = ymin - stepq /2.0
+ ymax = ymax + stepq / 2.0
+
+ if has_converter == True and output.Q_unit != '1/A':
+ xmin = data_conv_q(xmin, units=output.Q_unit)
+ xmax = data_conv_q(xmax, units=output.Q_unit)
+ ymin = data_conv_q(ymin, units=output.Q_unit)
+ ymax = data_conv_q(ymax, units=output.Q_unit)
+ output.xmin = xmin
+ output.xmax = xmax
+ output.ymin = ymin
+ output.ymax = ymax
+
+ # Store x and y axis bin centers
+ output.x_bins = x_vals
+ output.y_bins = y_vals
+
+ # Units
+ if data_conv_q is not None:
+ output.xaxis("\\rm{Q_{x}}", output.Q_unit)
+ output.yaxis("\\rm{Q_{y}}", output.Q_unit)
+ else:
+ output.xaxis("\\rm{Q_{x}}", 'A^{-1}')
+ output.yaxis("\\rm{Q_{y}}", 'A^{-1}')
+
+ if data_conv_i is not None:
+ output.zaxis("\\rm{Intensity}", output.I_unit)
+ else:
+ output.zaxis("\\rm{Intensity}", "cm^{-1}")
+
+ if not fversion >= 1.0:
+ msg = "Danse_reader can't read this file %s" % filename
+ raise ValueError, msg
+ else:
+ logging.info("Danse_reader Reading %s \n" % filename)
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ output = reader2D_converter(output)
+ return output
+
+ return None
diff --git a/src/sas/sascalc/dataloader/readers/defaults.json b/src/sas/sascalc/dataloader/readers/defaults.json
new file mode 100644
index 0000000..613855d
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/defaults.json
@@ -0,0 +1,50 @@
+{
+ "SasLoader":{
+ "FileType":[
+ {
+ "-extension":".xml",
+ "-reader":"cansas_reader"
+ },
+ {
+ "-extension":".ses",
+ "-reader":"sesans_reader"
+ },
+ {
+ "-extension":".h5",
+ "-reader":"cansas_reader_HDF5"
+ },
+ {
+ "-extension":".txt",
+ "-reader":"ascii_reader"
+ },
+ {
+ "-extension":".asc",
+ "-reader":"IgorReader"
+ },
+ {
+ "-extension":".dat",
+ "-reader":"red2d_reader"
+ },
+ {
+ "-extension":".abs",
+ "-reader":"abs_reader"
+ },
+ {
+ "-extension":".d1d",
+ "-reader":"hfir1d_reader"
+ },
+ {
+ "-extension":".sans",
+ "-reader":"danse_reader"
+ },
+ {
+ "-extension":".nxs",
+ "-reader":"nexus_reader"
+ },
+ {
+ "-extension":".pdh",
+ "-reader":"anton_paar_saxs_reader"
+ }
+ ]
+ }
+}
\ No newline at end of file
diff --git a/src/sas/sascalc/dataloader/readers/hfir1d_reader.py b/src/sas/sascalc/dataloader/readers/hfir1d_reader.py
new file mode 100644
index 0000000..6049437
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/hfir1d_reader.py
@@ -0,0 +1,129 @@
+"""
+ HFIR 1D 4-column data reader
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+import numpy
+import os
+from sas.sascalc.dataloader.data_info import Data1D
+
+# Check whether we have a converter available
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+
+class Reader(object):
+ """
+ Class to load HFIR 1D 4-column files
+ """
+ ## File type
+ type_name = "HFIR 1D"
+ ## Wildcards
+ type = ["HFIR 1D files (*.d1d)|*.d1d"]
+ ## List of allowed extensions
+ ext = ['.d1d']
+
+ def read(self, path):
+ """
+ Load data file
+
+ :param path: file path
+
+ :return: Data1D object, or None
+
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+ """
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ root, extension = os.path.splitext(basename)
+ if extension.lower() in self.ext:
+ try:
+ input_f = open(path,'r')
+ except:
+ raise RuntimeError, "hfir1d_reader: cannot open %s" % path
+ buff = input_f.read()
+ lines = buff.split('\n')
+ x = numpy.zeros(0)
+ y = numpy.zeros(0)
+ dx = numpy.zeros(0)
+ dy = numpy.zeros(0)
+ output = Data1D(x, y, dx=dx, dy=dy)
+ self.filename = output.filename = basename
+
+ data_conv_q = None
+ data_conv_i = None
+
+ if has_converter == True and output.x_unit != '1/A':
+ data_conv_q = Converter('1/A')
+ # Test it
+ data_conv_q(1.0, output.x_unit)
+
+ if has_converter == True and output.y_unit != '1/cm':
+ data_conv_i = Converter('1/cm')
+ # Test it
+ data_conv_i(1.0, output.y_unit)
+
+ for line in lines:
+ toks = line.split()
+ try:
+ _x = float(toks[0])
+ _y = float(toks[1])
+ _dx = float(toks[3])
+ _dy = float(toks[2])
+
+ if data_conv_q is not None:
+ _x = data_conv_q(_x, units=output.x_unit)
+ _dx = data_conv_q(_dx, units=output.x_unit)
+
+ if data_conv_i is not None:
+ _y = data_conv_i(_y, units=output.y_unit)
+ _dy = data_conv_i(_dy, units=output.y_unit)
+
+ x = numpy.append(x, _x)
+ y = numpy.append(y, _y)
+ dx = numpy.append(dx, _dx)
+ dy = numpy.append(dy, _dy)
+ except:
+ # Couldn't parse this line, skip it
+ pass
+
+ # Sanity check
+ if not len(y) == len(dy):
+ msg = "hfir1d_reader: y and dy have different length"
+ raise RuntimeError, msg
+ if not len(x) == len(dx):
+ msg = "hfir1d_reader: x and dx have different length"
+ raise RuntimeError, msg
+
+ # If the data length is zero, consider this as
+ # though we were not able to read the file.
+ if len(x) == 0:
+ raise RuntimeError, "hfir1d_reader: could not load file"
+
+ output.x = x
+ output.y = y
+ output.dy = dy
+ output.dx = dx
+ if data_conv_q is not None:
+ output.xaxis("\\rm{Q}", output.x_unit)
+ else:
+ output.xaxis("\\rm{Q}", 'A^{-1}')
+ if data_conv_i is not None:
+ output.yaxis("\\rm{Intensity}", output.y_unit)
+ else:
+ output.yaxis("\\rm{Intensity}", "cm^{-1}")
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ return output
+ else:
+ raise RuntimeError, "%s is not a file" % path
+ return None
diff --git a/src/sas/sascalc/dataloader/readers/nexus_reader.py b/src/sas/sascalc/dataloader/readers/nexus_reader.py
new file mode 100644
index 0000000..4c305dc
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/nexus_reader.py
@@ -0,0 +1,96 @@
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2012, University of Tennessee
+######################################################################
+"""
+ Nexus reader for 2D data reduced by Mantid
+"""
+import os
+from sas.sascalc.dataloader.data_info import Data2D
+
+
+class Reader:
+ """
+ Nexus reader for 2D data reduced by Mantid
+ """
+ ## File type
+ type_name = "NXS"
+ ## Wildcards
+ type = ["Nexus files (*.nxs)|*.nxs"]
+ ## Extension
+ ext = ['.nxs']
+
+ def read(self, filename=None):
+ """
+ Open and read the data in a file
+
+ :param filename: path of the file
+ """
+ try:
+ import nxs
+ except:
+ msg = "Error reading Nexus file: Nexus package is missing.\n"
+ msg += " Get it from http://http://www.nexusformat.org/"
+ raise RuntimeError, msg
+
+ # Instantiate data object
+ output = Data2D()
+ output.filename = os.path.basename(filename)
+
+ fd = nxs.open(filename, 'rw')
+
+ # Read in the 2D data
+ fd.opengroup('mantid_workspace_1')
+ fd.opengroup('workspace')
+ fd.opendata('values')
+ output.data = fd.getdata().copy()
+ fd.closedata()
+
+ # Read in the errors
+ fd.opendata('errors')
+ output.err_data = fd.getdata().copy()
+ fd.closedata()
+
+ # Read in the values on each axis
+ fd.opendata('axis1')
+ output.x_bins = fd.getdata().copy()
+ fd.closedata()
+
+ fd.opendata('axis2')
+ output.y_bins = fd.getdata().copy()
+ fd.closedata()
+ fd.closegroup()
+
+ output.xmin = min(output.x_bins)
+ output.xmax = max(output.x_bins)
+ output.ymin = min(output.y_bins)
+ output.ymax = max(output.y_bins)
+
+ output.xaxis("\\rm{Q_{x}}", 'A^{-1}')
+ output.yaxis("\\rm{Q_{y}}", 'A^{-1}')
+ output.zaxis("\\rm{Intensity}", "cm^{-1}")
+
+ # Meta data
+ fd.opendata('title')
+ output.title = fd.getdata()
+ fd.closedata()
+
+ fd.opengroup('instrument')
+ fd.opendata('name')
+ output.instrument = fd.getdata()
+ fd.closedata()
+ fd.closegroup()
+
+ fd.opengroup('logs')
+ fd.opengroup('run_number')
+ fd.opendata('value')
+ output.run = fd.getdata()
+
+ fd.close()
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ return output
diff --git a/src/sas/sascalc/dataloader/readers/red2d_reader.py b/src/sas/sascalc/dataloader/readers/red2d_reader.py
new file mode 100644
index 0000000..5b0397b
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/red2d_reader.py
@@ -0,0 +1,367 @@
+"""
+ TXT/IGOR 2D Q Map file reader
+"""
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+import os
+import numpy
+import math
+from sas.sascalc.dataloader.data_info import Data2D, Detector
+
+# Look for unit converter
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+
+
+def check_point(x_point):
+ """
+ check point validity
+ """
+ # set zero for non_floats
+ try:
+ return float(x_point)
+ except:
+ return 0
+
+
+class Reader:
+ """ Simple data reader for Igor data files """
+ ## File type
+ type_name = "IGOR/DAT 2D Q_map"
+ ## Wildcards
+ type = ["IGOR/DAT 2D file in Q_map (*.dat)|*.DAT"]
+ ## Extension
+ ext = ['.DAT', '.dat']
+
+ def write(self, filename, data):
+ """
+ Write to .dat
+
+ :param filename: file name to write
+ :param data: data2D
+ """
+ import time
+ # Write the file
+ fd = open(filename, 'w')
+ t = time.localtime()
+ time_str = time.strftime("%H:%M on %b %d %y", t)
+
+ header_str = "Data columns are Qx - Qy - I(Qx,Qy)\n\nASCII data"
+ header_str += " created at %s \n\n" % time_str
+ # simple 2D header
+ fd.write(header_str)
+ # write qx qy I values
+ for i in range(len(data.data)):
+ fd.write("%g %g %g\n" % (data.qx_data[i],
+ data.qy_data[i],
+ data.data[i]))
+ # close
+ fd.close()
+
+ def read(self, filename=None):
+ """ Read file """
+ if not os.path.isfile(filename):
+ raise ValueError, \
+ "Specified file %s is not a regular file" % filename
+
+ # Read file
+ f = open(filename, 'r')
+ buf = f.read()
+ f.close()
+ # Instantiate data object
+ output = Data2D()
+ output.filename = os.path.basename(filename)
+ detector = Detector()
+ if len(output.detector) > 0:
+ print str(output.detector[0])
+ output.detector.append(detector)
+
+ # Get content
+ dataStarted = False
+
+ ## Defaults
+ lines = buf.split('\n')
+ x = []
+ y = []
+
+ wavelength = None
+ distance = None
+ transmission = None
+
+ pixel_x = None
+ pixel_y = None
+
+ isInfo = False
+ isCenter = False
+
+ data_conv_q = None
+ data_conv_i = None
+
+ # Set units: This is the unit assumed for Q and I in the data file.
+ if has_converter == True and output.Q_unit != '1/A':
+ data_conv_q = Converter('1/A')
+ # Test it
+ data_conv_q(1.0, output.Q_unit)
+
+ if has_converter == True and output.I_unit != '1/cm':
+ data_conv_i = Converter('1/cm')
+ # Test it
+ data_conv_i(1.0, output.I_unit)
+
+
+ # Remove the last lines before the for loop if the lines are empty
+ # to calculate the exact number of data points
+ count = 0
+ while (len(lines[len(lines) - (count + 1)].lstrip().rstrip()) < 1):
+ del lines[len(lines) - (count + 1)]
+ count = count + 1
+
+ #Read Header and find the dimensions of 2D data
+ line_num = 0
+ # Old version NIST files: 0
+ ver = 0
+ for line in lines:
+ line_num += 1
+ ## Reading the header applies only to IGOR/NIST 2D q_map data files
+ # Find setup info line
+ if isInfo:
+ isInfo = False
+ line_toks = line.split()
+ # Wavelength in Angstrom
+ try:
+ wavelength = float(line_toks[1])
+ # Units
+ if has_converter == True and \
+ output.source.wavelength_unit != 'A':
+ conv = Converter('A')
+ wavelength = conv(wavelength,
+ units=output.source.wavelength_unit)
+ except:
+ #Not required
+ pass
+ # Distance in mm
+ try:
+ distance = float(line_toks[3])
+ # Units
+ if has_converter == True and detector.distance_unit != 'm':
+ conv = Converter('m')
+ distance = conv(distance, units=detector.distance_unit)
+ except:
+ #Not required
+ pass
+
+ # Distance in meters
+ try:
+ transmission = float(line_toks[4])
+ except:
+ #Not required
+ pass
+
+ if line.count("LAMBDA") > 0:
+ isInfo = True
+
+ # Find center info line
+ if isCenter:
+ isCenter = False
+ line_toks = line.split()
+ # Center in bin number
+ center_x = float(line_toks[0])
+ center_y = float(line_toks[1])
+
+ if line.count("BCENT") > 0:
+ isCenter = True
+ # Check version
+ if line.count("Data columns") > 0:
+ if line.count("err(I)") > 0:
+ ver = 1
+ # Find data start
+ if line.count("ASCII data") > 0:
+ dataStarted = True
+ continue
+
+ ## Read and get data.
+ if dataStarted == True:
+ line_toks = line.split()
+ if len(line_toks) == 0:
+ #empty line
+ continue
+ # the number of columns must be stayed same
+ col_num = len(line_toks)
+ break
+ # Make numpy array to remove header lines using index
+ lines_array = numpy.array(lines)
+
+ # index for lines_array
+ lines_index = numpy.arange(len(lines))
+
+ # get the data lines
+ data_lines = lines_array[lines_index >= (line_num - 1)]
+ # Now we get the total number of rows (i.e., # of data points)
+ row_num = len(data_lines)
+ # make it as list again to control the separators
+ data_list = " ".join(data_lines.tolist())
+ # split all data to one big list w/" "separator
+ data_list = data_list.split()
+
+ # Check if the size is consistent with data, otherwise
+ #try the tab(\t) separator
+ # (this may be removed once get the confidence
+ #the former working all cases).
+ if len(data_list) != (len(data_lines)) * col_num:
+ data_list = "\t".join(data_lines.tolist())
+ data_list = data_list.split()
+
+ # Change it(string) into float
+ #data_list = map(float,data_list)
+ data_list1 = map(check_point, data_list)
+
+ # numpy array form
+ data_array = numpy.array(data_list1)
+ # Redimesion based on the row_num and col_num,
+ #otherwise raise an error.
+ try:
+ data_point = data_array.reshape(row_num, col_num).transpose()
+ except:
+ msg = "red2d_reader: Can't read this file: Not a proper file format"
+ raise ValueError, msg
+ ## Get the all data: Let's HARDcoding; Todo find better way
+ # Defaults
+ dqx_data = numpy.zeros(0)
+ dqy_data = numpy.zeros(0)
+ err_data = numpy.ones(row_num)
+ qz_data = numpy.zeros(row_num)
+ mask = numpy.ones(row_num, dtype=bool)
+ # Get from the array
+ qx_data = data_point[0]
+ qy_data = data_point[1]
+ data = data_point[2]
+ if ver == 1:
+ if col_num > (2 + ver):
+ err_data = data_point[(2 + ver)]
+ if col_num > (3 + ver):
+ qz_data = data_point[(3 + ver)]
+ if col_num > (4 + ver):
+ dqx_data = data_point[(4 + ver)]
+ if col_num > (5 + ver):
+ dqy_data = data_point[(5 + ver)]
+ #if col_num > (6 + ver): mask[data_point[(6 + ver)] < 1] = False
+ q_data = numpy.sqrt(qx_data*qx_data+qy_data*qy_data+qz_data*qz_data)
+
+ # Extra protection(it is needed for some data files):
+ # If all mask elements are False, put all True
+ if not mask.any():
+ mask[mask == False] = True
+
+ # Store limits of the image in q space
+ xmin = numpy.min(qx_data)
+ xmax = numpy.max(qx_data)
+ ymin = numpy.min(qy_data)
+ ymax = numpy.max(qy_data)
+
+ # units
+ if has_converter == True and output.Q_unit != '1/A':
+ xmin = data_conv_q(xmin, units=output.Q_unit)
+ xmax = data_conv_q(xmax, units=output.Q_unit)
+ ymin = data_conv_q(ymin, units=output.Q_unit)
+ ymax = data_conv_q(ymax, units=output.Q_unit)
+
+ ## calculate the range of the qx and qy_data
+ x_size = math.fabs(xmax - xmin)
+ y_size = math.fabs(ymax - ymin)
+
+ # calculate the number of pixels in the each axes
+ npix_y = math.floor(math.sqrt(len(data)))
+ npix_x = math.floor(len(data) / npix_y)
+
+ # calculate the size of bins
+ xstep = x_size / (npix_x - 1)
+ ystep = y_size / (npix_y - 1)
+
+ # store x and y axis bin centers in q space
+ x_bins = numpy.arange(xmin, xmax + xstep, xstep)
+ y_bins = numpy.arange(ymin, ymax + ystep, ystep)
+
+ # get the limits of q values
+ xmin = xmin - xstep / 2
+ xmax = xmax + xstep / 2
+ ymin = ymin - ystep / 2
+ ymax = ymax + ystep / 2
+
+ #Store data in outputs
+ #TODO: Check the lengths
+ output.data = data
+ if (err_data == 1).all():
+ output.err_data = numpy.sqrt(numpy.abs(data))
+ output.err_data[output.err_data == 0.0] = 1.0
+ else:
+ output.err_data = err_data
+
+ output.qx_data = qx_data
+ output.qy_data = qy_data
+ output.q_data = q_data
+ output.mask = mask
+
+ output.x_bins = x_bins
+ output.y_bins = y_bins
+
+ output.xmin = xmin
+ output.xmax = xmax
+ output.ymin = ymin
+ output.ymax = ymax
+
+ output.source.wavelength = wavelength
+
+ # Store pixel size in mm
+ detector.pixel_size.x = pixel_x
+ detector.pixel_size.y = pixel_y
+
+ # Store the sample to detector distance
+ detector.distance = distance
+
+ # optional data: if all of dq data == 0, do not pass to output
+ if len(dqx_data) == len(qx_data) and dqx_data.any() != 0:
+ # if no dqx_data, do not pass dqy_data.
+ #(1 axis dq is not supported yet).
+ if len(dqy_data) == len(qy_data) and dqy_data.any() != 0:
+ # Currently we do not support dq parr, perp.
+ # tranfer the comp. to cartesian coord. for newer version.
+ if ver != 1:
+ diag = numpy.sqrt(qx_data * qx_data + qy_data * qy_data)
+ cos_th = qx_data / diag
+ sin_th = qy_data / diag
+ output.dqx_data = numpy.sqrt((dqx_data * cos_th) * \
+ (dqx_data * cos_th) \
+ + (dqy_data * sin_th) * \
+ (dqy_data * sin_th))
+ output.dqy_data = numpy.sqrt((dqx_data * sin_th) * \
+ (dqx_data * sin_th) \
+ + (dqy_data * cos_th) * \
+ (dqy_data * cos_th))
+ else:
+ output.dqx_data = dqx_data
+ output.dqy_data = dqy_data
+
+ # Units of axes
+ if data_conv_q is not None:
+ output.xaxis("\\rm{Q_{x}}", output.Q_unit)
+ output.yaxis("\\rm{Q_{y}}", output.Q_unit)
+ else:
+ output.xaxis("\\rm{Q_{x}}", 'A^{-1}')
+ output.yaxis("\\rm{Q_{y}}", 'A^{-1}')
+ if data_conv_i is not None:
+ output.zaxis("\\rm{Intensity}", output.I_unit)
+ else:
+ output.zaxis("\\rm{Intensity}", "cm^{-1}")
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+
+ return output
diff --git a/src/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_0.xsd b/src/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_0.xsd
new file mode 100644
index 0000000..c98b984
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_0.xsd
@@ -0,0 +1,98 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="xsd-documentation.xsl" ?>
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+ xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+ xmlns:jaxb="http://java.sun.com/xml/ns/jaxb" jaxb:version="2.0"
+ targetNamespace="cansas1d/1.0" xmlns:tns="cansas1d/1.0"
+ elementFormDefault="qualified">
+
+<!--
+Copyright (c) 2013, UChicago Argonne, LLC
+This file is distributed subject to a Software License Agreement found
+in the file LICENSE that is included with this distribution.
+ -->
+
+<!-- JAXB: http://java.sun.com/developer/technicalArticles/WebServices/jaxb/ -->
+
+ <complexType name="floatUnitType">
+ <simpleContent>
+ <extension base="string">
+ <attribute name="unit" type="string" use="required" />
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <complexType name="IdataType">
+ <xsd:choice>
+ <sequence>
+ <element name="Q" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:choice>
+ <!-- [ [Qdev] | [[dQw] | [dQl]] ] -->
+ <element name="Qdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:sequence>
+ <element name="dQw" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="dQl" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ </xsd:sequence>
+ </xsd:choice>
+ <element name="Qmean" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Shadowfactor" minOccurs="0" maxOccurs="1" type="string" default="1.0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" namespace="##other" />
+ </sequence>
+ <sequence>
+ <element name="Qx" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Qy" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Qydev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Qxdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Mask" minOccurs="0" maxOccurs="1" type="string" default="0" />
+ </sequence>
+ </xsd:choice>
+ </complexType>
+
+ <complexType name="SASdataType">
+ <sequence minOccurs="1" maxOccurs="1"> <!-- http://svn.cansas.org/trac/ticket/21 -->
+ <sequence>
+ <element name="Idata" minOccurs="1" maxOccurs="unbounded" type="tns:IdataType" />
+ </sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="timestamp" type="dateTime" use="optional" />
+ <attribute name="x_bins" type="string" use="optional" />
+ <attribute name="y_bins" type="string" use="optional" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASentryType">
+ <sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" />
+ <element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax">
+ <!-- Is a second *any* element needed here? -->
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Any when using JAXB -->
+ <jaxb:property name="SASentryAny2" />
+ </appinfo>
+ </annotation>
+ </xsd:any>
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASrootType">
+ <sequence>
+ <element name="SASentry" minOccurs="1" maxOccurs="unbounded" type="tns:SASentryType" />
+ </sequence>
+ <attribute name="version" type="string" fixed="1.0" use="optional" />
+ </complexType>
+
+ <element name="SASroot" type="tns:SASrootType" />
+
+</schema>
diff --git a/src/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_1.xsd b/src/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_1.xsd
new file mode 100644
index 0000000..914caed
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/schema/cansas1d_invalid_v1_1.xsd
@@ -0,0 +1,98 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="xsd-documentation.xsl" ?>
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+ xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+ xmlns:jaxb="http://java.sun.com/xml/ns/jaxb" jaxb:version="2.0"
+ targetNamespace="urn:cansas1d:1.1" xmlns:tns="urn:cansas1d:1.1"
+ elementFormDefault="qualified">
+
+<!--
+Copyright (c) 2013, UChicago Argonne, LLC
+This file is distributed subject to a Software License Agreement found
+in the file LICENSE that is included with this distribution.
+ -->
+
+<!-- JAXB: http://java.sun.com/developer/technicalArticles/WebServices/jaxb/ -->
+
+ <complexType name="floatUnitType">
+ <simpleContent>
+ <extension base="string">
+ <attribute name="unit" type="string" use="required" />
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <complexType name="IdataType">
+ <xsd:choice>
+ <sequence>
+ <element name="Q" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:choice>
+ <!-- [ [Qdev] | [[dQw] | [dQl]] ] -->
+ <element name="Qdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:sequence>
+ <element name="dQw" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="dQl" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ </xsd:sequence>
+ </xsd:choice>
+ <element name="Qmean" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Shadowfactor" minOccurs="0" maxOccurs="1" type="string" default="1.0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" namespace="##other" />
+ </sequence>
+ <sequence>
+ <element name="Qx" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Qy" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Qydev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Qxdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Mask" minOccurs="0" maxOccurs="1" type="string" default="0" />
+ </sequence>
+ </xsd:choice>
+ </complexType>
+
+ <complexType name="SASdataType">
+ <sequence minOccurs="1" maxOccurs="1"> <!-- http://svn.cansas.org/trac/ticket/21 -->
+ <sequence>
+ <element name="Idata" minOccurs="1" maxOccurs="unbounded" type="tns:IdataType" />
+ </sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="timestamp" type="dateTime" use="optional" />
+ <attribute name="x_bins" type="string" use="optional" />
+ <attribute name="y_bins" type="string" use="optional" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASentryType">
+ <sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" />
+ <element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax">
+ <!-- Is a second *any* element needed here? -->
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Any when using JAXB -->
+ <jaxb:property name="SASentryAny2" />
+ </appinfo>
+ </annotation>
+ </xsd:any>
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASrootType">
+ <sequence>
+ <element name="SASentry" minOccurs="1" maxOccurs="unbounded" type="tns:SASentryType" />
+ </sequence>
+ <attribute name="version" type="string" fixed="1.1" use="optional" />
+ </complexType>
+
+ <element name="SASroot" type="tns:SASrootType" />
+
+</schema>
diff --git a/src/sas/sascalc/dataloader/readers/schema/cansas1d_v1_0.xsd b/src/sas/sascalc/dataloader/readers/schema/cansas1d_v1_0.xsd
new file mode 100644
index 0000000..78244a8
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/schema/cansas1d_v1_0.xsd
@@ -0,0 +1,238 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="xsd-documentation.xsl" ?>
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+ xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+ xmlns:jaxb="http://java.sun.com/xml/ns/jaxb" jaxb:version="2.0"
+ targetNamespace="cansas1d/1.0" xmlns:tns="cansas1d/1.0"
+ elementFormDefault="qualified">
+
+<!-- JAXB: http://java.sun.com/developer/technicalArticles/WebServices/jaxb/ -->
+
+ <complexType name="floatUnitType">
+ <simpleContent>
+ <extension base="float">
+ <attribute name="unit" type="string" use="required" />
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <group name="positionGroup">
+ <sequence>
+ <element name="x" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="y" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="z" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="positionType">
+ <group ref="tns:positionGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <group name="orientationGroup">
+ <sequence>
+ <element name="roll" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="pitch" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="yaw" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="orientationType">
+ <group ref="tns:orientationGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="IdataType">
+ <sequence>
+ <element name="Q" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:choice>
+ <!-- [ [Qdev] | [[dQw] | [dQl]] ] -->
+ <element name="Qdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:sequence>
+ <element name="dQw" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="dQl" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ </xsd:sequence>
+ </xsd:choice>
+ <element name="Qmean" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Shadowfactor" minOccurs="0" maxOccurs="1" type="float" default="1.0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASdataType">
+ <sequence>
+ <element name="Idata" minOccurs="1" maxOccurs="unbounded" type="tns:IdataType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsampleType">
+ <sequence>
+ <element name="ID" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="thickness" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="transmission" minOccurs="0" maxOccurs="1" type="float" />
+ <element name="temperature" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="position" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="details" minOccurs="0" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="termType">
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="unit" type="string" use="optional"/>
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASprocessType">
+ <annotation>
+ <appinfo>
+ <!-- JAXB: simplify class name -->
+ <jaxb:property name="SASprocess" />
+ </appinfo>
+ </annotation>
+ <sequence>
+ <element name="name" minOccurs="0" maxOccurs="1"
+ type="string" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessName" />
+ </appinfo>
+ </annotation>
+ </element>
+ <element name="date" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="description" minOccurs="0" maxOccurs="1" />
+ <element name="term" minOccurs="0" maxOccurs="unbounded" type="tns:termType" />
+ <element name="SASprocessnote" minOccurs="1" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessNameAttr" />
+ </appinfo>
+ </annotation>
+ </attribute>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsourceType">
+ <sequence>
+ <element name="radiation" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="beam_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="beam_shape" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="wavelength" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_min" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_max" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_spread" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SAScollimationType">
+ <sequence>
+ <element name="length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="aperture" minOccurs="0"
+ maxOccurs="unbounded">
+ <complexType>
+ <sequence>
+ <element name="size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="distance" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="type" type="string" use="optional" default="" />
+ </complexType>
+ </element>
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SASdetectorType">
+ <sequence>
+ <element name="name" minOccurs="1" maxOccurs="1" type="string" default=""/>
+ <element name="SDD" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="offset" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="beam_center" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="pixel_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="slit_length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASinstrumentType">
+ <sequence>
+ <element name="name" type="string" minOccurs="1" maxOccurs="1" default="" />
+ <element name="SASsource" type="tns:SASsourceType" minOccurs="1" maxOccurs="1" />
+ <element name="SAScollimation" type="tns:SAScollimationType" minOccurs="1" maxOccurs="unbounded" />
+ <element name="SASdetector" type="tns:SASdetectorType" minOccurs="1" maxOccurs="unbounded" />
+ </sequence>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASentryType">
+ <sequence>
+ <element name="Title" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="Run" minOccurs="1" maxOccurs="unbounded">
+ <xsd:complexType>
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ </extension>
+ </simpleContent>
+ </xsd:complexType>
+ </element>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ <element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other">
+ <!-- Is a second *any* element needed here? -->
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Any when using JAXB -->
+ <jaxb:property name="SASentryAny2" />
+ </appinfo>
+ </annotation>
+ </xsd:any>
+ <element name="SASsample" type="tns:SASsampleType" />
+ <element name="SASinstrument" type="tns:SASinstrumentType" minOccurs="1" maxOccurs="1" />
+ <element name="SASprocess" type="tns:SASprocessType" minOccurs="0" maxOccurs="unbounded" />
+ <element name="SASnote" minOccurs="1" maxOccurs="unbounded" />
+ <!-- SASnote is a free-form element.
+ Do not define any content for it or it will become restrictive.
+ -->
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASrootType">
+ <sequence>
+ <element name="SASentry" minOccurs="1" maxOccurs="unbounded" type="tns:SASentryType" />
+ </sequence>
+ <attribute name="version" type="string" fixed="1.0" use="required" />
+ </complexType>
+
+ <element name="SASroot" type="tns:SASrootType" />
+
+</schema>
\ No newline at end of file
diff --git a/src/sas/sascalc/dataloader/readers/schema/cansas1d_v1_1.xsd b/src/sas/sascalc/dataloader/readers/schema/cansas1d_v1_1.xsd
new file mode 100644
index 0000000..c376e59
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/schema/cansas1d_v1_1.xsd
@@ -0,0 +1,271 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="xsd-documentation.xsl" ?>
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+ xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+ xmlns:jaxb="http://java.sun.com/xml/ns/jaxb" jaxb:version="2.0"
+ targetNamespace="urn:cansas1d:1.1" xmlns:tns="urn:cansas1d:1.1"
+ elementFormDefault="qualified">
+
+<!--
+Copyright (c) 2013, UChicago Argonne, LLC
+This file is distributed subject to a Software License Agreement found
+in the file LICENSE that is included with this distribution.
+ -->
+
+<!-- JAXB: http://java.sun.com/developer/technicalArticles/WebServices/jaxb/ -->
+
+ <complexType name="floatUnitType">
+ <simpleContent>
+ <extension base="float">
+ <attribute name="unit" type="string" use="required" />
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <group name="positionGroup">
+ <sequence>
+ <element name="x" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="y" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="z" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="positionType">
+ <group ref="tns:positionGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <group name="orientationGroup">
+ <sequence>
+ <element name="roll" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="pitch" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="yaw" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="orientationType">
+ <group ref="tns:orientationGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="IdataType">
+ <sequence>
+ <element name="Q" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:choice>
+ <!-- [ [Qdev] | [[dQw] | [dQl]] ] -->
+ <element name="Qdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:sequence>
+ <element name="dQw" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="dQl" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ </xsd:sequence>
+ </xsd:choice>
+ <element name="Qmean" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Shadowfactor" minOccurs="0" maxOccurs="1" type="float" default="1.0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASdataType">
+ <sequence minOccurs="1" maxOccurs="1"> <!-- http://svn.cansas.org/trac/ticket/21 -->
+ <sequence>
+ <element name="Idata" minOccurs="1" maxOccurs="unbounded" type="tns:IdataType" />
+ </sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="timestamp" type="dateTime" use="optional" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="TdataType">
+ <sequence>
+ <element name="Lambda" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="T" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Tdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SAStransmission_spectrumType">
+ <sequence minOccurs="1" maxOccurs="1">
+ <sequence minOccurs="1" maxOccurs="1">
+ <element name="Tdata" minOccurs="1" maxOccurs="unbounded" type="tns:TdataType" />
+ </sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="timestamp" type="dateTime" use="optional" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsampleType">
+ <sequence>
+ <element name="ID" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="thickness" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="transmission" minOccurs="0" maxOccurs="1" type="float" />
+ <element name="temperature" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="position" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="details" minOccurs="0" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="termType">
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="unit" type="string" use="optional"/>
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASprocessType">
+ <annotation>
+ <appinfo>
+ <!-- JAXB: simplify class name -->
+ <jaxb:property name="SASprocess" />
+ </appinfo>
+ </annotation>
+ <sequence>
+ <element name="name" minOccurs="0" maxOccurs="1"
+ type="string" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessName" />
+ </appinfo>
+ </annotation>
+ </element>
+ <element name="date" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="description" minOccurs="0" maxOccurs="1" />
+ <element name="term" minOccurs="0" maxOccurs="unbounded" type="tns:termType" />
+ <element name="SASprocessnote" minOccurs="1" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessNameAttr" />
+ </appinfo>
+ </annotation>
+ </attribute>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsourceType">
+ <sequence>
+ <element name="radiation" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="beam_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="beam_shape" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="wavelength" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_min" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_max" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_spread" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SAScollimationType">
+ <sequence>
+ <element name="length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="aperture" minOccurs="0"
+ maxOccurs="unbounded">
+ <complexType>
+ <sequence>
+ <element name="size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="distance" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="type" type="string" use="optional" default="" />
+ </complexType>
+ </element>
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SASdetectorType">
+ <sequence>
+ <element name="name" minOccurs="1" maxOccurs="1" type="string" default=""/>
+ <element name="SDD" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="offset" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="beam_center" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="pixel_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="slit_length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASinstrumentType">
+ <sequence>
+ <element name="name" type="string" minOccurs="1" maxOccurs="1" default="" />
+ <element name="SASsource" type="tns:SASsourceType" minOccurs="1" maxOccurs="1" />
+ <element name="SAScollimation" type="tns:SAScollimationType" minOccurs="1" maxOccurs="unbounded" />
+ <element name="SASdetector" type="tns:SASdetectorType" minOccurs="1" maxOccurs="unbounded" />
+ </sequence>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASentryType">
+ <sequence>
+ <element name="Title" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="Run" minOccurs="1" maxOccurs="unbounded">
+ <xsd:complexType>
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ </extension>
+ </simpleContent>
+ </xsd:complexType>
+ </element>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ <element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />
+ <element name="SAStransmission_spectrum" minOccurs="0" maxOccurs="unbounded" type="tns:SAStransmission_spectrumType"/>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other">
+ <!-- Is a second *any* element needed here? -->
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Any when using JAXB -->
+ <jaxb:property name="SASentryAny2" />
+ </appinfo>
+ </annotation>
+ </xsd:any>
+ <element name="SASsample" type="tns:SASsampleType" />
+ <element name="SASinstrument" type="tns:SASinstrumentType" minOccurs="1" maxOccurs="1" />
+ <element name="SASprocess" type="tns:SASprocessType" minOccurs="0" maxOccurs="unbounded" />
+ <element name="SASnote" minOccurs="1" maxOccurs="unbounded" />
+ <!-- SASnote is a free-form element.
+ Do not define any content for it or it will become restrictive.
+ -->
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASrootType">
+ <sequence>
+ <element name="SASentry" minOccurs="1" maxOccurs="unbounded" type="tns:SASentryType" />
+ </sequence>
+ <attribute name="version" type="string" fixed="1.1" use="required" />
+ </complexType>
+
+ <element name="SASroot" type="tns:SASrootType" />
+
+</schema>
diff --git a/src/sas/sascalc/dataloader/readers/sesans_reader.py b/src/sas/sascalc/dataloader/readers/sesans_reader.py
new file mode 100644
index 0000000..c5e2bcd
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/sesans_reader.py
@@ -0,0 +1,174 @@
+"""
+ SESANS reader (based on ASCII reader)
+
+ Reader for .ses or .sesans file format
+
+ Jurrian Bakker
+"""
+import numpy
+import os
+from sas.sascalc.dataloader.data_info import Data1D
+
+# Check whether we have a converter available
+has_converter = True
+try:
+ from sas.sascalc.data_util.nxsunit import Converter
+except:
+ has_converter = False
+_ZERO = 1e-16
+
+class Reader:
+ """
+ Class to load sesans files (6 columns).
+ """
+ ## File type
+ type_name = "SESANS"
+
+ ## Wildcards
+ type = ["SESANS files (*.ses)|*.ses",
+ "SESANS files (*..sesans)|*.sesans"]
+ ## List of allowed extensions
+ ext = ['.ses', '.SES', '.sesans', '.SESANS']
+
+ ## Flag to bypass extension check
+ allow_all = True
+
+ def read(self, path):
+
+# print "reader triggered"
+
+ """
+ Load data file
+
+ :param path: file path
+
+ :return: SESANSData1D object, or None
+
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+ """
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ _, extension = os.path.splitext(basename)
+ if self.allow_all or extension.lower() in self.ext:
+ try:
+ # Read in binary mode since GRASP frequently has no-ascii
+ # characters that brakes the open operation
+ input_f = open(path,'rb')
+ except:
+ raise RuntimeError, "sesans_reader: cannot open %s" % path
+ buff = input_f.read()
+ lines = buff.splitlines()
+ x = numpy.zeros(0)
+ y = numpy.zeros(0)
+ dy = numpy.zeros(0)
+ lam = numpy.zeros(0)
+ dlam = numpy.zeros(0)
+ dx = numpy.zeros(0)
+
+ #temp. space to sort data
+ tx = numpy.zeros(0)
+ ty = numpy.zeros(0)
+ tdy = numpy.zeros(0)
+ tlam = numpy.zeros(0)
+ tdlam = numpy.zeros(0)
+ tdx = numpy.zeros(0)
+ output = Data1D(x=x, y=y, lam=lam, dy=dy, dx=dx, dlam=dlam, isSesans=True)
+ self.filename = output.filename = basename
+
+ paramnames=[]
+ paramvals=[]
+ zvals=[]
+ dzvals=[]
+ lamvals=[]
+ dlamvals=[]
+ Pvals=[]
+ dPvals=[]
+
+ for line in lines:
+ # Initial try for CSV (split on ,)
+ line=line.strip()
+ toks = line.split('\t')
+ if len(toks)==2:
+ paramnames.append(toks[0])
+ paramvals.append(toks[1])
+ if len(toks)>5:
+ zvals.append(toks[0])
+ dzvals.append(toks[3])
+ lamvals.append(toks[4])
+ dlamvals.append(toks[5])
+ Pvals.append(toks[1])
+ dPvals.append(toks[2])
+ else:
+ continue
+
+ x=[]
+ y=[]
+ lam=[]
+ dx=[]
+ dy=[]
+ dlam=[]
+ lam_header = lamvals[0].split()
+ data_conv_z = None
+ default_z_unit = "A"
+ data_conv_P = None
+ default_p_unit = " " # Adjust unit for axis (L^-3)
+ lam_unit = lam_header[1].replace("[","").replace("]","")
+ if lam_unit == 'AA':
+ lam_unit = 'A'
+ varheader=[zvals[0],dzvals[0],lamvals[0],dlamvals[0],Pvals[0],dPvals[0]]
+ valrange=range(1, len(zvals))
+ for i in valrange:
+ x.append(float(zvals[i]))
+ y.append(float(Pvals[i]))
+ lam.append(float(lamvals[i]))
+ dy.append(float(dPvals[i]))
+ dx.append(float(dzvals[i]))
+ dlam.append(float(dlamvals[i]))
+
+ x,y,lam,dy,dx,dlam = [
+ numpy.asarray(v, 'double')
+ for v in (x,y,lam,dy,dx,dlam)
+ ]
+
+ input_f.close()
+
+ output.x, output.x_unit = self._unit_conversion(x, lam_unit, default_z_unit)
+ output.y = y
+ output.y_unit = r'\AA^{-2} cm^{-1}' # output y_unit added
+ output.dx, output.dx_unit = self._unit_conversion(dx, lam_unit, default_z_unit)
+ output.dy = dy
+ output.lam, output.lam_unit = self._unit_conversion(lam, lam_unit, default_z_unit)
+ output.dlam, output.dlam_unit = self._unit_conversion(dlam, lam_unit, default_z_unit)
+
+ output.xaxis(r"\rm{z}", output.x_unit)
+ output.yaxis(r"\rm{ln(P)/(t \lambda^2)}", output.y_unit) # Adjust label to ln P/(lam^2 t), remove lam column refs
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ #output.sample.thickness = float(paramvals[6])
+ output.sample.name = paramvals[1]
+ output.sample.ID = paramvals[0]
+ zaccept_unit_split = paramnames[7].split("[")
+ zaccept_unit = zaccept_unit_split[1].replace("]","")
+ if zaccept_unit.strip() == r'\AA^-1' or zaccept_unit.strip() == r'\A^-1':
+ zaccept_unit = "1/A"
+ output.sample.zacceptance=(float(paramvals[7]),zaccept_unit)
+ output.vars = varheader
+
+ if len(output.x) < 1:
+ raise RuntimeError, "%s is empty" % path
+ return output
+
+ else:
+ raise RuntimeError, "%s is not a file" % path
+ return None
+
+ def _unit_conversion(self, value, value_unit, default_unit):
+ if has_converter == True and value_unit != default_unit:
+ data_conv_q = Converter(value_unit)
+ value = data_conv_q(value, units=default_unit)
+ new_unit = default_unit
+ else:
+ new_unit = value_unit
+ return value, new_unit
\ No newline at end of file
diff --git a/src/sas/sascalc/dataloader/readers/tiff_reader.py b/src/sas/sascalc/dataloader/readers/tiff_reader.py
new file mode 100644
index 0000000..1b9b020
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/tiff_reader.py
@@ -0,0 +1,106 @@
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2008, University of Tennessee
+######################################################################
+"""
+ Image reader. Untested.
+"""
+#TODO: load and check data and orientation of the image (needs rendering)
+import math
+import logging
+import os
+import numpy
+from sas.sascalc.dataloader.data_info import Data2D
+from sas.sascalc.dataloader.manipulations import reader2D_converter
+
+class Reader:
+ """
+ Example data manipulation
+ """
+ ## File type
+ type_name = "TIF"
+ ## Wildcards
+ type = ["TIF files (*.tif)|*.tif",
+ "TIFF files (*.tiff)|*.tiff",
+ ]
+ ## Extension
+ ext = ['.tif', '.tiff']
+
+ def read(self, filename=None):
+ """
+ Open and read the data in a file
+
+ :param file: path of the file
+ """
+ try:
+ import Image
+ import TiffImagePlugin
+ Image._initialized=2
+ except:
+ msg = "tiff_reader: could not load file. Missing Image module."
+ raise RuntimeError, msg
+
+ # Instantiate data object
+ output = Data2D()
+ output.filename = os.path.basename(filename)
+
+ # Read in the image
+ try:
+ im = Image.open(filename)
+ except:
+ raise RuntimeError, "cannot open %s"%(filename)
+ data = im.getdata()
+
+ # Initiazed the output data object
+ output.data = numpy.zeros([im.size[0], im.size[1]])
+ output.err_data = numpy.zeros([im.size[0], im.size[1]])
+ output.mask = numpy.ones([im.size[0], im.size[1]], dtype=bool)
+
+ # Initialize
+ x_vals = []
+ y_vals = []
+
+ # x and y vectors
+ for i_x in range(im.size[0]):
+ x_vals.append(i_x)
+
+ itot = 0
+ for i_y in range(im.size[1]):
+ y_vals.append(i_y)
+
+ for val in data:
+ try:
+ value = float(val)
+ except:
+ logging.error("tiff_reader: had to skip a non-float point")
+ continue
+
+ # Get bin number
+ if math.fmod(itot, im.size[0]) == 0:
+ i_x = 0
+ i_y += 1
+ else:
+ i_x += 1
+
+ output.data[im.size[1] - 1 - i_y][i_x] = value
+
+ itot += 1
+
+ output.xbins = im.size[0]
+ output.ybins = im.size[1]
+ output.x_bins = x_vals
+ output.y_bins = y_vals
+ output.qx_data = numpy.array(x_vals)
+ output.qy_data = numpy.array(y_vals)
+ output.xmin = 0
+ output.xmax = im.size[0] - 1
+ output.ymin = 0
+ output.ymax = im.size[0] - 1
+
+ # Store loading process information
+ output.meta_data['loader'] = self.type_name
+ output = reader2D_converter(output)
+ return output
diff --git a/src/sas/sascalc/dataloader/readers/xml_reader.py b/src/sas/sascalc/dataloader/readers/xml_reader.py
new file mode 100644
index 0000000..20f4e60
--- /dev/null
+++ b/src/sas/sascalc/dataloader/readers/xml_reader.py
@@ -0,0 +1,306 @@
+"""
+ Generic XML read and write utility
+
+ Usage: Either extend xml_reader or add as a class variable.
+"""
+############################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#If you use DANSE applications to do scientific research that leads to
+#publication, we ask that you acknowledge the use of the software with the
+#following sentence:
+#This work benefited from DANSE software developed under NSF award DMR-0520547.
+#copyright 2008,2009 University of Tennessee
+#############################################################################
+
+import logging
+from lxml import etree
+from lxml.builder import E
+
+PARSER = etree.ETCompatXMLParser(remove_comments=True, remove_pis=False)
+
+class XMLreader():
+ """
+ Generic XML read and write class. Mostly helper functions.
+ Makes reading/writing XML a bit easier than calling lxml libraries directly.
+
+ :Dependencies:
+ This class requires lxml 2.3 or higher.
+ """
+
+ xml = None
+ xmldoc = None
+ xmlroot = None
+ schema = None
+ schemadoc = None
+ encoding = None
+ processing_instructions = None
+
+ def __init__(self, xml=None, schema=None):
+ self.xml = xml
+ self.schema = schema
+ self.processing_instructions = {}
+ if xml is not None:
+ self.set_xml_file(xml)
+ else:
+ self.xmldoc = None
+ self.xmlroot = None
+ if schema is not None:
+ self.set_schema(schema)
+ else:
+ self.schemadoc = None
+
+ def reader(self):
+ """
+ Read in an XML file into memory and return an lxml dictionary
+ """
+ if self.validate_xml():
+ self.xmldoc = etree.parse(self.xml, parser=PARSER)
+ else:
+ raise etree.XMLSchemaValidateError(self, self.find_invalid_xml())
+ return self.xmldoc
+
+ def set_xml_file(self, xml):
+ """
+ Set the XML file and parse
+ """
+ try:
+ self.xml = xml
+ self.xmldoc = etree.parse(self.xml, parser=PARSER)
+ self.xmlroot = self.xmldoc.getroot()
+ except etree.XMLSyntaxError as xml_error:
+ logging.info(xml_error)
+ except Exception:
+ self.xml = None
+ self.xmldoc = None
+ self.xmlroot = None
+
+ def set_xml_string(self, tag_soup):
+ """
+ Set an XML string as the working XML.
+
+ :param tag_soup: XML formatted string
+ """
+ try:
+ self.xml = tag_soup
+ self.xmldoc = tag_soup
+ self.xmlroot = etree.fromstring(tag_soup)
+ except etree.XMLSyntaxError as xml_error:
+ logging.info(xml_error)
+ except Exception:
+ self.xml = None
+ self.xmldoc = None
+ self.xmlroot = None
+
+ def set_schema(self, schema):
+ """
+ Set the schema file and parse
+ """
+ try:
+ self.schema = schema
+ self.schemadoc = etree.parse(self.schema, parser=PARSER)
+ except etree.XMLSyntaxError as xml_error:
+ logging.info(xml_error)
+ except Exception:
+ self.schema = None
+ self.schemadoc = None
+
+ def validate_xml(self):
+ """
+ Checks to see if the XML file meets the schema
+ """
+ valid = True
+ if self.schema is not None:
+ self.parse_schema_and_doc()
+ schema_check = etree.XMLSchema(self.schemadoc)
+ valid = schema_check.validate(self.xmldoc)
+ return valid
+
+ def find_invalid_xml(self):
+ """
+ Finds the first offending element that should not be present in XML file
+ """
+ first_error = ""
+ self.parse_schema_and_doc()
+ schema = etree.XMLSchema(self.schemadoc)
+ try:
+ first_error = schema.assertValid(self.xmldoc)
+ except etree.DocumentInvalid as err:
+ # Suppress errors for <'any'> elements
+ if "##other" in str(err):
+ return first_error
+ first_error = str(err)
+ return first_error
+
+ def parse_schema_and_doc(self):
+ """
+ Creates a dictionary of the parsed schema and xml files.
+ """
+ self.set_xml_file(self.xml)
+ self.set_schema(self.schema)
+
+ def to_string(self, elem, pretty_print=False, encoding=None):
+ """
+ Converts an etree element into a string
+ """
+ return etree.tostring(elem, pretty_print=pretty_print, \
+ encoding=encoding)
+
+ def break_processing_instructions(self, string, dic):
+ """
+ Method to break a processing instruction string apart and add to a dict
+
+ :param string: A processing instruction as a string
+ :param dic: The dictionary to save the PIs to
+ """
+ pi_string = string.replace("<?", "").replace("?>", "")
+ split = pi_string.split(" ", 1)
+ pi_name = split[0]
+ attr = split[1]
+ new_pi_name = self._create_unique_key(dic, pi_name)
+ dic[new_pi_name] = attr
+ return dic
+
+ def set_processing_instructions(self):
+ """
+ Take out all processing instructions and create a dictionary from them
+ If there is a default encoding, the value is also saved
+ """
+ dic = {}
+ proc_instr = self.xmlroot.getprevious()
+ while proc_instr is not None:
+ pi_string = self.to_string(proc_instr)
+ if "?>\n<?" in pi_string:
+ pi_string = pi_string.split("?>\n<?")
+ if isinstance(pi_string, str):
+ dic = self.break_processing_instructions(pi_string, dic)
+ elif isinstance(pi_string, list):
+ for item in pi_string:
+ dic = self.break_processing_instructions(item, dic)
+ proc_instr = proc_instr.getprevious()
+ if 'xml' in dic:
+ self.set_encoding(dic['xml'])
+ del dic['xml']
+ self.processing_instructions = dic
+
+ def set_encoding(self, attr_str):
+ """
+ Find the encoding in the xml declaration and save it as a string
+
+ :param attr_str: All attributes as a string
+ e.g. "foo1="bar1" foo2="bar2" foo3="bar3" ... foo_n="bar_n""
+ """
+ attr_str = attr_str.replace(" = ", "=")
+ attr_list = attr_str.split()
+ for item in attr_list:
+ name_value = item.split("\"=")
+ name = name_value[0].lower()
+ value = name_value[1]
+ if name == "encoding":
+ self.encoding = value
+ return
+ self.encoding = None
+
+ def _create_unique_key(self, dictionary, name, numb=0):
+ """
+ Create a unique key value for any dictionary to prevent overwriting
+ Recurses until a unique key value is found.
+
+ :param dictionary: A dictionary with any number of entries
+ :param name: The index of the item to be added to dictionary
+ :param numb: The number to be appended to the name, starts at 0
+ """
+ if dictionary.get(name) is not None:
+ numb += 1
+ name = name.split("_")[0]
+ name += "_{0}".format(numb)
+ name = self._create_unique_key(dictionary, name, numb)
+ return name
+
+ def create_tree(self, root):
+ """
+ Create an element tree for processing from an etree element
+
+ :param root: etree Element(s)
+ """
+ return etree.ElementTree(root)
+
+ def create_element_from_string(self, xml_string):
+ """
+ Create an element from an XML string
+
+ :param xml_string: A string of xml
+ """
+ return etree.fromstring(xml_string)
+
+ def create_element(self, name, attrib=None, nsmap=None):
+ """
+ Create an XML element for writing to file
+
+ :param name: The name of the element to be created
+ """
+ if attrib == None:
+ attrib = {}
+ return etree.Element(name, attrib, nsmap)
+
+ def write_text(self, elem, text):
+ """
+ Write text to an etree Element
+
+ :param elem: etree.Element object
+ :param text: text to write to the element
+ """
+ elem.text = text
+ return elem
+
+ def write_attribute(self, elem, attr_name, attr_value):
+ """
+ Write attributes to an Element
+
+ :param elem: etree.Element object
+ :param attr_name: attribute name to write
+ :param attr_value: attribute value to set
+ """
+ attr = elem.attrib
+ attr[attr_name] = attr_value
+
+ def return_processing_instructions(self):
+ """
+ Get all processing instructions saved when loading the document
+
+ :param tree: etree.ElementTree object to write PIs to
+ """
+ pi_list = []
+ if self.processing_instructions is not None:
+ for key in self.processing_instructions:
+ value = self.processing_instructions.get(key)
+ pi_item = etree.ProcessingInstruction(key, value)
+ pi_list.append(pi_item)
+ return pi_list
+
+ def append(self, element, tree):
+ """
+ Append an etree Element to an ElementTree.
+
+ :param element: etree Element to append
+ :param tree: ElementTree object to append to
+ """
+ tree = tree.append(element)
+ return tree
+
+ def ebuilder(self, parent, elementname, text=None, attrib=None):
+ """
+ Use lxml E builder class with arbitrary inputs.
+
+ :param parnet: The parent element to append a child to
+ :param elementname: The name of the child in string form
+ :param text: The element text
+ :param attrib: A dictionary of attribute names to attribute values
+ """
+ text = str(text)
+ if attrib == None:
+ attrib = {}
+ elem = E(elementname, attrib, text)
+ parent = parent.append(elem)
+ return parent
\ No newline at end of file
diff --git a/src/sas/sascalc/file_converter/__init__.py b/src/sas/sascalc/file_converter/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/file_converter/bsl_loader.py b/src/sas/sascalc/file_converter/bsl_loader.py
new file mode 100644
index 0000000..f2d7c89
--- /dev/null
+++ b/src/sas/sascalc/file_converter/bsl_loader.py
@@ -0,0 +1,131 @@
+from sas.sascalc.file_converter.core.bsl_loader import CLoader
+from sas.sascalc.dataloader.data_info import Data2D
+from copy import deepcopy
+import os
+import numpy as np
+
+class BSLParsingError(Exception):
+ pass
+
+class BSLLoader(CLoader):
+ """
+ Loads 2D SAS data from a BSL file.
+ CLoader is a C extension (found in c_ext/bsl_loader.c)
+
+ See http://www.diamond.ac.uk/Beamlines/Soft-Condensed-Matter/small-angle/SAXS-Software/CCP13/BSL.html
+ for more info on the BSL file format.
+ """
+
+ def __init__(self, filename):
+ """
+ Parses the BSL header file and sets instance variables apropriately
+
+ :param filename: Path to the BSL header file
+ """
+ header_file = open(filename, 'r')
+ data_info = {}
+ is_valid = True
+ err_msg = ""
+
+ [folder, filename] = os.path.split(filename)
+ # SAS data will be in file Xnn001.mdd
+ sasdata_filename = filename.replace('000.', '001.')
+ if sasdata_filename == filename:
+ err_msg = ("Invalid header filename {}.\nShould be of the format "
+ "Xnn000.XXX where X is any alphanumeric character and n is any"
+ " digit.").format(filename)
+ raise BSLParsingError(err_msg)
+
+ # First 2 lines are headers
+ header_file.readline()
+ header_file.readline()
+
+ while True:
+ metadata = header_file.readline().strip()
+ metadata = metadata.split()
+ data_filename = header_file.readline().strip()
+
+ if len(metadata) != 10:
+ is_valid = False
+ err_msg = "Invalid header file: {}".format(filename)
+ break
+
+ if data_filename != sasdata_filename:
+ last_file = (metadata[9] == '0')
+ if last_file: # Reached last file we have metadata for
+ is_valid = False
+ err_msg = "No metadata for {} found in header file: {}"
+ err_msg = err_msg.format(sasdata_filename, filename)
+ break
+ continue
+ try:
+ data_info = {
+ 'filename': os.path.join(folder, data_filename),
+ 'pixels': int(metadata[0]),
+ 'rasters': int(metadata[1]),
+ 'frames': int(metadata[2]),
+ 'swap_bytes': int(metadata[3])
+ }
+ except:
+ is_valid = False
+ err_msg = "Invalid metadata in header file for {}"
+ err_msg = err_msg.format(sasdata_filename)
+ break
+
+ header_file.close()
+ if not is_valid:
+ raise BSLParsingError(err_msg)
+
+ CLoader.__init__(self, data_info['filename'], data_info['frames'],
+ data_info['pixels'], data_info['rasters'], data_info['swap_bytes'])
+
+ def load_frames(self, frames):
+ frame_data = []
+ # Prepare axis values (arbitrary scale)
+ x = self.n_rasters * range(1, self.n_pixels+1)
+ y = [self.n_pixels * [i] for i in range(1, self.n_rasters+1)]
+ y = np.reshape(y, (1, self.n_pixels*self.n_rasters))[0]
+ x_bins = x[:self.n_pixels]
+ y_bins = y[0::self.n_pixels]
+
+ for frame in frames:
+ self.frame = frame
+ raw_frame_data = self.load_data()
+ data2d = Data2D(data=raw_frame_data, qx_data=x, qy_data=y)
+ data2d.x_bins = x_bins
+ data2d.y_bins = y_bins
+ data2d.Q_unit = '' # Using arbitrary units
+ frame_data.append(data2d)
+
+ return frame_data
+
+
+ def __setattr__(self, name, value):
+ if name == 'filename':
+ return self.set_filename(value)
+ elif name == 'n_frames':
+ return self.set_n_frames(value)
+ elif name == 'frame':
+ return self.set_frame(value)
+ elif name == 'n_pixels':
+ return self.set_n_pixels(value)
+ elif name == 'n_rasters':
+ return self.set_n_rasters(value)
+ elif name == 'swap_bytes':
+ return self.set_swap_bytes(value)
+ return CLoader.__setattr__(self, name, value)
+
+ def __getattr__(self, name):
+ if name == 'filename':
+ return self.get_filename()
+ elif name == 'n_frames':
+ return self.get_n_frames()
+ elif name == 'frame':
+ return self.get_frame()
+ elif name == 'n_pixels':
+ return self.get_n_pixels()
+ elif name == 'n_rasters':
+ return self.get_n_rasters()
+ elif name == 'swap_bytes':
+ return self.get_swap_bytes()
+ return CLoader.__getattr__(self, name)
diff --git a/src/sas/sascalc/file_converter/c_ext/__init__.py b/src/sas/sascalc/file_converter/c_ext/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/file_converter/c_ext/bsl_loader.c b/src/sas/sascalc/file_converter/c_ext/bsl_loader.c
new file mode 100644
index 0000000..7db5b08
--- /dev/null
+++ b/src/sas/sascalc/file_converter/c_ext/bsl_loader.c
@@ -0,0 +1,292 @@
+#include <Python.h>
+//#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION
+#include <numpy/arrayobject.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include "structmember.h"
+#include "bsl_loader.h"
+
+typedef struct {
+ PyObject_HEAD
+ CLoader_params params;
+} CLoader;
+
+static PyObject *CLoader_new(PyTypeObject *type, PyObject *args, PyObject *kwds) {
+ CLoader *self;
+
+ self = (CLoader *)type->tp_alloc(type, 0);
+
+ return (PyObject *)self;
+}
+
+static PyObject *CLoader_init(CLoader *self, PyObject *args, PyObject *kwds) {
+ const char *filename;
+ int n_frames;
+ int n_pixels;
+ int n_rasters;
+ int swap_bytes;
+
+ if (self != NULL) {
+ if (!PyArg_ParseTuple(args, "siiii", &filename, &n_frames, &n_pixels, &n_rasters, &swap_bytes))
+ Py_RETURN_NONE;
+ if (!(self->params.filename = malloc(strlen(filename) + 1)))
+ Py_RETURN_NONE;
+ strcpy(self->params.filename, filename);
+ self->params.n_frames = n_frames;
+ self->params.n_pixels = n_pixels;
+ self->params.n_rasters = n_rasters;
+ self->params.swap_bytes = swap_bytes;
+ }
+
+ return 0;
+}
+
+static void CLoader_dealloc(CLoader *self) {
+ free(self->params.filename);
+ self->ob_type->tp_free((PyObject *)self);
+}
+
+static PyObject *to_string(CLoader *self, PyObject *params) {
+ char str[100];
+ sprintf(str,
+ "Filename: %s\nn_frames: %d\nframe: %d\nn_pixels: %d\nn_rasters: %d\nswap_bytes: %d",
+ self->params.filename,
+ self->params.n_frames,
+ self->params.frame,
+ self->params.n_pixels,
+ self->params.n_rasters,
+ self->params.swap_bytes);
+ return Py_BuildValue("s", str);
+}
+
+/* ----- Setters and Getters ----- */
+
+static PyObject *get_filename(CLoader *self, PyObject *args) {
+ return Py_BuildValue("s", self->params.filename);
+}
+
+static PyObject *set_filename(CLoader *self, PyObject *args) {
+ const char *new_filename;
+ if (!PyArg_ParseTuple(args, "s", &new_filename))
+ return NULL;
+ strcpy(self->params.filename, new_filename);
+
+ return Py_BuildValue("s", self->params.filename);
+}
+
+static PyObject *get_n_frames(CLoader *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.n_frames);
+}
+
+static PyObject *set_n_frames(CLoader *self, PyObject *args) {
+ int new_frames;
+ if (!PyArg_ParseTuple(args, "i", &new_frames))
+ return NULL;
+ self->params.n_frames = new_frames;
+
+ return Py_BuildValue("i", self->params.n_frames);
+}
+
+static PyObject *get_frame(CLoader *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.frame);
+}
+
+static PyObject *set_frame(CLoader *self, PyObject *args) {
+ int new_frame;
+ if (!PyArg_ParseTuple(args, "i", &new_frame))
+ return NULL;
+ self->params.frame = new_frame;
+
+ return Py_BuildValue("i", self->params.frame);
+}
+
+static PyObject *get_n_pixels(CLoader *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.n_pixels);
+}
+
+static PyObject *set_n_pixels(CLoader *self, PyObject *args) {
+ int new_pixels;
+ if (!PyArg_ParseTuple(args, "i", &new_pixels))
+ return NULL;
+ self->params.n_pixels = new_pixels;
+
+ return Py_BuildValue("i", self->params.n_pixels);
+}
+
+static PyObject *get_n_rasters(CLoader *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.n_rasters);
+}
+
+static PyObject *set_n_rasters(CLoader *self, PyObject *args) {
+ int new_rasters;
+ if (!PyArg_ParseTuple(args, "i", &new_rasters))
+ return NULL;
+ self->params.n_rasters = new_rasters;
+
+ return Py_BuildValue("i", self->params.n_rasters);
+}
+
+static PyObject *get_swap_bytes(CLoader *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.swap_bytes);
+}
+
+static PyObject *set_swap_bytes(CLoader *self, PyObject *args) {
+ int new_swap;
+ if (!PyArg_ParseTuple(args, "i", &new_swap))
+ return NULL;
+ self->params.swap_bytes = new_swap;
+
+ return Py_BuildValue("i", self->params.swap_bytes);
+}
+
+/* ----- Instance Methods ----- */
+
+float reverse_float(const float in_float) {
+ // Reverse the order of the bytes of a float
+ float retval;
+ char *to_convert = (char *)&in_float;
+ char *return_float = (char *)&retval;
+
+ return_float[0] = to_convert[3];
+ return_float[1] = to_convert[2];
+ return_float[2] = to_convert[1];
+ return_float[3] = to_convert[0];
+
+ return retval;
+}
+
+static PyObject *load_data(CLoader *self, PyObject *args) {
+ int raster;
+ int pixel;
+ int frame_pos;
+ npy_intp size[2] = {self->params.n_rasters, self->params.n_pixels};
+ float cur_val;
+ FILE *input_file;
+ PyArrayObject *data;
+
+ // Create a new numpy array to store the data in
+ data = (PyArrayObject *)PyArray_SimpleNew(2, size, NPY_FLOAT);
+
+ // Attempt to open the file specified
+ input_file = fopen(self->params.filename, "rb");
+ if (!input_file) {
+ // BSL filenames are 10 characters long
+ // Filename validity checked in bsl_loader.py
+ size_t filename_start = strlen(self->params.filename) - 10;
+ char *filename = self->params.filename + filename_start;
+ char *err_msg = (char *)malloc(sizeof(char) * 32);
+
+ sprintf(err_msg, "Unable to open file: %s", filename);
+
+ PyErr_SetString(PyExc_RuntimeError, err_msg);
+ free(err_msg);
+ return NULL;
+ }
+
+ // Move the file cursor the the position where the data we're interested
+ // in begins
+ frame_pos = self->params.n_pixels * self->params.n_rasters * self->params.frame;
+ fseek(input_file, frame_pos*sizeof(float), SEEK_SET);
+
+ for (raster = 0; raster < self->params.n_rasters; raster++) {
+ for (pixel = 0; pixel < self->params.n_pixels; pixel++) {
+ // Try reading the file
+ if (fread(&cur_val, sizeof(float), 1, input_file) == 0) {
+ PyErr_SetString(PyExc_RuntimeError, "Error reading file or EOF reached.");
+ return NULL;
+ }
+
+ // Swap the order of the bytes read, if specified that we should do
+ // so in the header file
+ if (self->params.swap_bytes == 0)
+ cur_val = reverse_float(cur_val);
+
+ // Add the read value to the numpy array
+ PyArray_SETITEM(data, PyArray_GETPTR2(data, raster, pixel), PyFloat_FromDouble(cur_val));
+ }
+ }
+
+ fclose(input_file);
+
+ return Py_BuildValue("N", data);
+}
+
+/* ----- Class Registration ----- */
+
+static PyMethodDef CLoader_methods[] = {
+ { "to_string", (PyCFunction)to_string, METH_VARARGS, "Print the objects params" },
+ { "get_filename", (PyCFunction)get_filename, METH_VARARGS, "Get the filename" },
+ { "set_filename", (PyCFunction)set_filename, METH_VARARGS, "Set the filename" },
+ { "get_n_frames", (PyCFunction)get_n_frames, METH_VARARGS, "Get n_frames" },
+ { "set_n_frames", (PyCFunction)set_n_frames, METH_VARARGS, "Set n_frames" },
+ { "get_frame", (PyCFunction)get_frame, METH_VARARGS, "Get the frame that will be loaded" },
+ { "set_frame", (PyCFunction)set_frame, METH_VARARGS, "Set the frame that will be loaded" },
+ { "get_n_pixels", (PyCFunction)get_n_pixels, METH_VARARGS, "Get n_pixels" },
+ { "set_n_pixels", (PyCFunction)set_n_pixels, METH_VARARGS, "Set n_pixels" },
+ { "get_n_rasters", (PyCFunction)get_n_rasters, METH_VARARGS, "Get n_rasters" },
+ { "set_n_rasters", (PyCFunction)set_n_rasters, METH_VARARGS, "Set n_rasters" },
+ { "get_swap_bytes", (PyCFunction)get_swap_bytes, METH_VARARGS, "Get swap_bytes" },
+ { "set_swap_bytes", (PyCFunction)set_swap_bytes, METH_VARARGS, "Set swap_bytes" },
+ { "load_data", (PyCFunction)load_data, METH_VARARGS, "Load the data into a numpy array" },
+ {NULL}
+};
+
+static PyMemberDef CLoader_members[] = {
+ {NULL}
+};
+
+static PyTypeObject CLoaderType = {
+ PyObject_HEAD_INIT(NULL)
+ 0, /*ob_size*/
+ "CLoader", /*tp_name*/
+ sizeof(CLoader), /*tp_basicsize*/
+ 0, /*tp_itemsize*/
+ (destructor)CLoader_dealloc, /*tp_dealloc*/
+ 0, /*tp_print*/
+ 0, /*tp_getattr*/
+ 0, /*tp_setattr*/
+ 0, /*tp_compare*/
+ 0, /*tp_repr*/
+ 0, /*tp_as_number*/
+ 0, /*tp_as_sequence*/
+ 0, /*tp_as_mapping*/
+ 0, /*tp_hash */
+ 0, /*tp_call*/
+ 0, /*tp_str*/
+ 0, /*tp_getattro*/
+ 0, /*tp_setattro*/
+ 0, /*tp_as_buffer*/
+ Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/
+ "CLoader objects", /* tp_doc */
+ 0, /* tp_traverse */
+ 0, /* tp_clear */
+ 0, /* tp_richcompare */
+ 0, /* tp_weaklistoffset */
+ 0, /* tp_iter */
+ 0, /* tp_iternext */
+ CLoader_methods, /* tp_methods */
+ CLoader_members, /* tp_members */
+ 0, /* tp_getset */
+ 0, /* tp_base */
+ 0, /* tp_dict */
+ 0, /* tp_descr_get */
+ 0, /* tp_descr_set */
+ 0, /* tp_dictoffset */
+ (initproc)CLoader_init, /* tp_init */
+ 0, /* tp_alloc */
+ CLoader_new, /* tp_new */
+};
+
+PyMODINIT_FUNC
+initbsl_loader(void)
+{
+ PyObject *module;
+ module = Py_InitModule("bsl_loader", NULL);
+ import_array();
+
+ if (PyType_Ready(&CLoaderType) < 0)
+ return;
+
+ Py_INCREF(&CLoaderType);
+ PyModule_AddObject(module, "CLoader", (PyObject *)&CLoaderType);
+}
diff --git a/src/sas/sascalc/file_converter/c_ext/bsl_loader.h b/src/sas/sascalc/file_converter/c_ext/bsl_loader.h
new file mode 100644
index 0000000..ca86025
--- /dev/null
+++ b/src/sas/sascalc/file_converter/c_ext/bsl_loader.h
@@ -0,0 +1,19 @@
+#ifndef bsl_loader_h
+#define bsl_loader_h
+
+typedef struct {
+ // File to load
+ char *filename;
+ // Number of frames in the file
+ int n_frames;
+ // Frame to load
+ int frame;
+ // Number of pixels in the file
+ int n_pixels;
+ // Number of rasters in the file
+ int n_rasters;
+ // Whether or not the bytes are in reverse order
+ int swap_bytes;
+} CLoader_params;
+
+#endif
diff --git a/src/sas/sascalc/file_converter/cansas_writer.py b/src/sas/sascalc/file_converter/cansas_writer.py
new file mode 100644
index 0000000..8fd7ab2
--- /dev/null
+++ b/src/sas/sascalc/file_converter/cansas_writer.py
@@ -0,0 +1,109 @@
+from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader
+from sas.sascalc.dataloader.data_info import Data1D
+
+import inspect
+
+class CansasWriter(CansasReader):
+
+ def write(self, filename, frame_data, sasentry_attrs=None):
+ """
+ Write the content of a Data1D as a CanSAS XML file
+
+ :param filename: name of the file to write
+ :param datainfo: Data1D object
+ """
+ # Create XML document
+ doc, _ = self._to_xml_doc(frame_data, sasentry_attrs)
+ # Write the file
+ file_ref = open(filename, 'w')
+ if self.encoding == None:
+ self.encoding = "UTF-8"
+ doc.write(file_ref, encoding=self.encoding,
+ pretty_print=True, xml_declaration=True)
+ file_ref.close()
+
+
+ def _to_xml_doc(self, frame_data, sasentry_attrs=None):
+ """
+ Create an XML document to contain the content of an array of Data1Ds
+
+ :param frame_data: An array of Data1D objects
+ """
+ valid_class = all([issubclass(data.__class__, Data1D) for data in frame_data])
+ if not valid_class:
+ raise RuntimeError, ("The cansas writer expects an array of "
+ "Data1D instances")
+
+ # Get PIs and create root element
+ pi_string = self._get_pi_string()
+ # Define namespaces and create SASroot object
+ main_node = self._create_main_node()
+ # Create ElementTree, append SASroot and apply processing instructions
+ base_string = pi_string + self.to_string(main_node)
+ base_element = self.create_element_from_string(base_string)
+ doc = self.create_tree(base_element)
+ # Create SASentry Element
+ entry_node = self.create_element("SASentry", sasentry_attrs)
+ root = doc.getroot()
+ root.append(entry_node)
+
+ # Use the first element in the array for writing metadata
+ datainfo = frame_data[0]
+ # Add Title to SASentry
+ self.write_node(entry_node, "Title", datainfo.title)
+ # Add Run to SASentry
+ self._write_run_names(datainfo, entry_node)
+ # Add Data info to SASEntry
+ for data_info in frame_data:
+ self._write_data(data_info, entry_node)
+ # Transmission Spectrum Info
+ self._write_trans_spectrum(datainfo, entry_node)
+ # Sample info
+ self._write_sample_info(datainfo, entry_node)
+ # Instrument info
+ instr = self._write_instrument(datainfo, entry_node)
+ # Source
+ self._write_source(datainfo, instr)
+ # Collimation
+ self._write_collimation(datainfo, instr)
+ # Detectors
+ self._write_detectors(datainfo, instr)
+ # Processes info
+ self._write_process_notes(datainfo, entry_node)
+ # Note info
+ self._write_notes(datainfo, entry_node)
+ # Return the document, and the SASentry node associated with
+ # the data we just wrote
+
+ return doc, entry_node
+
+ def _write_data(self, datainfo, entry_node):
+ """
+ Writes the I and Q data to the XML file
+
+ :param datainfo: The Data1D object the information is coming from
+ :param entry_node: lxml node ElementTree object to be appended to
+ """
+ node = self.create_element("SASdata")
+ self.append(node, entry_node)
+
+ for i in range(len(datainfo.x)):
+ point = self.create_element("Idata")
+ node.append(point)
+ self.write_node(point, "Q", datainfo.x[i],
+ {'unit': datainfo.x_unit})
+ if len(datainfo.y) >= i:
+ self.write_node(point, "I", datainfo.y[i],
+ {'unit': datainfo.y_unit})
+ if datainfo.dy != None and len(datainfo.dy) > i:
+ self.write_node(point, "Idev", datainfo.dy[i],
+ {'unit': datainfo.y_unit})
+ if datainfo.dx != None and len(datainfo.dx) > i:
+ self.write_node(point, "Qdev", datainfo.dx[i],
+ {'unit': datainfo.x_unit})
+ if datainfo.dxw != None and len(datainfo.dxw) > i:
+ self.write_node(point, "dQw", datainfo.dxw[i],
+ {'unit': datainfo.x_unit})
+ if datainfo.dxl != None and len(datainfo.dxl) > i:
+ self.write_node(point, "dQl", datainfo.dxl[i],
+ {'unit': datainfo.x_unit})
diff --git a/src/sas/sascalc/file_converter/nxcansas_writer.py b/src/sas/sascalc/file_converter/nxcansas_writer.py
new file mode 100644
index 0000000..ea9da53
--- /dev/null
+++ b/src/sas/sascalc/file_converter/nxcansas_writer.py
@@ -0,0 +1,304 @@
+"""
+ NXcanSAS 1/2D data reader for writing HDF5 formatted NXcanSAS files.
+"""
+
+import h5py
+import numpy as np
+import re
+import os
+
+from sas.sascalc.dataloader.readers.cansas_reader_HDF5 import Reader as Cansas2Reader
+from sas.sascalc.dataloader.data_info import Data1D, Data2D
+
+class NXcanSASWriter(Cansas2Reader):
+ """
+ A class for writing in NXcanSAS data files. Any number of data sets may be
+ written to the file. Currently 1D and 2D SAS data sets are supported
+
+ NXcanSAS spec: http://download.nexusformat.org/sphinx/classes/contributed_definitions/NXcanSAS.html
+
+ :Dependencies:
+ The NXcanSAS writer requires h5py => v2.5.0 or later.
+ """
+
+ def write(self, dataset, filename):
+ """
+ Write an array of Data1d or Data2D objects to an NXcanSAS file, as
+ one SASEntry with multiple SASData elements. The metadata of the first
+ elememt in the array will be written as the SASentry metadata
+ (detector, instrument, sample, etc).
+
+ :param dataset: A list of Data1D or Data2D objects to write
+ :param filename: Where to write the NXcanSAS file
+ """
+
+ def _h5_string(string):
+ """
+ Convert a string to a numpy string in a numpy array. This way it is
+ written to the HDF5 file as a fixed length ASCII string and is
+ compatible with the Reader read() method.
+ """
+ if isinstance(string, np.ndarray):
+ return string
+ elif not isinstance(string, str):
+ string = str(string)
+
+ return np.array([np.string_(string)])
+
+ def _write_h5_string(entry, value, key):
+ entry[key] = _h5_string(value)
+
+ def _h5_float(x):
+ if not (isinstance(x, list)):
+ x = [x]
+ return np.array(x, dtype=np.float32)
+
+ def _write_h5_float(entry, value, key):
+ entry.create_dataset(key, data=_h5_float(value))
+
+ def _write_h5_vector(entry, vector, names=['x_position', 'y_position'],
+ units=None, write_fn=_write_h5_string):
+ """
+ Write a vector to an h5 entry
+
+ :param entry: The H5Py entry to write to
+ :param vector: The Vector to write
+ :param names: What to call the x,y and z components of the vector
+ when writing to the H5Py entry
+ :param units: The units of the vector (optional)
+ :param write_fn: A function to convert the value to the required
+ format and write it to the H5Py entry, of the form
+ f(entry, value, name) (optional)
+ """
+ if len(names) < 2:
+ raise ValueError("Length of names must be >= 2.")
+
+ if vector.x is not None:
+ write_fn(entry, vector.x, names[0])
+ if units is not None:
+ entry[names[0]].attrs['units'] = units
+ if vector.y is not None:
+ write_fn(entry, vector.y, names[1])
+ if units is not None:
+ entry[names[1]].attrs['units'] = units
+ if len(names) == 3 and vector.z is not None:
+ write_fn(entry, vector.z, names[2])
+ if units is not None:
+ entry[names[2]].attrs['units'] = units
+
+ valid_data = all([issubclass(d.__class__, (Data1D, Data2D)) for d in dataset])
+ if not valid_data:
+ raise ValueError("All entries of dataset must be Data1D or Data2D objects")
+
+ # Get run name and number from first Data object
+ data_info = dataset[0]
+ run_number = ''
+ run_name = ''
+ if len(data_info.run) > 0:
+ run_number = data_info.run[0]
+ if len(data_info.run_name) > 0:
+ run_name = data_info.run_name[run_number]
+
+ f = h5py.File(filename, 'w')
+ sasentry = f.create_group('sasentry01')
+ sasentry['definition'] = _h5_string('NXcanSAS')
+ sasentry['run'] = _h5_string(run_number)
+ sasentry['run'].attrs['name'] = run_name
+ sasentry['title'] = _h5_string(data_info.title)
+ sasentry.attrs['canSAS_class'] = 'SASentry'
+ sasentry.attrs['version'] = '1.0'
+
+ i = 1
+
+ for data_obj in dataset:
+ data_entry = sasentry.create_group("sasdata{0:0=2d}".format(i))
+ data_entry.attrs['canSAS_class'] = 'SASdata'
+ if isinstance(data_obj, Data1D):
+ self._write_1d_data(data_obj, data_entry)
+ elif isinstance(data_obj, Data2D):
+ self._write_2d_data(data_obj, data_entry)
+ i += 1
+
+ data_info = dataset[0]
+ # Sample metadata
+ sample_entry = sasentry.create_group('sassample')
+ sample_entry.attrs['canSAS_class'] = 'SASsample'
+ sample_entry['ID'] = _h5_string(data_info.sample.name)
+ sample_attrs = ['thickness', 'temperature', 'transmission']
+ for key in sample_attrs:
+ if getattr(data_info.sample, key) is not None:
+ sample_entry.create_dataset(key,
+ data=_h5_float(getattr(data_info.sample, key)))
+ _write_h5_vector(sample_entry, data_info.sample.position)
+ # NXcanSAS doesn't save information about pitch, only roll
+ # and yaw. The _write_h5_vector method writes vector.y, but we
+ # need to write vector.z for yaw
+ data_info.sample.orientation.y = data_info.sample.orientation.z
+ _write_h5_vector(sample_entry, data_info.sample.orientation,
+ names=['polar_angle', 'azimuthal_angle'])
+ if data_info.sample.details is not None\
+ and data_info.sample.details != []:
+ details = None
+ if len(data_info.sample.details) > 1:
+ details = [np.string_(d) for d in data_info.sample.details]
+ details = np.array(details)
+ elif data_info.sample.details != []:
+ details = _h5_string(data_info.sample.details[0])
+ if details is not None:
+ sample_entry.create_dataset('details', data=details)
+
+ # Instrumment metadata
+ instrument_entry = sasentry.create_group('sasinstrument')
+ instrument_entry.attrs['canSAS_class'] = 'SASinstrument'
+ instrument_entry['name'] = _h5_string(data_info.instrument)
+
+ # Source metadata
+ source_entry = instrument_entry.create_group('sassource')
+ source_entry.attrs['canSAS_class'] = 'SASsource'
+ if data_info.source.radiation is None:
+ source_entry['radiation'] = _h5_string('neutron')
+ else:
+ source_entry['radiation'] = _h5_string(data_info.source.radiation)
+ if data_info.source.beam_shape is not None:
+ source_entry['beam_shape'] = _h5_string(data_info.source.beam_shape)
+ wavelength_keys = { 'wavelength': 'incident_wavelength',
+ 'wavelength_min':'wavelength_min',
+ 'wavelength_max': 'wavelength_max',
+ 'wavelength_spread': 'incident_wavelength_spread' }
+ for sasname, nxname in wavelength_keys.iteritems():
+ value = getattr(data_info.source, sasname)
+ units = getattr(data_info.source, sasname + '_unit')
+ if value is not None:
+ source_entry[nxname] = _h5_float(value)
+ source_entry[nxname].attrs['units'] = units
+ _write_h5_vector(source_entry, data_info.source.beam_size,
+ names=['beam_size_x', 'beam_size_y'],
+ units=data_info.source.beam_size_unit, write_fn=_write_h5_float)
+
+
+ # Collimation metadata
+ if len(data_info.collimation) > 0:
+ i = 1
+ for coll_info in data_info.collimation:
+ collimation_entry = instrument_entry.create_group(
+ 'sascollimation{0:0=2d}'.format(i))
+ collimation_entry.attrs['canSAS_class'] = 'SAScollimation'
+ if coll_info.length is not None:
+ _write_h5_float(collimation_entry, coll_info.length, 'SDD')
+ collimation_entry['SDD'].attrs['units'] = coll_info.length_unit
+ if coll_info.name is not None:
+ collimation_entry['name'] = _h5_string(coll_info.name)
+ else:
+ # Create a blank one - at least 1 set of collimation metadata
+ # required by format
+ collimation_entry = instrument_entry.create_group('sascollimation01')
+
+ # Detector metadata
+ if len(data_info.detector) > 0:
+ i = 1
+ for det_info in data_info.detector:
+ detector_entry = instrument_entry.create_group(
+ 'sasdetector{0:0=2d}'.format(i))
+ detector_entry.attrs['canSAS_class'] = 'SASdetector'
+ if det_info.distance is not None:
+ _write_h5_float(detector_entry, det_info.distance, 'SDD')
+ detector_entry['SDD'].attrs['units'] = det_info.distance_unit
+ if det_info.name is not None:
+ detector_entry['name'] = _h5_string(det_info.name)
+ else:
+ detector_entry['name'] = _h5_string('')
+ if det_info.slit_length is not None:
+ _write_h5_float(detector_entry, det_info.slit_length, 'slit_length')
+ detector_entry['slit_length'].attrs['units'] = det_info.slit_length_unit
+ _write_h5_vector(detector_entry, det_info.offset)
+ # NXcanSAS doesn't save information about pitch, only roll
+ # and yaw. The _write_h5_vector method writes vector.y, but we
+ # need to write vector.z for yaw
+ det_info.orientation.y = det_info.orientation.z
+ _write_h5_vector(detector_entry, det_info.orientation,
+ names=['polar_angle', 'azimuthal_angle'])
+ _write_h5_vector(detector_entry, det_info.beam_center,
+ names=['beam_center_x', 'beam_center_y'],
+ write_fn=_write_h5_float, units=det_info.beam_center_unit)
+ _write_h5_vector(detector_entry, det_info.pixel_size,
+ names=['x_pixel_size', 'y_pixel_size'],
+ write_fn=_write_h5_float, units=det_info.pixel_size_unit)
+
+ i += 1
+ else:
+ # Create a blank one - at least 1 detector required by format
+ detector_entry = instrument_entry.create_group('sasdetector01')
+ detector_entry.attrs['canSAS_class'] = 'SASdetector'
+ detector_entry.attrs['name'] = ''
+
+ note_entry = sasentry.create_group('sasnote'.format(i))
+ note_entry.attrs['canSAS_class'] = 'SASnote'
+ notes = None
+ if len(data_info.notes) > 1:
+ notes = [np.string_(n) for n in data_info.notes]
+ notes = np.array(notes)
+ elif data_info.notes != []:
+ notes = _h5_string(data_info.notes[0])
+ if notes is not None:
+ note_entry.create_dataset('SASnote', data=notes)
+
+ f.close()
+
+ def _write_1d_data(self, data_obj, data_entry):
+ """
+ Writes the contents of a Data1D object to a SASdata h5py Group
+
+ :param data_obj: A Data1D object to write to the file
+ :param data_entry: A h5py Group object representing the SASdata
+ """
+ data_entry.attrs['signal'] = 'I'
+ data_entry.attrs['I_axes'] = 'Q'
+ data_entry.attrs['I_uncertainties'] = 'Idev'
+ data_entry.attrs['Q_indicies'] = 0
+
+ dI = data_obj.dy
+ if dI is None:
+ dI = np.zeros((data_obj.y.shape))
+
+ data_entry.create_dataset('Q', data=data_obj.x)
+ data_entry.create_dataset('I', data=data_obj.y)
+ data_entry.create_dataset('Idev', data=dI)
+
+ def _write_2d_data(self, data, data_entry):
+ """
+ Writes the contents of a Data2D object to a SASdata h5py Group
+
+ :param data: A Data2D object to write to the file
+ :param data_entry: A h5py Group object representing the SASdata
+ """
+ data_entry.attrs['signal'] = 'I'
+ data_entry.attrs['I_axes'] = 'Q,Q'
+ data_entry.attrs['I_uncertainties'] = 'Idev'
+ data_entry.attrs['Q_indicies'] = [0,1]
+
+ (n_rows, n_cols) = (len(data.y_bins), len(data.x_bins))
+
+ if n_rows == 0 and n_cols == 0:
+ # Calculate rows and columns, assuming detector is square
+ # Same logic as used in PlotPanel.py _get_bins
+ n_cols = int(np.floor(np.sqrt(len(data.qy_data))))
+ n_rows = int(np.floor(len(data.qy_data) / n_cols))
+
+ if n_rows * n_cols != len(data.qy_data):
+ raise ValueError("Unable to calculate dimensions of 2D data")
+
+ I = np.reshape(data.data, (n_rows, n_cols))
+ dI = np.zeros((n_rows, n_cols))
+ if not all(data.err_data == [None]):
+ dI = np.reshape(data.err_data, (n_rows, n_cols))
+ qx = np.reshape(data.qx_data, (n_rows, n_cols))
+ qy = np.reshape(data.qy_data, (n_rows, n_cols))
+
+ I_entry = data_entry.create_dataset('I', data=I)
+ I_entry.attrs['units'] = data.I_unit
+ Qx_entry = data_entry.create_dataset('Qx', data=qx)
+ Qx_entry.attrs['units'] = data.Q_unit
+ Qy_entry = data_entry.create_dataset('Qy', data=qy)
+ Qy_entry.attrs['units'] = data.Q_unit
+ Idev_entry = data_entry.create_dataset('Idev', data=dI)
+ Idev_entry.attrs['units'] = data.I_unit
diff --git a/src/sas/sascalc/file_converter/otoko_loader.py b/src/sas/sascalc/file_converter/otoko_loader.py
new file mode 100644
index 0000000..0fd9dd3
--- /dev/null
+++ b/src/sas/sascalc/file_converter/otoko_loader.py
@@ -0,0 +1,150 @@
+"""
+Here we handle loading of "OTOKO" data (for more info about this format see
+the comment in load_otoko_data). Given the paths of header and data files, we
+aim to load the data into numpy arrays for use later.
+"""
+
+import itertools
+import os
+import struct
+import numpy as np
+
+class CStyleStruct:
+ """A nice and easy way to get "C-style struct" functionality."""
+ def __init__(self, **kwds):
+ self.__dict__.update(kwds)
+
+class OTOKOParsingError(Exception):
+ pass
+
+class OTOKOData:
+ def __init__(self, q_axis, data_axis):
+ self.q_axis = q_axis
+ self.data_axis = data_axis
+
+class OTOKOLoader(object):
+
+ def __init__(self, qaxis_path, data_path):
+ self.qaxis_path = qaxis_path
+ self.data_path = data_path
+
+ def load_otoko_data(self):
+ """
+ Loads "OTOKO" data, which is a format that stores each axis separately.
+ An axis is represented by a "header" file, which in turn will give details
+ of one or more binary files where the actual data is stored.
+
+ Given the paths of two header files, this function will load each axis in
+ turn. If loading is successfull then an instance of the OTOKOData class
+ will be returned, else an exception will be raised.
+
+ For more information on the OTOKO file format, please see:
+ http://www.diamond.ac.uk/Home/Beamlines/small-angle/SAXS-Software/CCP13/
+ XOTOKO.html
+ """
+ q_axis = self._load_otoko_axis(self.qaxis_path)
+ data_axis = self._load_otoko_axis(self.data_path)
+
+ return OTOKOData(q_axis, data_axis)
+
+ def _load_otoko_axis(self, header_path):
+ """
+ Loads an "OTOKO" axis, given the header file path. Essentially, the
+ header file contains information about the data in the form of integer
+ "indicators", as well as the names of each of the binary files which are
+ assumed to be in the same directory as the header.
+ """
+ if not os.path.exists(header_path):
+ raise OTOKOParsingError("The header file %s does not exist." % header_path)
+
+ binary_file_info_list = []
+ total_frames = 0
+ header_dir = os.path.dirname(os.path.abspath(header_path))
+
+ with open(header_path, "r") as header_file:
+ lines = header_file.readlines()
+ if len(lines) < 4:
+ raise OTOKOParsingError("Expected more lines in %s." % header_path)
+
+ info = lines[0] + lines[1]
+
+ def pairwise(iterable):
+ """
+ s -> (s0,s1), (s2,s3), (s4, s5), ...
+ From http://stackoverflow.com/a/5389547/778572
+ """
+ a = iter(iterable)
+ return itertools.izip(a, a)
+
+ for indicators, filename in pairwise(lines[2:]):
+ indicators = indicators.split()
+
+ if len(indicators) != 10:
+ raise OTOKOParsingError(
+ "Expected 10 integer indicators on line 3 of %s." \
+ % header_path)
+ if not all([i.isdigit() for i in indicators]):
+ raise OTOKOParsingError(
+ "Expected all indicators on line 3 of %s to be integers." \
+ % header_path)
+
+ binary_file_info = CStyleStruct(
+ # The indicators at indices 4 to 8 are always zero since they
+ # have been reserved for future use by the format. Also, the
+ # "last_file" indicator seems to be there for legacy reasons,
+ # as it doesn't appear to be something we have to bother
+ # enforcing correct use of; we just define the last file as
+ # being the last file in the list.
+ file_path = os.path.join(header_dir, filename.strip()),
+ n_channels = int(indicators[0]),
+ n_frames = int(indicators[1]),
+ dimensions = int(indicators[2]),
+ swap_bytes = int(indicators[3]) == 0,
+ last_file = int(indicators[9]) == 0 # We don't use this.
+ )
+ if binary_file_info.dimensions != 1:
+ msg = "File {} has {} dimensions, expected 1. Is it a BSL file?"
+ raise OTOKOParsingError(msg.format(filename.strip(),
+ binary_file_info.dimensions))
+
+ binary_file_info_list.append(binary_file_info)
+
+ total_frames += binary_file_info.n_frames
+
+ # Check that all binary files are listed in the header as having the same
+ # number of channels, since I don't think CorFunc can handle ragged data.
+ all_n_channels = [info.n_channels for info in binary_file_info_list]
+ if not all(all_n_channels[0] == c for c in all_n_channels):
+ raise OTOKOParsingError(
+ "Expected all binary files listed in %s to have the same number of channels." % header_path)
+
+ data = np.zeros(shape=(total_frames, all_n_channels[0]))
+ frames_so_far = 0
+
+ for info in binary_file_info_list:
+ if not os.path.exists(info.file_path):
+ raise OTOKOParsingError(
+ "The data file %s does not exist." % info.file_path)
+
+ with open(info.file_path, "rb") as binary_file:
+ # Ideally we'd like to use numpy's fromfile() to read in binary
+ # data, but we are forced to roll our own float-by-float file
+ # reader because of the rules imposed on us by the file format;
+ # namely, if the swap indicator flag has been raised then the bytes
+ # of each float occur in reverse order.
+ for frame in range(info.n_frames):
+ for channel in range(info.n_channels):
+ b = bytes(binary_file.read(4))
+ if info.swap_bytes:
+ b = b[::-1] # "Extended slice" syntax, used to reverse.
+ value = struct.unpack('f', b)[0]
+ data[frames_so_far + frame][channel] = value
+
+ frames_so_far += info.n_frames
+
+ return CStyleStruct(
+ header_path = header_path,
+ data = data,
+ binary_file_info_list = binary_file_info_list,
+ header_info = info
+ )
diff --git a/src/sas/sascalc/file_converter/red2d_writer.py b/src/sas/sascalc/file_converter/red2d_writer.py
new file mode 100644
index 0000000..8de558b
--- /dev/null
+++ b/src/sas/sascalc/file_converter/red2d_writer.py
@@ -0,0 +1,36 @@
+import os
+import time
+from sas.sascalc.dataloader.readers.red2d_reader import Reader as Red2DReader
+
+class Red2DWriter(Red2DReader):
+
+ def write(self, filename, data, thread):
+ """
+ Write to .dat
+
+ :param filename: file name to write
+ :param data: data2D
+ """
+ # Write the file
+ fd = open(filename, 'w')
+ t = time.localtime()
+ time_str = time.strftime("%H:%M on %b %d %y", t)
+
+ header_str = "Data columns are Qx - Qy - I(Qx,Qy)\n\nASCII data"
+ header_str += " created at %s \n\n" % time_str
+ # simple 2D header
+ fd.write(header_str)
+ # write qx qy I values
+ for i in range(len(data.data)):
+ if thread.isquit():
+ fd.close()
+ os.remove(filename)
+ return False
+
+ fd.write("%g %g %g\n" % (data.qx_data[i],
+ data.qy_data[i],
+ data.data[i]))
+
+ fd.close()
+
+ return True
diff --git a/src/sas/sascalc/fit/AbstractFitEngine.py b/src/sas/sascalc/fit/AbstractFitEngine.py
new file mode 100644
index 0000000..85e2d99
--- /dev/null
+++ b/src/sas/sascalc/fit/AbstractFitEngine.py
@@ -0,0 +1,629 @@
+
+import copy
+#import logging
+import sys
+import math
+import numpy
+
+from sas.sascalc.dataloader.data_info import Data1D
+from sas.sascalc.dataloader.data_info import Data2D
+_SMALLVALUE = 1.0e-10
+
+class FitHandler(object):
+ """
+ Abstract interface for fit thread handler.
+
+ The methods in this class are called by the optimizer as the fit
+ progresses.
+
+ Note that it is up to the optimizer to call the fit handler correctly,
+ reporting all status changes and maintaining the 'done' flag.
+ """
+ done = False
+ """True when the fit job is complete"""
+ result = None
+ """The current best result of the fit"""
+
+ def improvement(self):
+ """
+ Called when a result is observed which is better than previous
+ results from the fit.
+
+ result is a FitResult object, with parameters, #calls and fitness.
+ """
+ def error(self, msg):
+ """
+ Model had an error; print traceback
+ """
+ def progress(self, current, expected):
+ """
+ Called each cycle of the fit, reporting the current and the
+ expected amount of work. The meaning of these values is
+ optimizer dependent, but they can be converted into a percent
+ complete using (100*current)//expected.
+
+ Progress is updated each iteration of the fit, whatever that
+ means for the particular optimization algorithm. It is called
+ after any calls to improvement for the iteration so that the
+ update handler can control I/O bandwidth by suppressing
+ intermediate improvements until the fit is complete.
+ """
+ def finalize(self):
+ """
+ Fit is complete; best results are reported
+ """
+ def abort(self):
+ """
+ Fit was aborted.
+ """
+
+ # TODO: not sure how these are used, but they are needed for running the fit
+ def update_fit(self, last=False): pass
+ def set_result(self, result=None): self.result = result
+
+class Model:
+ """
+ Fit wrapper for SAS models.
+ """
+ def __init__(self, sas_model, sas_data=None, **kw):
+ """
+ :param sas_model: the sas model to wrap for fitting
+
+ """
+ self.model = sas_model
+ self.name = sas_model.name
+ self.data = sas_data
+
+ def get_params(self, fitparams):
+ """
+ return a list of value of paramter to fit
+
+ :param fitparams: list of paramaters name to fit
+
+ """
+ return [self.model.getParam(k) for k in fitparams]
+
+ def set_params(self, paramlist, params):
+ """
+ Set value for parameters to fit
+
+ :param params: list of value for parameters to fit
+
+ """
+ for k,v in zip(paramlist, params):
+ self.model.setParam(k,v)
+
+ def set(self, **kw):
+ self.set_params(*zip(*kw.items()))
+
+ def eval(self, x):
+ """
+ Override eval method of model.
+
+ :param x: the x value used to compute a function
+ """
+ try:
+ return self.model.evalDistribution(x)
+ except:
+ raise
+
+ def eval_derivs(self, x, pars=[]):
+ """
+ Evaluate the model and derivatives wrt pars at x.
+
+ pars is a list of the names of the parameters for which derivatives
+ are desired.
+
+ This method needs to be specialized in the model to evaluate the
+ model function. Alternatively, the model can implement is own
+ version of residuals which calculates the residuals directly
+ instead of calling eval.
+ """
+ raise NotImplementedError('no derivatives available')
+
+ def __call__(self, x):
+ return self.eval(x)
+
+class FitData1D(Data1D):
+ """
+ Wrapper class for SAS data
+ FitData1D inherits from DataLoader.data_info.Data1D. Implements
+ a way to get residuals from data.
+ """
+ def __init__(self, x, y, dx=None, dy=None, smearer=None, data=None, lam=None, dlam=None):
+ """
+ :param smearer: is an object of class QSmearer or SlitSmearer
+ that will smear the theory data (slit smearing or resolution
+ smearing) when set.
+
+ The proper way to set the smearing object would be to
+ do the following: ::
+
+ from sas.sascalc.data_util.qsmearing import smear_selection
+ smearer = smear_selection(some_data)
+ fitdata1d = FitData1D( x= [1,3,..,],
+ y= [3,4,..,8],
+ dx=None,
+ dy=[1,2...], smearer= smearer)
+
+ :Note: that some_data _HAS_ to be of
+ class DataLoader.data_info.Data1D
+ Setting it back to None will turn smearing off.
+
+ """
+ Data1D.__init__(self, x=x, y=y, dx=dx, dy=dy, lam=lam, dlam=dlam)
+ self.num_points = len(x)
+ self.sas_data = data
+ self.smearer = smearer
+ self._first_unsmeared_bin = None
+ self._last_unsmeared_bin = None
+ # Check error bar; if no error bar found, set it constant(=1)
+ # TODO: Should provide an option for users to set it like percent,
+ # constant, or dy data
+ if dy is None or dy == [] or dy.all() == 0:
+ self.dy = numpy.ones(len(y))
+ else:
+ self.dy = numpy.asarray(dy).copy()
+
+ ## Min Q-value
+ #Skip the Q=0 point, especially when y(q=0)=None at x[0].
+ if min(self.x) == 0.0 and self.x[0] == 0 and\
+ not numpy.isfinite(self.y[0]):
+ self.qmin = min(self.x[self.x != 0])
+ else:
+ self.qmin = min(self.x)
+ ## Max Q-value
+ self.qmax = max(self.x)
+
+ # Range used for input to smearing
+ self._qmin_unsmeared = self.qmin
+ self._qmax_unsmeared = self.qmax
+ # Identify the bin range for the unsmeared and smeared spaces
+ self.idx = (self.x >= self.qmin) & (self.x <= self.qmax)
+ self.idx_unsmeared = (self.x >= self._qmin_unsmeared) \
+ & (self.x <= self._qmax_unsmeared)
+
+ def set_fit_range(self, qmin=None, qmax=None):
+ """ to set the fit range"""
+ # Skip Q=0 point, (especially for y(q=0)=None at x[0]).
+ # ToDo: Find better way to do it.
+ if qmin == 0.0 and not numpy.isfinite(self.y[qmin]):
+ self.qmin = min(self.x[self.x != 0])
+ elif qmin != None:
+ self.qmin = qmin
+ if qmax != None:
+ self.qmax = qmax
+ # Determine the range needed in unsmeared-Q to cover
+ # the smeared Q range
+ self._qmin_unsmeared = self.qmin
+ self._qmax_unsmeared = self.qmax
+
+ self._first_unsmeared_bin = 0
+ self._last_unsmeared_bin = len(self.x) - 1
+
+ if self.smearer != None:
+ self._first_unsmeared_bin, self._last_unsmeared_bin = \
+ self.smearer.get_bin_range(self.qmin, self.qmax)
+ self._qmin_unsmeared = self.x[self._first_unsmeared_bin]
+ self._qmax_unsmeared = self.x[self._last_unsmeared_bin]
+
+ # Identify the bin range for the unsmeared and smeared spaces
+ self.idx = (self.x >= self.qmin) & (self.x <= self.qmax)
+ ## zero error can not participate for fitting
+ self.idx = self.idx & (self.dy != 0)
+ self.idx_unsmeared = (self.x >= self._qmin_unsmeared) \
+ & (self.x <= self._qmax_unsmeared)
+
+ def get_fit_range(self):
+ """
+ Return the range of data.x to fit
+ """
+ return self.qmin, self.qmax
+
+ def size(self):
+ """
+ Number of measurement points in data set after masking, etc.
+ """
+ return len(self.x)
+
+ def residuals(self, fn):
+ """
+ Compute residuals.
+
+ If self.smearer has been set, use if to smear
+ the data before computing chi squared.
+
+ :param fn: function that return model value
+
+ :return: residuals
+ """
+ # Compute theory data f(x)
+ fx = numpy.zeros(len(self.x))
+ fx[self.idx_unsmeared] = fn(self.x[self.idx_unsmeared])
+
+ ## Smear theory data
+ if self.smearer is not None:
+ fx = self.smearer(fx, self._first_unsmeared_bin,
+ self._last_unsmeared_bin)
+ ## Sanity check
+ if numpy.size(self.dy) != numpy.size(fx):
+ msg = "FitData1D: invalid error array "
+ msg += "%d <> %d" % (numpy.shape(self.dy), numpy.size(fx))
+ raise RuntimeError, msg
+ return (self.y[self.idx] - fx[self.idx]) / self.dy[self.idx], fx[self.idx]
+
+ def residuals_deriv(self, model, pars=[]):
+ """
+ :return: residuals derivatives .
+
+ :note: in this case just return empty array
+ """
+ return []
+
+
+class FitData2D(Data2D):
+ """
+ Wrapper class for SAS data
+ """
+ def __init__(self, sas_data2d, data=None, err_data=None):
+ Data2D.__init__(self, data=data, err_data=err_data)
+ # Data can be initialized with a sas plottable or with vectors.
+ self.res_err_image = []
+ self.num_points = 0 # will be set by set_data
+ self.idx = []
+ self.qmin = None
+ self.qmax = None
+ self.smearer = None
+ self.radius = 0
+ self.res_err_data = []
+ self.sas_data = sas_data2d
+ self.set_data(sas_data2d)
+
+ def set_data(self, sas_data2d, qmin=None, qmax=None):
+ """
+ Determine the correct qx_data and qy_data within range to fit
+ """
+ self.data = sas_data2d.data
+ self.err_data = sas_data2d.err_data
+ self.qx_data = sas_data2d.qx_data
+ self.qy_data = sas_data2d.qy_data
+ self.mask = sas_data2d.mask
+
+ x_max = max(math.fabs(sas_data2d.xmin), math.fabs(sas_data2d.xmax))
+ y_max = max(math.fabs(sas_data2d.ymin), math.fabs(sas_data2d.ymax))
+
+ ## fitting range
+ if qmin == None:
+ self.qmin = 1e-16
+ if qmax == None:
+ self.qmax = math.sqrt(x_max * x_max + y_max * y_max)
+ ## new error image for fitting purpose
+ if self.err_data == None or self.err_data == []:
+ self.res_err_data = numpy.ones(len(self.data))
+ else:
+ self.res_err_data = copy.deepcopy(self.err_data)
+ #self.res_err_data[self.res_err_data==0]=1
+
+ self.radius = numpy.sqrt(self.qx_data**2 + self.qy_data**2)
+
+ # Note: mask = True: for MASK while mask = False for NOT to mask
+ self.idx = ((self.qmin <= self.radius) &\
+ (self.radius <= self.qmax))
+ self.idx = (self.idx) & (self.mask)
+ self.idx = (self.idx) & (numpy.isfinite(self.data))
+ self.num_points = numpy.sum(self.idx)
+
+ def set_smearer(self, smearer):
+ """
+ Set smearer
+ """
+ if smearer == None:
+ return
+ self.smearer = smearer
+ self.smearer.set_index(self.idx)
+ self.smearer.get_data()
+
+ def set_fit_range(self, qmin=None, qmax=None):
+ """
+ To set the fit range
+ """
+ if qmin == 0.0:
+ self.qmin = 1e-16
+ elif qmin != None:
+ self.qmin = qmin
+ if qmax != None:
+ self.qmax = qmax
+ self.radius = numpy.sqrt(self.qx_data**2 + self.qy_data**2)
+ self.idx = ((self.qmin <= self.radius) &\
+ (self.radius <= self.qmax))
+ self.idx = (self.idx) & (self.mask)
+ self.idx = (self.idx) & (numpy.isfinite(self.data))
+ self.idx = (self.idx) & (self.res_err_data != 0)
+
+ def get_fit_range(self):
+ """
+ return the range of data.x to fit
+ """
+ return self.qmin, self.qmax
+
+ def size(self):
+ """
+ Number of measurement points in data set after masking, etc.
+ """
+ return numpy.sum(self.idx)
+
+ def residuals(self, fn):
+ """
+ return the residuals
+ """
+ if self.smearer != None:
+ fn.set_index(self.idx)
+ gn = fn.get_value()
+ else:
+ gn = fn([self.qx_data[self.idx],
+ self.qy_data[self.idx]])
+ # use only the data point within ROI range
+ res = (self.data[self.idx] - gn) / self.res_err_data[self.idx]
+
+ return res, gn
+
+ def residuals_deriv(self, model, pars=[]):
+ """
+ :return: residuals derivatives .
+
+ :note: in this case just return empty array
+
+ """
+ return []
+
+
+class FitAbort(Exception):
+ """
+ Exception raise to stop the fit
+ """
+ #pass
+ #print"Creating fit abort Exception"
+
+
+
+class FitEngine:
+ def __init__(self):
+ """
+ Base class for the fit engine
+ """
+ #Dictionnary of fitArrange element (fit problems)
+ self.fit_arrange_dict = {}
+ self.fitter_id = None
+
+ def set_model(self, model, id, pars=[], constraints=[], data=None):
+ """
+ set a model on a given in the fit engine.
+
+ :param model: sas.models type
+ :param id: is the key of the fitArrange dictionary where model is saved as a value
+ :param pars: the list of parameters to fit
+ :param constraints: list of
+ tuple (name of parameter, value of parameters)
+ the value of parameter must be a string to constraint 2 different
+ parameters.
+ Example:
+ we want to fit 2 model M1 and M2 both have parameters A and B.
+ constraints can be ``constraints = [(M1.A, M2.B+2), (M1.B= M2.A *5),...,]``
+
+
+ :note: pars must contains only name of existing model's parameters
+
+ """
+ if not pars:
+ raise ValueError("no fitting parameters")
+
+ if model is None:
+ raise ValueError("no model to fit")
+
+ if not issubclass(model.__class__, Model):
+ model = Model(model, data)
+
+ sasmodel = model.model
+ available_parameters = sasmodel.getParamList()
+ for p in pars:
+ if p not in available_parameters:
+ raise ValueError("parameter %s not available in model %s; use one of [%s] instead"
+ %(p, sasmodel.name, ", ".join(available_parameters)))
+
+ if id not in self.fit_arrange_dict:
+ self.fit_arrange_dict[id] = FitArrange()
+
+ self.fit_arrange_dict[id].set_model(model)
+ self.fit_arrange_dict[id].pars = pars
+ self.fit_arrange_dict[id].vals = [sasmodel.getParam(name) for name in pars]
+ self.fit_arrange_dict[id].constraints = constraints
+
+ def set_data(self, data, id, smearer=None, qmin=None, qmax=None):
+ """
+ Receives plottable, creates a list of data to fit,set data
+ in a FitArrange object and adds that object in a dictionary
+ with key id.
+
+ :param data: data added
+ :param id: unique key corresponding to a fitArrange object with data
+ """
+ if data.__class__.__name__ == 'Data2D':
+ fitdata = FitData2D(sas_data2d=data, data=data.data,
+ err_data=data.err_data)
+ else:
+ fitdata = FitData1D(x=data.x, y=data.y,
+ dx=data.dx, dy=data.dy, smearer=smearer)
+ fitdata.sas_data = data
+
+ fitdata.set_fit_range(qmin=qmin, qmax=qmax)
+ #A fitArrange is already created but contains model only at id
+ if id in self.fit_arrange_dict:
+ self.fit_arrange_dict[id].add_data(fitdata)
+ else:
+ #no fitArrange object has been create with this id
+ fitproblem = FitArrange()
+ fitproblem.add_data(fitdata)
+ self.fit_arrange_dict[id] = fitproblem
+
+ def get_model(self, id):
+ """
+ :param id: id is key in the dictionary containing the model to return
+
+ :return: a model at this id or None if no FitArrange element was
+ created with this id
+ """
+ if id in self.fit_arrange_dict:
+ return self.fit_arrange_dict[id].get_model()
+ else:
+ return None
+
+ def remove_fit_problem(self, id):
+ """remove fitarrange in id"""
+ if id in self.fit_arrange_dict:
+ del self.fit_arrange_dict[id]
+
+ def select_problem_for_fit(self, id, value):
+ """
+ select a couple of model and data at the id position in dictionary
+ and set in self.selected value to value
+
+ :param value: the value to allow fitting.
+ can only have the value one or zero
+ """
+ if id in self.fit_arrange_dict:
+ self.fit_arrange_dict[id].set_to_fit(value)
+
+ def get_problem_to_fit(self, id):
+ """
+ return the self.selected value of the fit problem of id
+
+ :param id: the id of the problem
+ """
+ if id in self.fit_arrange_dict:
+ self.fit_arrange_dict[id].get_to_fit()
+
+
+class FitArrange:
+ def __init__(self):
+ """
+ Class FitArrange contains a set of data for a given model
+ to perform the Fit.FitArrange must contain exactly one model
+ and at least one data for the fit to be performed.
+
+ model: the model selected by the user
+ Ldata: a list of data what the user wants to fit
+
+ """
+ self.model = None
+ self.data_list = []
+ self.pars = []
+ self.vals = []
+ self.selected = 0
+
+ def set_model(self, model):
+ """
+ set_model save a copy of the model
+
+ :param model: the model being set
+ """
+ self.model = model
+
+ def add_data(self, data):
+ """
+ add_data fill a self.data_list with data to fit
+
+ :param data: Data to add in the list
+ """
+ if not data in self.data_list:
+ self.data_list.append(data)
+
+ def get_model(self):
+ """
+ :return: saved model
+ """
+ return self.model
+
+ def get_data(self):
+ """
+ :return: list of data data_list
+ """
+ return self.data_list[0]
+
+ def remove_data(self, data):
+ """
+ Remove one element from the list
+
+ :param data: Data to remove from data_list
+ """
+ if data in self.data_list:
+ self.data_list.remove(data)
+
+ def set_to_fit(self, value=0):
+ """
+ set self.selected to 0 or 1 for other values raise an exception
+
+ :param value: integer between 0 or 1
+ """
+ self.selected = value
+
+ def get_to_fit(self):
+ """
+ return self.selected value
+ """
+ return self.selected
+
+class FResult(object):
+ """
+ Storing fit result
+ """
+ def __init__(self, model=None, param_list=None, data=None):
+ self.calls = None
+ self.fitness = None
+ self.chisqr = None
+ self.pvec = []
+ self.cov = []
+ self.info = None
+ self.mesg = None
+ self.success = None
+ self.stderr = None
+ self.residuals = []
+ self.index = []
+ self.model = model
+ self.data = data
+ self.theory = []
+ self.param_list = param_list
+ self.iterations = 0
+ self.inputs = []
+ self.fitter_id = None
+ if self.model is not None and self.data is not None:
+ self.inputs = [(self.model, self.data)]
+
+ def set_model(self, model):
+ """
+ """
+ self.model = model
+
+ def set_fitness(self, fitness):
+ """
+ """
+ self.fitness = fitness
+
+ def __str__(self):
+ """
+ """
+ if self.pvec == None and self.model is None and self.param_list is None:
+ return "No results"
+
+ sasmodel = self.model.model
+ pars = enumerate(sasmodel.getParamList())
+ msg1 = "[Iteration #: %s ]" % self.iterations
+ msg3 = "=== goodness of fit: %s ===" % (str(self.fitness))
+ msg2 = ["P%-3d %s......|.....%s" % (i, v, sasmodel.getParam(v))
+ for i,v in pars if v in self.param_list]
+ msg = [msg1, msg3] + msg2
+ return "\n".join(msg)
+
+ def print_summary(self):
+ """
+ """
+ print str(self)
diff --git a/src/sas/sascalc/fit/BumpsFitting.py b/src/sas/sascalc/fit/BumpsFitting.py
new file mode 100644
index 0000000..17ab77f
--- /dev/null
+++ b/src/sas/sascalc/fit/BumpsFitting.py
@@ -0,0 +1,378 @@
+"""
+BumpsFitting module runs the bumps optimizer.
+"""
+import os
+from datetime import timedelta, datetime
+import traceback
+
+import numpy
+
+from bumps import fitters
+try:
+ from bumps.options import FIT_CONFIG
+ # Default bumps to use the Levenberg-Marquardt optimizer
+ FIT_CONFIG.selected_id = fitters.LevenbergMarquardtFit.id
+ def get_fitter():
+ return FIT_CONFIG.selected_fitter, FIT_CONFIG.selected_values
+except:
+ # CRUFT: Bumps changed its handling of fit options around 0.7.5.6
+ # Default bumps to use the Levenberg-Marquardt optimizer
+ fitters.FIT_DEFAULT = 'lm'
+ def get_fitter():
+ fitopts = fitters.FIT_OPTIONS[fitters.FIT_DEFAULT]
+ return fitopts.fitclass, fitopts.options.copy()
+
+
+from bumps.mapper import SerialMapper, MPMapper
+from bumps import parameter
+from bumps.fitproblem import FitProblem
+
+
+from sas.sascalc.fit.AbstractFitEngine import FitEngine
+from sas.sascalc.fit.AbstractFitEngine import FResult
+from sas.sascalc.fit.expression import compile_constraints
+
+class Progress(object):
+ def __init__(self, history, max_step, pars, dof):
+ remaining_time = int(history.time[0]*(float(max_step)/history.step[0]-1))
+ # Depending on the time remaining, either display the expected
+ # time of completion, or the amount of time remaining. Use precision
+ # appropriate for the duration.
+ if remaining_time >= 1800:
+ completion_time = datetime.now() + timedelta(seconds=remaining_time)
+ if remaining_time >= 36000:
+ time = completion_time.strftime('%Y-%m-%d %H:%M')
+ else:
+ time = completion_time.strftime('%H:%M')
+ else:
+ if remaining_time >= 3600:
+ time = '%dh %dm'%(remaining_time//3600, (remaining_time%3600)//60)
+ elif remaining_time >= 60:
+ time = '%dm %ds'%(remaining_time//60, remaining_time%60)
+ else:
+ time = '%ds'%remaining_time
+ chisq = "%.3g"%(2*history.value[0]/dof)
+ step = "%d of %d"%(history.step[0], max_step)
+ header = "=== Steps: %s chisq: %s ETA: %s\n"%(step, chisq, time)
+ parameters = ["%15s: %-10.3g%s"%(k,v,("\n" if i%3==2 else " | "))
+ for i,(k,v) in enumerate(zip(pars,history.point[0]))]
+ self.msg = "".join([header]+parameters)
+
+ def __str__(self):
+ return self.msg
+
+
+class BumpsMonitor(object):
+ def __init__(self, handler, max_step, pars, dof):
+ self.handler = handler
+ self.max_step = max_step
+ self.pars = pars
+ self.dof = dof
+
+ def config_history(self, history):
+ history.requires(time=1, value=2, point=1, step=1)
+
+ def __call__(self, history):
+ if self.handler is None: return
+ self.handler.set_result(Progress(history, self.max_step, self.pars, self.dof))
+ self.handler.progress(history.step[0], self.max_step)
+ if len(history.step)>1 and history.step[1] > history.step[0]:
+ self.handler.improvement()
+ self.handler.update_fit()
+
+class ConvergenceMonitor(object):
+ """
+ ConvergenceMonitor contains population summary statistics to show progress
+ of the fit. This is a list [ (best, 0%, 25%, 50%, 75%, 100%) ] or
+ just a list [ (best, ) ] if population size is 1.
+ """
+ def __init__(self):
+ self.convergence = []
+
+ def config_history(self, history):
+ history.requires(value=1, population_values=1)
+
+ def __call__(self, history):
+ best = history.value[0]
+ try:
+ p = history.population_values[0]
+ n,p = len(p), numpy.sort(p)
+ QI,Qmid, = int(0.2*n),int(0.5*n)
+ self.convergence.append((best, p[0],p[QI],p[Qmid],p[-1-QI],p[-1]))
+ except:
+ self.convergence.append((best, best,best,best,best,best))
+
+
+# Note: currently using bumps parameters for each parameter object so that
+# a SasFitness can be used directly in bumps with the usual semantics.
+# The disadvantage of this technique is that we need to copy every parameter
+# back into the model each time the function is evaluated. We could instead
+# define reference parameters for each sas parameter, but then we would not
+# be able to express constraints using python expressions in the usual way
+# from bumps, and would instead need to use string expressions.
+class SasFitness(object):
+ """
+ Wrap SAS model as a bumps fitness object
+ """
+ def __init__(self, model, data, fitted=[], constraints={},
+ initial_values=None, **kw):
+ self.name = model.name
+ self.model = model.model
+ self.data = data
+ if self.data.smearer is not None:
+ self.data.smearer.model = self.model
+ self._define_pars()
+ self._init_pars(kw)
+ if initial_values is not None:
+ self._reset_pars(fitted, initial_values)
+ self.constraints = dict(constraints)
+ self.set_fitted(fitted)
+ self.update()
+
+ def _reset_pars(self, names, values):
+ for k,v in zip(names, values):
+ self._pars[k].value = v
+
+ def _define_pars(self):
+ self._pars = {}
+ for k in self.model.getParamList():
+ name = ".".join((self.name,k))
+ value = self.model.getParam(k)
+ bounds = self.model.details.get(k,["",None,None])[1:3]
+ self._pars[k] = parameter.Parameter(value=value, bounds=bounds,
+ fixed=True, name=name)
+ #print parameter.summarize(self._pars.values())
+
+ def _init_pars(self, kw):
+ for k,v in kw.items():
+ # dispersion parameters initialized with _field instead of .field
+ if k.endswith('_width'): k = k[:-6]+'.width'
+ elif k.endswith('_npts'): k = k[:-5]+'.npts'
+ elif k.endswith('_nsigmas'): k = k[:-7]+'.nsigmas'
+ elif k.endswith('_type'): k = k[:-5]+'.type'
+ if k not in self._pars:
+ formatted_pars = ", ".join(sorted(self._pars.keys()))
+ raise KeyError("invalid parameter %r for %s--use one of: %s"
+ %(k, self.model, formatted_pars))
+ if '.' in k and not k.endswith('.width'):
+ self.model.setParam(k, v)
+ elif isinstance(v, parameter.BaseParameter):
+ self._pars[k] = v
+ elif isinstance(v, (tuple,list)):
+ low, high = v
+ self._pars[k].value = (low+high)/2
+ self._pars[k].range(low,high)
+ else:
+ self._pars[k].value = v
+
+ def set_fitted(self, param_list):
+ """
+ Flag a set of parameters as fitted parameters.
+ """
+ for k,p in self._pars.items():
+ p.fixed = (k not in param_list or k in self.constraints)
+ self.fitted_par_names = [k for k in param_list if k not in self.constraints]
+ self.computed_par_names = [k for k in param_list if k in self.constraints]
+ self.fitted_pars = [self._pars[k] for k in self.fitted_par_names]
+ self.computed_pars = [self._pars[k] for k in self.computed_par_names]
+
+ # ===== Fitness interface ====
+ def parameters(self):
+ return self._pars
+
+ def update(self):
+ for k,v in self._pars.items():
+ #print "updating",k,v,v.value
+ self.model.setParam(k,v.value)
+ self._dirty = True
+
+ def _recalculate(self):
+ if self._dirty:
+ self._residuals, self._theory \
+ = self.data.residuals(self.model.evalDistribution)
+ self._dirty = False
+
+ def numpoints(self):
+ return numpy.sum(self.data.idx) # number of fitted points
+
+ def nllf(self):
+ return 0.5*numpy.sum(self.residuals()**2)
+
+ def theory(self):
+ self._recalculate()
+ return self._theory
+
+ def residuals(self):
+ self._recalculate()
+ return self._residuals
+
+ # Not implementing the data methods for now:
+ #
+ # resynth_data/restore_data/save/plot
+
+class ParameterExpressions(object):
+ def __init__(self, models):
+ self.models = models
+ self._setup()
+
+ def _setup(self):
+ exprs = {}
+ for M in self.models:
+ exprs.update((".".join((M.name, k)), v) for k, v in M.constraints.items())
+ if exprs:
+ symtab = dict((".".join((M.name, k)), p)
+ for M in self.models
+ for k,p in M.parameters().items())
+ self.update = compile_constraints(symtab, exprs)
+ else:
+ self.update = lambda: 0
+
+ def __call__(self):
+ self.update()
+
+ def __getstate__(self):
+ return self.models
+
+ def __setstate__(self, state):
+ self.models = state
+ self._setup()
+
+class BumpsFit(FitEngine):
+ """
+ Fit a model using bumps.
+ """
+ def __init__(self):
+ """
+ Creates a dictionary (self.fit_arrange_dict={})of FitArrange elements
+ with Uid as keys
+ """
+ FitEngine.__init__(self)
+ self.curr_thread = None
+
+ def fit(self, msg_q=None,
+ q=None, handler=None, curr_thread=None,
+ ftol=1.49012e-8, reset_flag=False):
+ # Build collection of bumps fitness calculators
+ models = [SasFitness(model=M.get_model(),
+ data=M.get_data(),
+ constraints=M.constraints,
+ fitted=M.pars,
+ initial_values=M.vals if reset_flag else None)
+ for M in self.fit_arrange_dict.values()
+ if M.get_to_fit()]
+ if len(models) == 0:
+ raise RuntimeError("Nothing to fit")
+ problem = FitProblem(models)
+
+ # TODO: need better handling of parameter expressions and bounds constraints
+ # so that they are applied during polydispersity calculations. This
+ # will remove the immediate need for the setp_hook in bumps, though
+ # bumps may still need something similar, such as a sane class structure
+ # which allows a subclass to override setp.
+ problem.setp_hook = ParameterExpressions(models)
+
+ # Run the fit
+ result = run_bumps(problem, handler, curr_thread)
+ if handler is not None:
+ handler.update_fit(last=True)
+
+ # TODO: shouldn't reference internal parameters of fit problem
+ varying = problem._parameters
+ # collect the results
+ all_results = []
+ for M in problem.models:
+ fitness = M.fitness
+ fitted_index = [varying.index(p) for p in fitness.fitted_pars]
+ param_list = fitness.fitted_par_names + fitness.computed_par_names
+ R = FResult(model=fitness.model, data=fitness.data,
+ param_list=param_list)
+ R.theory = fitness.theory()
+ R.residuals = fitness.residuals()
+ R.index = fitness.data.idx
+ R.fitter_id = self.fitter_id
+ # TODO: should scale stderr by sqrt(chisq/DOF) if dy is unknown
+ R.success = result['success']
+ if R.success:
+ if result['stderr'] is None:
+ R.stderr = numpy.NaN*numpy.ones(len(param_list))
+ else:
+ R.stderr = numpy.hstack((result['stderr'][fitted_index],
+ numpy.NaN*numpy.ones(len(fitness.computed_pars))))
+ R.pvec = numpy.hstack((result['value'][fitted_index],
+ [p.value for p in fitness.computed_pars]))
+ R.fitness = numpy.sum(R.residuals**2)/(fitness.numpoints() - len(fitted_index))
+ else:
+ R.stderr = numpy.NaN*numpy.ones(len(param_list))
+ R.pvec = numpy.asarray( [p.value for p in fitness.fitted_pars+fitness.computed_pars])
+ R.fitness = numpy.NaN
+ R.convergence = result['convergence']
+ if result['uncertainty'] is not None:
+ R.uncertainty_state = result['uncertainty']
+ all_results.append(R)
+ all_results[0].mesg = result['errors']
+
+ if q is not None:
+ q.put(all_results)
+ return q
+ else:
+ return all_results
+
+def run_bumps(problem, handler, curr_thread):
+ def abort_test():
+ if curr_thread is None: return False
+ try: curr_thread.isquit()
+ except KeyboardInterrupt:
+ if handler is not None:
+ handler.stop("Fitting: Terminated!!!")
+ return True
+ return False
+
+ fitclass, options = get_fitter()
+ steps = options.get('steps', 0)
+ if steps == 0:
+ pop = options.get('pop',0)*len(problem._parameters)
+ samples = options.get('samples', 0)
+ steps = (samples+pop-1)/pop if pop != 0 else samples
+ max_step = steps + options.get('burn', 0)
+ pars = [p.name for p in problem._parameters]
+ #x0 = numpy.asarray([p.value for p in problem._parameters])
+ options['monitors'] = [
+ BumpsMonitor(handler, max_step, pars, problem.dof),
+ ConvergenceMonitor(),
+ ]
+ fitdriver = fitters.FitDriver(fitclass, problem=problem,
+ abort_test=abort_test, **options)
+ omp_threads = int(os.environ.get('OMP_NUM_THREADS','0'))
+ mapper = MPMapper if omp_threads == 1 else SerialMapper
+ fitdriver.mapper = mapper.start_mapper(problem, None)
+ #import time; T0 = time.time()
+ try:
+ best, fbest = fitdriver.fit()
+ errors = []
+ except Exception as exc:
+ best, fbest = None, numpy.NaN
+ errors = [str(exc), traceback.format_exc()]
+ finally:
+ mapper.stop_mapper(fitdriver.mapper)
+
+
+ convergence_list = options['monitors'][-1].convergence
+ convergence = (2*numpy.asarray(convergence_list)/problem.dof
+ if convergence_list else numpy.empty((0,1),'d'))
+
+ success = best is not None
+ try:
+ stderr = fitdriver.stderr() if success else None
+ except Exception as exc:
+ errors.append(str(exc))
+ errors.append(traceback.format_exc())
+ stderr = None
+ return {
+ 'value': best if success else None,
+ 'stderr': stderr,
+ 'success': success,
+ 'convergence': convergence,
+ 'uncertainty': getattr(fitdriver.fitter, 'state', None),
+ 'errors': '\n'.join(errors),
+ }
+
diff --git a/src/sas/sascalc/fit/Loader.py b/src/sas/sascalc/fit/Loader.py
new file mode 100644
index 0000000..18bada0
--- /dev/null
+++ b/src/sas/sascalc/fit/Loader.py
@@ -0,0 +1,86 @@
+# class Loader to load any king of file
+#import wx
+#import string
+import numpy
+
+class Load:
+ """
+ This class is loading values from given file or value giving by the user
+ """
+ def __init__(self, x=None, y=None, dx=None, dy=None):
+ raise NotImplementedError("a code search shows that this code is not active, and you are not seeing this message")
+ # variable to store loaded values
+ self.x = x
+ self.y = y
+ self.dx = dx
+ self.dy = dy
+ self.filename = None
+
+ def set_filename(self, path=None):
+ """
+ Store path into a variable.If the user doesn't give
+ a path as a parameter a pop-up
+ window appears to select the file.
+
+ :param path: the path given by the user
+
+ """
+ self.filename = path
+
+ def get_filename(self):
+ """ return the file's path"""
+ return self.filename
+
+ def set_values(self):
+ """ Store the values loaded from file in local variables"""
+ if not self.filename == None:
+ input_f = open(self.filename, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ self.x = []
+ self.y = []
+ self.dx = []
+ self.dy = []
+ for line in lines:
+ try:
+ toks = line.split()
+ x = float(toks[0])
+ y = float(toks[1])
+ dy = float(toks[2])
+
+ self.x.append(x)
+ self.y.append(y)
+ self.dy.append(dy)
+ self.dx = numpy.zeros(len(self.x))
+ except:
+ print "READ ERROR", line
+ # Sanity check
+ if not len(self.x) == len(self.dx):
+ raise ValueError, "x and dx have different length"
+ if not len(self.y) == len(self.dy):
+ raise ValueError, "y and dy have different length"
+
+
+ def get_values(self):
+ """ Return x, y, dx, dy"""
+ return self.x, self.y, self.dx, self.dy
+
+ def load_data(self, data):
+ """ Return plottable"""
+ #load data
+ data.x = self.x
+ data.y = self.y
+ data.dx = self.dx
+ data.dy = self.dy
+ #Load its View class
+ #plottable.reset_view()
+
+
+if __name__ == "__main__":
+ load = Load()
+ load.set_filename("testdata_line.txt")
+ print load.get_filename()
+ load.set_values()
+ print load.get_values()
+
+
\ No newline at end of file
diff --git a/src/sas/sascalc/fit/MultiplicationModel.py b/src/sas/sascalc/fit/MultiplicationModel.py
new file mode 100644
index 0000000..1f5319f
--- /dev/null
+++ b/src/sas/sascalc/fit/MultiplicationModel.py
@@ -0,0 +1,335 @@
+import copy
+
+import numpy
+
+from sas.sascalc.calculator.BaseComponent import BaseComponent
+
+class MultiplicationModel(BaseComponent):
+ r"""
+ Use for P(Q)\*S(Q); function call must be in the order of P(Q) and then S(Q):
+ The model parameters are combined from both models, P(Q) and S(Q), except 1) 'radius_effective' of S(Q)
+ which will be calculated from P(Q) via calculate_ER(),
+ and 2) 'scale' in P model which is synchronized w/ volfraction in S
+ then P*S is multiplied by a new parameter, 'scale_factor'.
+ The polydispersion is applicable only to P(Q), not to S(Q).
+
+ .. note:: P(Q) refers to 'form factor' model while S(Q) does to 'structure factor'.
+ """
+ def __init__(self, p_model, s_model ):
+ BaseComponent.__init__(self)
+ """
+ :param p_model: form factor, P(Q)
+ :param s_model: structure factor, S(Q)
+ """
+
+ ## Setting model name model description
+ self.description = ""
+ self.name = p_model.name +" * "+ s_model.name
+ self.description= self.name + "\n"
+ self.fill_description(p_model, s_model)
+
+ ## Define parameters
+ self.params = {}
+
+ ## Parameter details [units, min, max]
+ self.details = {}
+
+ ## Define parameters to exclude from multiplication model
+ self.excluded_params={'radius_effective','scale','background'}
+
+ ##models
+ self.p_model = p_model
+ self.s_model = s_model
+ self.magnetic_params = []
+ ## dispersion
+ self._set_dispersion()
+ ## Define parameters
+ self._set_params()
+ ## New parameter:Scaling factor
+ self.params['scale_factor'] = 1
+ self.params['background'] = 0
+
+ ## Parameter details [units, min, max]
+ self._set_details()
+ self.details['scale_factor'] = ['', 0.0, numpy.inf]
+ self.details['background'] = ['',-numpy.inf,numpy.inf]
+
+ #list of parameter that can be fitted
+ self._set_fixed_params()
+ ## parameters with orientation
+ for item in self.p_model.orientation_params:
+ self.orientation_params.append(item)
+ for item in self.p_model.magnetic_params:
+ self.magnetic_params.append(item)
+ for item in self.s_model.orientation_params:
+ if not item in self.orientation_params:
+ self.orientation_params.append(item)
+ # get multiplicity if model provide it, else 1.
+ try:
+ multiplicity = p_model.multiplicity
+ except:
+ multiplicity = 1
+ ## functional multiplicity of the model
+ self.multiplicity = multiplicity
+
+ # non-fittable parameters
+ self.non_fittable = p_model.non_fittable
+ self.multiplicity_info = []
+ self.fun_list = {}
+ if self.non_fittable > 1:
+ try:
+ self.multiplicity_info = p_model.multiplicity_info
+ self.fun_list = p_model.fun_list
+ self.is_multiplicity_model = True
+ except:
+ pass
+ else:
+ self.is_multiplicity_model = False
+ self.multiplicity_info = [0]
+
+ def _clone(self, obj):
+ """
+ Internal utility function to copy the internal data members to a
+ fresh copy.
+ """
+ obj.params = copy.deepcopy(self.params)
+ obj.description = copy.deepcopy(self.description)
+ obj.details = copy.deepcopy(self.details)
+ obj.dispersion = copy.deepcopy(self.dispersion)
+ obj.p_model = self.p_model.clone()
+ obj.s_model = self.s_model.clone()
+ #obj = copy.deepcopy(self)
+ return obj
+
+
+ def _set_dispersion(self):
+ """
+ combine the two models' dispersions. Polydispersity should not be
+ applied to s_model
+ """
+ ##set dispersion only from p_model
+ for name , value in self.p_model.dispersion.iteritems():
+ self.dispersion[name] = value
+
+ def getProfile(self):
+ """
+ Get SLD profile of p_model if exists
+
+ :return: (r, beta) where r is a list of radius of the transition points\
+ beta is a list of the corresponding SLD values
+
+ .. note:: This works only for func_shell num = 2 (exp function).
+ """
+ try:
+ x, y = self.p_model.getProfile()
+ except:
+ x = None
+ y = None
+
+ return x, y
+
+ def _set_params(self):
+ """
+ Concatenate the parameters of the two models to create
+ these model parameters
+ """
+
+ for name , value in self.p_model.params.iteritems():
+ if not name in self.params.keys() and name not in self.excluded_params:
+ self.params[name] = value
+
+ for name , value in self.s_model.params.iteritems():
+ #Remove the radius_effective from the (P*S) model parameters.
+ if not name in self.params.keys() and name not in self.excluded_params:
+ self.params[name] = value
+
+ # Set "scale and effec_radius to P and S model as initializing
+ # since run P*S comes from P and S separately.
+ self._set_backgrounds()
+ self._set_scale_factor()
+ self._set_radius_effective()
+
+ def _set_details(self):
+ """
+ Concatenate details of the two models to create
+ this model's details
+ """
+ for name, detail in self.p_model.details.iteritems():
+ if name not in self.excluded_params:
+ self.details[name] = detail
+
+ for name , detail in self.s_model.details.iteritems():
+ if not name in self.details.keys() or name not in self.exluded_params:
+ self.details[name] = detail
+
+ def _set_backgrounds(self):
+ """
+ Set component backgrounds to zero
+ """
+ if 'background' in self.p_model.params:
+ self.p_model.setParam('background',0)
+ if 'background' in self.s_model.params:
+ self.s_model.setParam('background',0)
+
+
+ def _set_scale_factor(self):
+ """
+ Set scale=volfraction for P model
+ """
+ value = self.params['volfraction']
+ if value != None:
+ factor = self.p_model.calculate_VR()
+ if factor == None or factor == NotImplemented or factor == 0.0:
+ val = value
+ else:
+ val = value / factor
+ self.p_model.setParam('scale', value)
+ self.s_model.setParam('volfraction', val)
+
+ def _set_radius_effective(self):
+ """
+ Set effective radius to S(Q) model
+ """
+ if not 'radius_effective' in self.s_model.params.keys():
+ return
+ effective_radius = self.p_model.calculate_ER()
+ #Reset the effective_radius of s_model just before the run
+ if effective_radius != None and effective_radius != NotImplemented:
+ self.s_model.setParam('radius_effective', effective_radius)
+
+ def setParam(self, name, value):
+ """
+ Set the value of a model parameter
+
+ :param name: name of the parameter
+ :param value: value of the parameter
+ """
+ # set param to P*S model
+ self._setParamHelper( name, value)
+
+ ## setParam to p model
+ # set 'scale' in P(Q) equal to volfraction
+ if name == 'volfraction':
+ self._set_scale_factor()
+ elif name in self.p_model.getParamList() and name not in self.excluded_params:
+ self.p_model.setParam( name, value)
+
+ ## setParam to s model
+ # This is a little bit abundant: Todo: find better way
+ self._set_radius_effective()
+ if name in self.s_model.getParamList() and name not in self.excluded_params:
+ if name != 'volfraction':
+ self.s_model.setParam( name, value)
+
+
+ #self._setParamHelper( name, value)
+
+ def _setParamHelper(self, name, value):
+ """
+ Helper function to setparam
+ """
+ # Look for dispersion parameters
+ toks = name.split('.')
+ if len(toks)==2:
+ for item in self.dispersion.keys():
+ if item.lower()==toks[0].lower():
+ for par in self.dispersion[item]:
+ if par.lower() == toks[1].lower():
+ self.dispersion[item][par] = value
+ return
+ else:
+ # Look for standard parameter
+ for item in self.params.keys():
+ if item.lower() == name.lower():
+ self.params[item] = value
+ return
+
+ raise ValueError, "Model does not contain parameter %s" % name
+
+
+ def _set_fixed_params(self):
+ """
+ Fill the self.fixed list with the p_model fixed list
+ """
+ for item in self.p_model.fixed:
+ self.fixed.append(item)
+
+ self.fixed.sort()
+
+
+ def run(self, x = 0.0):
+ """
+ Evaluate the model
+
+ :param x: input q-value (float or [float, float] as [r, theta])
+ :return: (scattering function value)
+ """
+ # set effective radius and scaling factor before run
+ self._set_radius_effective()
+ self._set_scale_factor()
+ return self.params['scale_factor'] * self.p_model.run(x) * \
+ self.s_model.run(x) + self.params['background']
+
+ def runXY(self, x = 0.0):
+ """
+ Evaluate the model
+
+ :param x: input q-value (float or [float, float] as [qx, qy])
+ :return: scattering function value
+ """
+ # set effective radius and scaling factor before run
+ self._set_radius_effective()
+ self._set_scale_factor()
+ out = self.params['scale_factor'] * self.p_model.runXY(x) * \
+ self.s_model.runXY(x) + self.params['background']
+ return out
+
+ ## Now (May27,10) directly uses the model eval function
+ ## instead of the for-loop in Base Component.
+ def evalDistribution(self, x = []):
+ """
+ Evaluate the model in cartesian coordinates
+
+ :param x: input q[], or [qx[], qy[]]
+ :return: scattering function P(q[])
+ """
+ # set effective radius and scaling factor before run
+ self._set_radius_effective()
+ self._set_scale_factor()
+ out = self.params['scale_factor'] * self.p_model.evalDistribution(x) * \
+ self.s_model.evalDistribution(x) + self.params['background']
+ return out
+
+ def set_dispersion(self, parameter, dispersion):
+ """
+ Set the dispersion object for a model parameter
+
+ :param parameter: name of the parameter [string]
+ :dispersion: dispersion object of type DispersionModel
+ """
+ value = None
+ try:
+ if parameter in self.p_model.dispersion.keys():
+ value = self.p_model.set_dispersion(parameter, dispersion)
+ self._set_dispersion()
+ return value
+ except:
+ raise
+
+ def fill_description(self, p_model, s_model):
+ """
+ Fill the description for P(Q)*S(Q)
+ """
+ description = ""
+ description += "Note:1) The radius_effective (effective radius) of %s \n"%\
+ (s_model.name)
+ description += " is automatically calculated "
+ description += "from size parameters (radius...).\n"
+ description += " 2) For non-spherical shape, "
+ description += "this approximation is valid \n"
+ description += " only for limited systems. "
+ description += "Thus, use it at your own risk.\n"
+ description += "See %s description and %s description \n"% \
+ ( p_model.name, s_model.name )
+ description += " for details of individual models."
+ self.description += description
diff --git a/src/sas/sascalc/fit/__init__.py b/src/sas/sascalc/fit/__init__.py
new file mode 100644
index 0000000..03d3745
--- /dev/null
+++ b/src/sas/sascalc/fit/__init__.py
@@ -0,0 +1 @@
+from .AbstractFitEngine import FitHandler
\ No newline at end of file
diff --git a/src/sas/sascalc/fit/expression.py b/src/sas/sascalc/fit/expression.py
new file mode 100644
index 0000000..21bd9dd
--- /dev/null
+++ b/src/sas/sascalc/fit/expression.py
@@ -0,0 +1,400 @@
+# This program is public domain
+"""
+Parameter expression evaluator.
+
+For systems in which constraints are expressed as string expressions rather
+than python code, :func:`compile_constraints` can construct an expression
+evaluator that substitutes the computed values of the expressions into the
+parameters.
+
+The compiler requires a symbol table, an expression set and a context.
+The symbol table maps strings containing fully qualified names such as
+'M1.c[3].full_width' to parameter objects with a 'value' property that
+can be queried and set. The expression set maps symbol names from the
+symbol table to string expressions. The context provides additional symbols
+for the expressions in addition to the usual mathematical functions and
+constants.
+
+The expressions are compiled and interpreted by python, with only minimal
+effort to make sure that they don't contain bad code. The resulting
+constraints function returns 0 so it can be used directly in a fit problem
+definition.
+
+Extracting the symbol table from the model depends on the structure of the
+model. If fitness.parameters() is set correctly, then this should simply
+be a matter of walking the parameter data, remembering the path to each
+parameter in the symbol table. For compactness, dictionary elements should
+be referenced by .name rather than ["name"]. Model name can be used as the
+top level.
+
+Getting the parameter expressions applied correctly is challenging.
+The following monkey patch works by overriding model_update in FitProblem
+so that after setp(p) is called and, the constraints expression can be
+applied before telling the underlying fitness function that the model
+is out of date::
+
+ # Override model update so that parameter constraints are applied
+ problem._model_update = problem.model_update
+ def model_update():
+ constraints()
+ problem._model_update()
+ problem.model_update = model_update
+
+Ideally, this interface will change
+"""
+import math
+import re
+
+# simple pattern which matches symbols. Note that it will also match
+# invalid substrings such as a3...9, but given syntactically correct
+# input it will only match symbols.
+_symbol_pattern = re.compile('([a-zA-Z_][a-zA-Z_0-9.]*)')
+
+def _symbols(expr,symtab):
+ """
+ Given an expression string and a symbol table, return the set of symbols
+ used in the expression. Symbols are only returned once even if they
+ occur multiple times. The return value is a set with the elements in
+ no particular order.
+
+ This is the first step in computing a dependency graph.
+ """
+ matches = [m.group(0) for m in _symbol_pattern.finditer(expr)]
+ return set([symtab[m] for m in matches if m in symtab])
+
+def _substitute(expr,mapping):
+ """
+ Replace all occurrences of symbol s with mapping[s] for s in mapping.
+ """
+ # Find the symbols and the mapping
+ matches = [(m.start(),m.end(),mapping[m.group(1)])
+ for m in _symbol_pattern.finditer(expr)
+ if m.group(1) in mapping]
+
+ # Split the expression in to pieces, with new symbols replacing old
+ pieces = []
+ offset = 0
+ for start,end,text in matches:
+ pieces += [expr[offset:start],text]
+ offset = end
+ pieces.append(expr[offset:])
+
+ # Join the pieces and return them
+ return "".join(pieces)
+
+def _find_dependencies(symtab, exprs):
+ """
+ Returns a list of pair-wise dependencies from the parameter expressions.
+
+ For example, if p3 = p1+p2, then find_dependencies([p1,p2,p3]) will
+ return [(p3,p1),(p3,p2)]. For base expressions without dependencies,
+ such as p4 = 2*pi, this should return [(p4, None)]
+ """
+ deps = [(target,source)
+ for target,expr in exprs.items()
+ for source in _symbols_or_none(expr,symtab)]
+ return deps
+
+# Hack to deal with expressions without dependencies --- return a fake
+# dependency of None.
+# The better solution is fix order_dependencies so that it takes a
+# dictionary of {symbol: dependency_list}, for which no dependencies
+# is simply []; fix in parameter_mapping as well
+def _symbols_or_none(expr,symtab):
+ syms = _symbols(expr,symtab)
+ return syms if len(syms) else [None]
+
+def _parameter_mapping(pairs):
+ """
+ Find the parameter substitution we need so that expressions can
+ be evaluated without having to traverse a chain of
+ model.layer.parameter.value
+ """
+ left,right = zip(*pairs)
+ pars = list(sorted(p for p in set(left+right) if p is not None))
+ definition = dict( ('P%d'%i,p) for i,p in enumerate(pars) )
+ # p is None when there is an expression with no dependencies
+ substitution = dict( (p,'P%d.value'%i)
+ for i,p in enumerate(sorted(pars))
+ if p is not None)
+ return definition, substitution
+
+def no_constraints():
+ """
+ This parameter set has no constraints between the parameters.
+ """
+ pass
+
+def compile_constraints(symtab, exprs, context={}):
+ """
+ Build and return a function to evaluate all parameter expressions in
+ the proper order.
+
+ Input:
+
+ *symtab* is the symbol table for the model: { 'name': parameter }
+
+ *exprs* is the set of computed symbols: { 'name': 'expression' }
+
+ *context* is any additional context needed to evaluate the expression
+
+ Return:
+
+ updater function which sets parameter.value for each expression
+
+ Raises:
+
+ AssertionError - model, parameter or function is missing
+
+ SyntaxError - improper expression syntax
+
+ ValueError - expressions have circular dependencies
+
+ This function is not terribly sophisticated, and it would be easy to
+ trick. However it handles the common cases cleanly and generates
+ reasonable messages for the common errors.
+
+ This code has not been fully audited for security. While we have
+ removed the builtins and the ability to import modules, there may
+ be other vectors for users to perform more than simple function
+ evaluations. Unauthenticated users should not be running this code.
+
+ Parameter names are assumed to contain only _.a-zA-Z0-9#[]
+
+ Both names are provided for inverse functions, e.g., acos and arccos.
+
+ Should try running the function to identify syntax errors before
+ running it in a fit.
+
+ Use help(fn) to see the code generated for the returned function fn.
+ dis.dis(fn) will show the corresponding python vm instructions.
+ """
+
+ # Sort the parameters in the order they need to be evaluated
+ deps = _find_dependencies(symtab, exprs)
+ if deps == []: return no_constraints
+ order = order_dependencies(deps)
+
+
+ # Rather than using the full path to the parameters in the parameter
+ # expressions, instead use Pn, and substitute Pn.value for each occurrence
+ # of the parameter in the expression.
+ names = list(sorted(symtab.keys()))
+ parameters = dict(('P%d'%i, symtab[k]) for i,k in enumerate(names))
+ mapping = dict((k, 'P%d.value'%i) for i,k in enumerate(names))
+
+
+ # Initialize dictionary with available functions
+ globals = {}
+ globals.update(math.__dict__)
+ globals.update(dict(arcsin=math.asin,arccos=math.acos,
+ arctan=math.atan,arctan2=math.atan2))
+ globals.update(context)
+ globals.update(parameters)
+ globals['id'] = id
+ locals = {}
+
+ # Define the constraints function
+ assignments = ["=".join((p,exprs[p])) for p in order]
+ code = [_substitute(s, mapping) for s in assignments]
+ functiondef = """
+def eval_expressions():
+ '''
+ %s
+ '''
+ %s
+ return 0
+"""%("\n ".join(assignments),"\n ".join(code))
+
+ #print("Function: "+functiondef)
+ exec functiondef in globals,locals
+ retfn = locals['eval_expressions']
+
+ # Remove garbage added to globals by exec
+ globals.pop('__doc__',None)
+ globals.pop('__name__',None)
+ globals.pop('__file__',None)
+ globals.pop('__builtins__')
+ #print globals.keys()
+
+ return retfn
+
+def order_dependencies(pairs):
+ """
+ Order elements from pairs so that b comes before a in the
+ ordered list for all pairs (a,b).
+ """
+ #print "order_dependencies",pairs
+ emptyset = set()
+ order = []
+
+ # Break pairs into left set and right set
+ left,right = [set(s) for s in zip(*pairs)] if pairs != [] else ([],[])
+ while pairs != []:
+ #print "within",pairs
+ # Find which items only occur on the right
+ independent = right - left
+ if independent == emptyset:
+ cycleset = ", ".join(str(s) for s in left)
+ raise ValueError,"Cyclic dependencies amongst %s"%cycleset
+
+ # The possibly resolvable items are those that depend on the independents
+ dependent = set([a for a,b in pairs if b in independent])
+ pairs = [(a,b) for a,b in pairs if b not in independent]
+ if pairs == []:
+ resolved = dependent
+ else:
+ left,right = [set(s) for s in zip(*pairs)]
+ resolved = dependent - left
+ #print "independent",independent,"dependent",dependent,"resolvable",resolved
+ order += resolved
+ #print "new order",order
+ order.reverse()
+ return order
+
+# ========= Test code ========
+def _check(msg,pairs):
+ """
+ Verify that the list n contains the given items, and that the list
+ satisfies the partial ordering given by the pairs in partial order.
+ """
+ left,right = zip(*pairs) if pairs != [] else ([],[])
+ items = set(left)
+ n = order_dependencies(pairs)
+ if set(n) != items or len(n) != len(items):
+ n.sort()
+ items = list(items); items.sort()
+ raise Exception,"%s expect %s to contain %s for %s"%(msg,n,items,pairs)
+ for lo,hi in pairs:
+ if lo in n and hi in n and n.index(lo) >= n.index(hi):
+ raise Exception,"%s expect %s before %s in %s for %s"%(msg,lo,hi,n,pairs)
+
+def test_deps():
+ import numpy
+
+ # Null case
+ _check("test empty",[])
+
+ # Some dependencies
+ _check("test1",[(2,7),(1,5),(1,4),(2,1),(3,1),(5,6)])
+ _check("test1 renumbered",[(6,1),(7,3),(7,4),(6,7),(5,7),(3,2)])
+ _check("test1 numpy",numpy.array([(2,7),(1,5),(1,4),(2,1),(3,1),(5,6)]))
+
+ # No dependencies
+ _check("test2",[(4,1),(3,2),(8,4)])
+
+ # Cycle test
+ pairs = [(1,4),(4,3),(4,5),(5,1)]
+ try: n = order_dependencies(pairs)
+ except ValueError: pass
+ else: raise Exception,"test3 expect ValueError exception for %s"%(pairs,)
+
+ # large test for gross speed check
+ A = numpy.random.randint(4000,size=(1000,2))
+ A[:,1] += 4000 # Avoid cycles
+ _check("test-large",A)
+
+ # depth tests
+ k = 200
+ A = numpy.array([range(0,k),range(1,k+1)]).T
+ _check("depth-1",A)
+
+ A = numpy.array([range(1,k+1),range(0,k)]).T
+ _check("depth-2",A)
+
+def test_expr():
+ import inspect, dis
+ import math
+
+ symtab = {'a.b.x':1, 'a.c':2, 'a.b':3, 'b.x':4}
+ expr = 'a.b.x + sin(4*pi*a.c) + a.b.x/a.b'
+
+ # Check symbol lookup
+ assert _symbols(expr, symtab) == set([1,2,3])
+
+ # Check symbol rename
+ assert _substitute(expr,{'a.b.x':'Q'}) == 'Q + sin(4*pi*a.c) + Q/a.b'
+ assert _substitute(expr,{'a.b':'Q'}) == 'a.b.x + sin(4*pi*a.c) + a.b.x/Q'
+
+
+ # Check dependency builder
+ # Fake parameter class
+ class Parameter:
+ def __init__(self, name, value=0, expression=''):
+ self.path = name
+ self.value = value
+ self.expression = expression
+ def iscomputed(self): return (self.expression != '')
+ def __repr__(self): return self.path
+ def world(*pars):
+ symtab = dict((p.path,p) for p in pars)
+ exprs = dict((p.path,p.expression) for p in pars if p.iscomputed())
+ return symtab, exprs
+ p1 = Parameter('G0.sigma',5)
+ p2 = Parameter('other',expression='2*pi*sin(G0.sigma/.1875) + M1.G1')
+ p3 = Parameter('M1.G1',6)
+ p4 = Parameter('constant',expression='2*pi*35')
+ # Simple chain
+ assert set(_find_dependencies(*world(p1,p2,p3))) == set([(p2.path,p1),(p2.path,p3)])
+ # Constant expression
+ assert set(_find_dependencies(*world(p1,p4))) == set([(p4.path,None)])
+ # No dependencies
+ assert set(_find_dependencies(*world(p1,p3))) == set([])
+
+ # Check function builder
+ fn = compile_constraints(*world(p1,p2,p3))
+
+ # Inspect the resulting function
+ if 0:
+ print(inspect.getdoc(fn))
+ print(dis.dis(fn))
+
+ # Evaluate the function and see if it updates the
+ # target value as expected
+ fn()
+ expected = 2*math.pi*math.sin(5/.1875) + 6
+ assert p2.value == expected,"Value was %s, not %s"%(p2.value,expected)
+
+ # Check empty dependency set doesn't crash
+ fn = compile_constraints(*world(p1,p3))
+ fn()
+
+ # Check that constants are evaluated properly
+ fn = compile_constraints(*world(p4))
+ fn()
+ assert p4.value == 2*math.pi*35
+
+ # Check additional context example; this also tests multiple
+ # expressions
+ class Table:
+ Si = 2.09
+ values = {'Si': 2.07}
+ tbl = Table()
+ p5 = Parameter('lookup',expression="tbl.Si")
+ fn = compile_constraints(*world(p1,p2,p3,p5),context=dict(tbl=tbl))
+ fn()
+ assert p5.value == 2.09,"Value for %s was %s"%(p5.expression,p5.value)
+ p5.expression = "tbl.values['Si']"
+ fn = compile_constraints(*world(p1,p2,p3,p5),context=dict(tbl=tbl))
+ fn()
+ assert p5.value == 2.07,"Value for %s was %s"%(p5.expression,p5.value)
+
+
+ # Verify that we capture invalid expressions
+ for expr in ['G4.cage', 'M0.cage', 'M1.G1 + *2',
+ 'piddle',
+ '5; import sys; print "p0wned"',
+ '__import__("sys").argv']:
+ try:
+ p6 = Parameter('broken',expression=expr)
+ fn = compile_constraints(*world(p6))
+ fn()
+ except Exception as msg:
+ #print(msg)
+ pass
+ else:
+ raise "Failed to raise error for %s"%expr
+
+if __name__ == "__main__":
+ test_expr()
+ test_deps()
diff --git a/src/sas/sascalc/fit/pluginmodel.py b/src/sas/sascalc/fit/pluginmodel.py
new file mode 100644
index 0000000..fe29f65
--- /dev/null
+++ b/src/sas/sascalc/fit/pluginmodel.py
@@ -0,0 +1,66 @@
+from sas.sascalc.calculator.BaseComponent import BaseComponent
+import math
+
+class Model1DPlugin(BaseComponent):
+ is_multiplicity_model = False
+
+ ## Name of the model
+
+ def __init__(self , name="Plugin Model" ):
+ """ Initialization """
+ BaseComponent.__init__(self)
+ self.name = name
+ self.details = {}
+ self.params = {}
+ self.description = 'plugin model'
+
+ def function(self, x):
+ """
+ Function to be implemented by the plug-in writer
+ """
+ return x
+
+ def run(self, x = 0.0):
+ """
+ Evaluate the model
+
+ :param x: input x, or [x, phi] [radian]
+
+ :return: function value
+
+ """
+ if x.__class__.__name__ == 'list':
+ x_val = x[0]*math.cos(x[1])
+ y_val = x[0]*math.sin(x[1])
+ return self.function(x_val)*self.function(y_val)
+ elif x.__class__.__name__ == 'tuple':
+ raise ValueError, "Tuples are not allowed as input to BaseComponent models"
+ else:
+ return self.function(x)
+
+
+ def runXY(self, x = 0.0):
+ """
+ Evaluate the model
+
+ :param x: input x, or [x, y]
+
+ :return: function value
+
+ """
+ if x.__class__.__name__ == 'list':
+ return self.function(x[0])*self.function(x[1])
+ elif x.__class__.__name__ == 'tuple':
+ raise ValueError, "Tuples are not allowed as input to BaseComponent models"
+ else:
+ return self.function(x)
+
+ def set_details(self):
+ """
+ Set default details
+ """
+ if not self.params:
+ return {}
+
+ for key in self.params.keys():
+ self.details[key] = ['', None, None]
\ No newline at end of file
diff --git a/src/sas/sascalc/invariant/__init__.py b/src/sas/sascalc/invariant/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/invariant/invariant.py b/src/sas/sascalc/invariant/invariant.py
new file mode 100644
index 0000000..13d53f7
--- /dev/null
+++ b/src/sas/sascalc/invariant/invariant.py
@@ -0,0 +1,962 @@
+# pylint: disable=invalid-name
+#####################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#See the license text in license.txt
+#copyright 2010, University of Tennessee
+######################################################################
+
+"""
+This module implements invariant and its related computations.
+
+:author: Gervaise B. Alina/UTK
+:author: Mathieu Doucet/UTK
+:author: Jae Cho/UTK
+
+"""
+import math
+import numpy
+
+from sas.sascalc.dataloader.data_info import Data1D as LoaderData1D
+
+# The minimum q-value to be used when extrapolating
+Q_MINIMUM = 1e-5
+
+# The maximum q-value to be used when extrapolating
+Q_MAXIMUM = 10
+
+# Number of steps in the extrapolation
+INTEGRATION_NSTEPS = 1000
+
+class Transform(object):
+ """
+ Define interface that need to compute a function or an inverse
+ function given some x, y
+ """
+
+ def linearize_data(self, data):
+ """
+ Linearize data so that a linear fit can be performed.
+ Filter out the data that can't be transformed.
+
+ :param data: LoadData1D instance
+
+ """
+ # Check that the vector lengths are equal
+ assert len(data.x) == len(data.y)
+ if data.dy is not None:
+ assert len(data.x) == len(data.dy)
+ dy = data.dy
+ else:
+ dy = numpy.ones(len(data.y))
+
+ # Transform the data
+ data_points = zip(data.x, data.y, dy)
+
+ output_points = [(self.linearize_q_value(p[0]),
+ math.log(p[1]),
+ p[2] / p[1]) for p in data_points if p[0] > 0 and \
+ p[1] > 0 and p[2] > 0]
+
+ x_out, y_out, dy_out = zip(*output_points)
+
+ # Create Data1D object
+ x_out = numpy.asarray(x_out)
+ y_out = numpy.asarray(y_out)
+ dy_out = numpy.asarray(dy_out)
+ linear_data = LoaderData1D(x=x_out, y=y_out, dy=dy_out)
+
+ return linear_data
+
+ def get_allowed_bins(self, data):
+ """
+ Goes through the data points and returns a list of boolean values
+ to indicate whether each points is allowed by the model or not.
+
+ :param data: Data1D object
+ """
+ return [p[0] > 0 and p[1] > 0 and p[2] > 0 for p in zip(data.x, data.y,
+ data.dy)]
+
+ def linearize_q_value(self, value):
+ """
+ Transform the input q-value for linearization
+ """
+ return NotImplemented
+
+ def extract_model_parameters(self, constant, slope, dconstant=0, dslope=0):
+ """
+ set private member
+ """
+ return NotImplemented
+
+ def evaluate_model(self, x):
+ """
+ Returns an array f(x) values where f is the Transform function.
+ """
+ return NotImplemented
+
+ def evaluate_model_errors(self, x):
+ """
+ Returns an array of I(q) errors
+ """
+ return NotImplemented
+
+class Guinier(Transform):
+ """
+ class of type Transform that performs operations related to guinier
+ function
+ """
+ def __init__(self, scale=1, radius=60):
+ Transform.__init__(self)
+ self.scale = scale
+ self.radius = radius
+ ## Uncertainty of scale parameter
+ self.dscale = 0
+ ## Unvertainty of radius parameter
+ self.dradius = 0
+
+ def linearize_q_value(self, value):
+ """
+ Transform the input q-value for linearization
+
+ :param value: q-value
+
+ :return: q*q
+ """
+ return value * value
+
+ def extract_model_parameters(self, constant, slope, dconstant=0, dslope=0):
+ """
+ assign new value to the scale and the radius
+ """
+ self.scale = math.exp(constant)
+ if slope > 0:
+ slope = 0.0
+ self.radius = math.sqrt(-3 * slope)
+ # Errors
+ self.dscale = math.exp(constant) * dconstant
+ if slope == 0.0:
+ n_zero = -1.0e-24
+ self.dradius = -3.0 / 2.0 / math.sqrt(-3 * n_zero) * dslope
+ else:
+ self.dradius = -3.0 / 2.0 / math.sqrt(-3 * slope) * dslope
+
+ return [self.radius, self.scale], [self.dradius, self.dscale]
+
+ def evaluate_model(self, x):
+ """
+ return F(x)= scale* e-((radius*x)**2/3)
+ """
+ return self._guinier(x)
+
+ def evaluate_model_errors(self, x):
+ """
+ Returns the error on I(q) for the given array of q-values
+
+ :param x: array of q-values
+ """
+ p1 = numpy.array([self.dscale * math.exp(-((self.radius * q) ** 2 / 3)) \
+ for q in x])
+ p2 = numpy.array([self.scale * math.exp(-((self.radius * q) ** 2 / 3))\
+ * (-(q ** 2 / 3)) * 2 * self.radius * self.dradius for q in x])
+ diq2 = p1 * p1 + p2 * p2
+ return numpy.array([math.sqrt(err) for err in diq2])
+
+ def _guinier(self, x):
+ """
+ Retrieve the guinier function after apply an inverse guinier function
+ to x
+ Compute a F(x) = scale* e-((radius*x)**2/3).
+
+ :param x: a vector of q values
+ :param scale: the scale value
+ :param radius: the guinier radius value
+
+ :return: F(x)
+ """
+ # transform the radius of coming from the inverse guinier function to a
+ # a radius of a guinier function
+ if self.radius <= 0:
+ msg = "Rg expected positive value, but got %s" % self.radius
+ raise ValueError(msg)
+ value = numpy.array([math.exp(-((self.radius * i) ** 2 / 3)) for i in x])
+ return self.scale * value
+
+class PowerLaw(Transform):
+ """
+ class of type transform that perform operation related to power_law
+ function
+ """
+ def __init__(self, scale=1, power=4):
+ Transform.__init__(self)
+ self.scale = scale
+ self.power = power
+ self.dscale = 0.0
+ self.dpower = 0.0
+
+ def linearize_q_value(self, value):
+ """
+ Transform the input q-value for linearization
+
+ :param value: q-value
+
+ :return: log(q)
+ """
+ return math.log(value)
+
+ def extract_model_parameters(self, constant, slope, dconstant=0, dslope=0):
+ """
+ Assign new value to the scale and the power
+ """
+ self.power = -slope
+ self.scale = math.exp(constant)
+
+ # Errors
+ self.dscale = math.exp(constant) * dconstant
+ self.dpower = -dslope
+
+ return [self.power, self.scale], [self.dpower, self.dscale]
+
+ def evaluate_model(self, x):
+ """
+ given a scale and a radius transform x, y using a power_law
+ function
+ """
+ return self._power_law(x)
+
+ def evaluate_model_errors(self, x):
+ """
+ Returns the error on I(q) for the given array of q-values
+ :param x: array of q-values
+ """
+ p1 = numpy.array([self.dscale * math.pow(q, -self.power) for q in x])
+ p2 = numpy.array([self.scale * self.power * math.pow(q, -self.power - 1)\
+ * self.dpower for q in x])
+ diq2 = p1 * p1 + p2 * p2
+ return numpy.array([math.sqrt(err) for err in diq2])
+
+ def _power_law(self, x):
+ """
+ F(x) = scale* (x)^(-power)
+ when power= 4. the model is porod
+ else power_law
+ The model has three parameters: ::
+ 1. x: a vector of q values
+ 2. power: power of the function
+ 3. scale : scale factor value
+
+ :param x: array
+ :return: F(x)
+ """
+ if self.power <= 0:
+ msg = "Power_law function expected positive power,"
+ msg += " but got %s" % self.power
+ raise ValueError(msg)
+ if self.scale <= 0:
+ msg = "scale expected positive value, but got %s" % self.scale
+ raise ValueError(msg)
+
+ value = numpy.array([math.pow(i, -self.power) for i in x])
+ return self.scale * value
+
+class Extrapolator(object):
+ """
+ Extrapolate I(q) distribution using a given model
+ """
+ def __init__(self, data, model=None):
+ """
+ Determine a and b given a linear equation y = ax + b
+
+ If a model is given, it will be used to linearize the data before
+ the extrapolation is performed. If None,
+ a simple linear fit will be done.
+
+ :param data: data containing x and y such as y = ax + b
+ :param model: optional Transform object
+ """
+ self.data = data
+ self.model = model
+
+ # Set qmin as the lowest non-zero value
+ self.qmin = Q_MINIMUM
+ for q_value in self.data.x:
+ if q_value > 0:
+ self.qmin = q_value
+ break
+ self.qmax = max(self.data.x)
+
+ def fit(self, power=None, qmin=None, qmax=None):
+ """
+ Fit data for y = ax + b return a and b
+
+ :param power: a fixed, otherwise None
+ :param qmin: Minimum Q-value
+ :param qmax: Maximum Q-value
+ """
+ if qmin is None:
+ qmin = self.qmin
+ if qmax is None:
+ qmax = self.qmax
+
+ # Identify the bin range for the fit
+ idx = (self.data.x >= qmin) & (self.data.x <= qmax)
+
+ fx = numpy.zeros(len(self.data.x))
+
+ # Uncertainty
+ if type(self.data.dy) == numpy.ndarray and \
+ len(self.data.dy) == len(self.data.x) and \
+ numpy.all(self.data.dy > 0):
+ sigma = self.data.dy
+ else:
+ sigma = numpy.ones(len(self.data.x))
+
+ # Compute theory data f(x)
+ fx[idx] = self.data.y[idx]
+
+ # Linearize the data
+ if self.model is not None:
+ linearized_data = self.model.linearize_data(\
+ LoaderData1D(self.data.x[idx],
+ fx[idx],
+ dy=sigma[idx]))
+ else:
+ linearized_data = LoaderData1D(self.data.x[idx],
+ fx[idx],
+ dy=sigma[idx])
+
+ ##power is given only for function = power_law
+ if power != None:
+ sigma2 = linearized_data.dy * linearized_data.dy
+ a = -(power)
+ b = (numpy.sum(linearized_data.y / sigma2) \
+ - a * numpy.sum(linearized_data.x / sigma2)) / numpy.sum(1.0 / sigma2)
+
+
+ deltas = linearized_data.x * a + \
+ numpy.ones(len(linearized_data.x)) * b - linearized_data.y
+ residuals = numpy.sum(deltas * deltas / sigma2)
+
+ err = math.fabs(residuals) / numpy.sum(1.0 / sigma2)
+ return [a, b], [0, math.sqrt(err)]
+ else:
+ A = numpy.vstack([linearized_data.x / linearized_data.dy, 1.0 / linearized_data.dy]).T
+ (p, residuals, _, _) = numpy.linalg.lstsq(A, linearized_data.y / linearized_data.dy)
+
+ # Get the covariance matrix, defined as inv_cov = a_transposed * a
+ err = numpy.zeros(2)
+ try:
+ inv_cov = numpy.dot(A.transpose(), A)
+ cov = numpy.linalg.pinv(inv_cov)
+ err_matrix = math.fabs(residuals) * cov
+ err = [math.sqrt(err_matrix[0][0]), math.sqrt(err_matrix[1][1])]
+ except:
+ err = [-1.0, -1.0]
+
+ return p, err
+
+
+class InvariantCalculator(object):
+ """
+ Compute invariant if data is given.
+ Can provide volume fraction and surface area if the user provides
+ Porod constant and contrast values.
+
+ :precondition: the user must send a data of type DataLoader.Data1D
+ the user provide background and scale values.
+
+ :note: Some computations depends on each others.
+ """
+ def __init__(self, data, background=0, scale=1):
+ """
+ Initialize variables.
+
+ :param data: data must be of type DataLoader.Data1D
+ :param background: Background value. The data will be corrected
+ before processing
+ :param scale: Scaling factor for I(q). The data will be corrected
+ before processing
+ """
+ # Background and scale should be private data member if the only way to
+ # change them are by instantiating a new object.
+ self._background = background
+ self._scale = scale
+ # slit height for smeared data
+ self._smeared = None
+ # The data should be private
+ self._data = self._get_data(data)
+ # get the dxl if the data is smeared: This is done only once on init.
+ if self._data.dxl != None and self._data.dxl.all() > 0:
+ # assumes constant dxl
+ self._smeared = self._data.dxl[0]
+
+ # Since there are multiple variants of Q*, you should force the
+ # user to use the get method and keep Q* a private data member
+ self._qstar = None
+
+ # You should keep the error on Q* so you can reuse it without
+ # recomputing the whole thing.
+ self._qstar_err = 0
+
+ # Extrapolation parameters
+ self._low_extrapolation_npts = 4
+ self._low_extrapolation_function = Guinier()
+ self._low_extrapolation_power = None
+ self._low_extrapolation_power_fitted = None
+
+ self._high_extrapolation_npts = 4
+ self._high_extrapolation_function = PowerLaw()
+ self._high_extrapolation_power = None
+ self._high_extrapolation_power_fitted = None
+
+ # Extrapolation range
+ self._low_q_limit = Q_MINIMUM
+
+ def _get_data(self, data):
+ """
+ :note: this function must be call before computing any type
+ of invariant
+
+ :return: new data = self._scale *data - self._background
+ """
+ if not issubclass(data.__class__, LoaderData1D):
+ #Process only data that inherited from DataLoader.Data_info.Data1D
+ raise ValueError, "Data must be of type DataLoader.Data1D"
+ #from copy import deepcopy
+ new_data = (self._scale * data) - self._background
+
+ # Check that the vector lengths are equal
+ assert len(new_data.x) == len(new_data.y)
+
+ # Verify that the errors are set correctly
+ if new_data.dy is None or len(new_data.x) != len(new_data.dy) or \
+ (min(new_data.dy) == 0 and max(new_data.dy) == 0):
+ new_data.dy = numpy.ones(len(new_data.x))
+ return new_data
+
+ def _fit(self, model, qmin=Q_MINIMUM, qmax=Q_MAXIMUM, power=None):
+ """
+ fit data with function using
+ data = self._get_data()
+ fx = Functor(data , function)
+ y = data.y
+ slope, constant = linalg.lstsq(y,fx)
+
+ :param qmin: data first q value to consider during the fit
+ :param qmax: data last q value to consider during the fit
+ :param power : power value to consider for power-law
+ :param function: the function to use during the fit
+
+ :return a: the scale of the function
+ :return b: the other parameter of the function for guinier will be radius
+ for power_law will be the power value
+ """
+ extrapolator = Extrapolator(data=self._data, model=model)
+ p, dp = extrapolator.fit(power=power, qmin=qmin, qmax=qmax)
+
+ return model.extract_model_parameters(constant=p[1], slope=p[0],
+ dconstant=dp[1], dslope=dp[0])
+
+ def _get_qstar(self, data):
+ """
+ Compute invariant for pinhole data.
+ This invariant is given by: ::
+
+ q_star = x0**2 *y0 *dx0 +x1**2 *y1 *dx1
+ + ..+ xn**2 *yn *dxn for non smeared data
+
+ q_star = dxl0 *x0 *y0 *dx0 +dxl1 *x1 *y1 *dx1
+ + ..+ dlxn *xn *yn *dxn for smeared data
+
+ where n >= len(data.x)-1
+ dxl = slit height dQl
+ dxi = 1/2*(xi+1 - xi) + (xi - xi-1)
+ dx0 = (x1 - x0)/2
+ dxn = (xn - xn-1)/2
+
+ :param data: the data to use to compute invariant.
+
+ :return q_star: invariant value for pinhole data. q_star > 0
+ """
+ if len(data.x) <= 1 or len(data.y) <= 1 or len(data.x) != len(data.y):
+ msg = "Length x and y must be equal"
+ msg += " and greater than 1; got x=%s, y=%s" % (len(data.x), len(data.y))
+ raise ValueError, msg
+ else:
+ # Take care of smeared data
+ if self._smeared is None:
+ gx = data.x * data.x
+ # assumes that len(x) == len(dxl).
+ else:
+ gx = data.dxl * data.x
+
+ n = len(data.x) - 1
+ #compute the first delta q
+ dx0 = (data.x[1] - data.x[0]) / 2
+ #compute the last delta q
+ dxn = (data.x[n] - data.x[n - 1]) / 2
+ total = 0
+ total += gx[0] * data.y[0] * dx0
+ total += gx[n] * data.y[n] * dxn
+
+ if len(data.x) == 2:
+ return total
+ else:
+ #iterate between for element different
+ #from the first and the last
+ for i in xrange(1, n - 1):
+ dxi = (data.x[i + 1] - data.x[i - 1]) / 2
+ total += gx[i] * data.y[i] * dxi
+ return total
+
+ def _get_qstar_uncertainty(self, data):
+ """
+ Compute invariant uncertainty with with pinhole data.
+ This uncertainty is given as follow: ::
+
+ dq_star = math.sqrt[(x0**2*(dy0)*dx0)**2 +
+ (x1**2 *(dy1)*dx1)**2 + ..+ (xn**2 *(dyn)*dxn)**2 ]
+ where n >= len(data.x)-1
+ dxi = 1/2*(xi+1 - xi) + (xi - xi-1)
+ dx0 = (x1 - x0)/2
+ dxn = (xn - xn-1)/2
+ dyn: error on dy
+
+ :param data:
+ :note: if data doesn't contain dy assume dy= math.sqrt(data.y)
+ """
+ if len(data.x) <= 1 or len(data.y) <= 1 or \
+ len(data.x) != len(data.y) or \
+ (data.dy is not None and (len(data.dy) != len(data.y))):
+ msg = "Length of data.x and data.y must be equal"
+ msg += " and greater than 1; got x=%s, y=%s" % (len(data.x), len(data.y))
+ raise ValueError, msg
+ else:
+ #Create error for data without dy error
+ if data.dy is None:
+ dy = math.sqrt(data.y)
+ else:
+ dy = data.dy
+ # Take care of smeared data
+ if self._smeared is None:
+ gx = data.x * data.x
+ # assumes that len(x) == len(dxl).
+ else:
+ gx = data.dxl * data.x
+
+ n = len(data.x) - 1
+ #compute the first delta
+ dx0 = (data.x[1] - data.x[0]) / 2
+ #compute the last delta
+ dxn = (data.x[n] - data.x[n - 1]) / 2
+ total = 0
+ total += (gx[0] * dy[0] * dx0) ** 2
+ total += (gx[n] * dy[n] * dxn) ** 2
+ if len(data.x) == 2:
+ return math.sqrt(total)
+ else:
+ #iterate between for element different
+ #from the first and the last
+ for i in xrange(1, n - 1):
+ dxi = (data.x[i + 1] - data.x[i - 1]) / 2
+ total += (gx[i] * dy[i] * dxi) ** 2
+ return math.sqrt(total)
+
+ def _get_extrapolated_data(self, model, npts=INTEGRATION_NSTEPS,
+ q_start=Q_MINIMUM, q_end=Q_MAXIMUM):
+ """
+ :return: extrapolate data create from data
+ """
+ #create new Data1D to compute the invariant
+ q = numpy.linspace(start=q_start,
+ stop=q_end,
+ num=npts,
+ endpoint=True)
+ iq = model.evaluate_model(q)
+ diq = model.evaluate_model_errors(q)
+
+ result_data = LoaderData1D(x=q, y=iq, dy=diq)
+ if self._smeared != None:
+ result_data.dxl = self._smeared * numpy.ones(len(q))
+ return result_data
+
+ def get_data(self):
+ """
+ :return: self._data
+ """
+ return self._data
+
+ def get_extrapolation_power(self, range='high'):
+ """
+ :return: the fitted power for power law function for a given
+ extrapolation range
+ """
+ if range == 'low':
+ return self._low_extrapolation_power_fitted
+ return self._high_extrapolation_power_fitted
+
+ def get_qstar_low(self):
+ """
+ Compute the invariant for extrapolated data at low q range.
+
+ Implementation:
+ data = self._get_extra_data_low()
+ return self._get_qstar()
+
+ :return q_star: the invariant for data extrapolated at low q.
+ """
+ # Data boundaries for fitting
+ qmin = self._data.x[0]
+ qmax = self._data.x[self._low_extrapolation_npts - 1]
+
+ # Extrapolate the low-Q data
+ p, _ = self._fit(model=self._low_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=self._low_extrapolation_power)
+ self._low_extrapolation_power_fitted = p[0]
+
+ # Distribution starting point
+ self._low_q_limit = Q_MINIMUM
+ if Q_MINIMUM >= qmin:
+ self._low_q_limit = qmin / 10
+
+ data = self._get_extrapolated_data(\
+ model=self._low_extrapolation_function,
+ npts=INTEGRATION_NSTEPS,
+ q_start=self._low_q_limit, q_end=qmin)
+
+ # Systematic error
+ # If we have smearing, the shape of the I(q) distribution at low Q will
+ # may not be a Guinier or simple power law. The following is
+ # a conservative estimation for the systematic error.
+ err = qmin * qmin * math.fabs((qmin - self._low_q_limit) * \
+ (data.y[0] - data.y[INTEGRATION_NSTEPS - 1]))
+ return self._get_qstar(data), self._get_qstar_uncertainty(data) + err
+
+ def get_qstar_high(self):
+ """
+ Compute the invariant for extrapolated data at high q range.
+
+ Implementation:
+ data = self._get_extra_data_high()
+ return self._get_qstar()
+
+ :return q_star: the invariant for data extrapolated at high q.
+ """
+ # Data boundaries for fitting
+ x_len = len(self._data.x) - 1
+ qmin = self._data.x[x_len - (self._high_extrapolation_npts - 1)]
+ qmax = self._data.x[x_len]
+
+ # fit the data with a model to get the appropriate parameters
+ p, _ = self._fit(model=self._high_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=self._high_extrapolation_power)
+ self._high_extrapolation_power_fitted = p[0]
+
+ #create new Data1D to compute the invariant
+ data = self._get_extrapolated_data(\
+ model=self._high_extrapolation_function,
+ npts=INTEGRATION_NSTEPS,
+ q_start=qmax, q_end=Q_MAXIMUM)
+
+ return self._get_qstar(data), self._get_qstar_uncertainty(data)
+
+ def get_extra_data_low(self, npts_in=None, q_start=None, npts=20):
+ """
+ Returns the extrapolated data used for the loew-Q invariant calculation.
+ By default, the distribution will cover the data points used for the
+ extrapolation. The number of overlap points is a parameter (npts_in).
+ By default, the maximum q-value of the distribution will be
+ the minimum q-value used when extrapolating for the purpose of the
+ invariant calculation.
+
+ :param npts_in: number of data points for which
+ the extrapolated data overlap
+ :param q_start: is the minimum value to uses for extrapolated data
+ :param npts: the number of points in the extrapolated distribution
+
+ """
+ # Get extrapolation range
+ if q_start is None:
+ q_start = self._low_q_limit
+
+ if npts_in is None:
+ npts_in = self._low_extrapolation_npts
+ q_end = self._data.x[max(0, npts_in - 1)]
+
+ if q_start >= q_end:
+ return numpy.zeros(0), numpy.zeros(0)
+
+ return self._get_extrapolated_data(\
+ model=self._low_extrapolation_function,
+ npts=npts,
+ q_start=q_start, q_end=q_end)
+
+ def get_extra_data_high(self, npts_in=None, q_end=Q_MAXIMUM, npts=20):
+ """
+ Returns the extrapolated data used for the high-Q invariant calculation.
+ By default, the distribution will cover the data points used for the
+ extrapolation. The number of overlap points is a parameter (npts_in).
+ By default, the maximum q-value of the distribution will be Q_MAXIMUM,
+ the maximum q-value used when extrapolating for the purpose of the
+ invariant calculation.
+
+ :param npts_in: number of data points for which the
+ extrapolated data overlap
+ :param q_end: is the maximum value to uses for extrapolated data
+ :param npts: the number of points in the extrapolated distribution
+ """
+ # Get extrapolation range
+ if npts_in is None:
+ npts_in = self._high_extrapolation_npts
+ _npts = len(self._data.x)
+ q_start = self._data.x[min(_npts, _npts - npts_in)]
+
+ if q_start >= q_end:
+ return numpy.zeros(0), numpy.zeros(0)
+
+ return self._get_extrapolated_data(\
+ model=self._high_extrapolation_function,
+ npts=npts,
+ q_start=q_start, q_end=q_end)
+
+ def set_extrapolation(self, range, npts=4, function=None, power=None):
+ """
+ Set the extrapolation parameters for the high or low Q-range.
+ Note that this does not turn extrapolation on or off.
+
+ :param range: a keyword set the type of extrapolation . type string
+ :param npts: the numbers of q points of data to consider
+ for extrapolation
+ :param function: a keyword to select the function to use
+ for extrapolation.
+ of type string.
+ :param power: an power to apply power_low function
+
+ """
+ range = range.lower()
+ if range not in ['high', 'low']:
+ raise ValueError, "Extrapolation range should be 'high' or 'low'"
+ function = function.lower()
+ if function not in ['power_law', 'guinier']:
+ msg = "Extrapolation function should be 'guinier' or 'power_law'"
+ raise ValueError, msg
+
+ if range == 'high':
+ if function != 'power_law':
+ msg = "Extrapolation only allows a power law at high Q"
+ raise ValueError, msg
+ self._high_extrapolation_npts = npts
+ self._high_extrapolation_power = power
+ self._high_extrapolation_power_fitted = power
+ else:
+ if function == 'power_law':
+ self._low_extrapolation_function = PowerLaw()
+ else:
+ self._low_extrapolation_function = Guinier()
+ self._low_extrapolation_npts = npts
+ self._low_extrapolation_power = power
+ self._low_extrapolation_power_fitted = power
+
+ def get_qstar(self, extrapolation=None):
+ """
+ Compute the invariant of the local copy of data.
+
+ :param extrapolation: string to apply optional extrapolation
+
+ :return q_star: invariant of the data within data's q range
+
+ :warning: When using setting data to Data1D ,
+ the user is responsible of
+ checking that the scale and the background are
+ properly apply to the data
+
+ """
+ self._qstar = self._get_qstar(self._data)
+ self._qstar_err = self._get_qstar_uncertainty(self._data)
+
+ if extrapolation is None:
+ return self._qstar
+
+ # Compute invariant plus invariant of extrapolated data
+ extrapolation = extrapolation.lower()
+ if extrapolation == "low":
+ qs_low, dqs_low = self.get_qstar_low()
+ qs_hi, dqs_hi = 0, 0
+
+ elif extrapolation == "high":
+ qs_low, dqs_low = 0, 0
+ qs_hi, dqs_hi = self.get_qstar_high()
+
+ elif extrapolation == "both":
+ qs_low, dqs_low = self.get_qstar_low()
+ qs_hi, dqs_hi = self.get_qstar_high()
+
+ self._qstar += qs_low + qs_hi
+ self._qstar_err = math.sqrt(self._qstar_err * self._qstar_err \
+ + dqs_low * dqs_low + dqs_hi * dqs_hi)
+
+ return self._qstar
+
+ def get_surface(self, contrast, porod_const, extrapolation=None):
+ """
+ Compute the specific surface from the data.
+
+ Implementation::
+
+ V = self.get_volume_fraction(contrast, extrapolation)
+
+ Compute the surface given by:
+ surface = (2*pi *V(1- V)*porod_const)/ q_star
+
+ :param contrast: contrast value to compute the volume
+ :param porod_const: Porod constant to compute the surface
+ :param extrapolation: string to apply optional extrapolation
+
+ :return: specific surface
+ """
+ # Compute the volume
+ volume = self.get_volume_fraction(contrast, extrapolation)
+ return 2 * math.pi * volume * (1 - volume) * \
+ float(porod_const) / self._qstar
+
+ def get_volume_fraction(self, contrast, extrapolation=None):
+ """
+ Compute volume fraction is deduced as follow: ::
+
+ q_star = 2*(pi*contrast)**2* volume( 1- volume)
+ for k = 10^(-8)*q_star/(2*(pi*|contrast|)**2)
+ we get 2 values of volume:
+ with 1 - 4 * k >= 0
+ volume1 = (1- sqrt(1- 4*k))/2
+ volume2 = (1+ sqrt(1- 4*k))/2
+
+ q_star: the invariant value included extrapolation is applied
+ unit 1/A^(3)*1/cm
+ q_star = self.get_qstar()
+
+ the result returned will be 0 <= volume <= 1
+
+ :param contrast: contrast value provides by the user of type float.
+ contrast unit is 1/A^(2)= 10^(16)cm^(2)
+ :param extrapolation: string to apply optional extrapolation
+
+ :return: volume fraction
+
+ :note: volume fraction must have no unit
+ """
+ if contrast <= 0:
+ raise ValueError, "The contrast parameter must be greater than zero"
+
+ # Make sure Q star is up to date
+ self.get_qstar(extrapolation)
+
+ if self._qstar <= 0:
+ msg = "Invalid invariant: Invariant Q* must be greater than zero"
+ raise RuntimeError, msg
+
+ # Compute intermediate constant
+ k = 1.e-8 * self._qstar / (2 * (math.pi * math.fabs(float(contrast))) ** 2)
+ # Check discriminant value
+ discrim = 1 - 4 * k
+
+ # Compute volume fraction
+ if discrim < 0:
+ msg = "Could not compute the volume fraction: negative discriminant"
+ raise RuntimeError, msg
+ elif discrim == 0:
+ return 1 / 2
+ else:
+ volume1 = 0.5 * (1 - math.sqrt(discrim))
+ volume2 = 0.5 * (1 + math.sqrt(discrim))
+
+ if 0 <= volume1 and volume1 <= 1:
+ return volume1
+ elif 0 <= volume2 and volume2 <= 1:
+ return volume2
+ msg = "Could not compute the volume fraction: inconsistent results"
+ raise RuntimeError, msg
+
+ def get_qstar_with_error(self, extrapolation=None):
+ """
+ Compute the invariant uncertainty.
+ This uncertainty computation depends on whether or not the data is
+ smeared.
+
+ :param extrapolation: string to apply optional extrapolation
+
+ :return: invariant, the invariant uncertainty
+ """
+ self.get_qstar(extrapolation)
+ return self._qstar, self._qstar_err
+
+ def get_volume_fraction_with_error(self, contrast, extrapolation=None):
+ """
+ Compute uncertainty on volume value as well as the volume fraction
+ This uncertainty is given by the following equation: ::
+
+ dV = 0.5 * (4*k* dq_star) /(2* math.sqrt(1-k* q_star))
+
+ for k = 10^(-8)*q_star/(2*(pi*|contrast|)**2)
+
+ q_star: the invariant value including extrapolated value if existing
+ dq_star: the invariant uncertainty
+ dV: the volume uncertainty
+
+ The uncertainty will be set to -1 if it can't be computed.
+
+ :param contrast: contrast value
+ :param extrapolation: string to apply optional extrapolation
+
+ :return: V, dV = volume fraction, error on volume fraction
+ """
+ volume = self.get_volume_fraction(contrast, extrapolation)
+
+ # Compute error
+ k = 1.e-8 * self._qstar / (2 * (math.pi * math.fabs(float(contrast))) ** 2)
+ # Check value inside the sqrt function
+ value = 1 - k * self._qstar
+ if (value) <= 0:
+ uncertainty = -1
+ # Compute uncertainty
+ uncertainty = math.fabs((0.5 * 4 * k * \
+ self._qstar_err) / (2 * math.sqrt(1 - k * self._qstar)))
+
+ return volume, uncertainty
+
+ def get_surface_with_error(self, contrast, porod_const, extrapolation=None):
+ """
+ Compute uncertainty of the surface value as well as the surface value.
+ The uncertainty is given as follow: ::
+
+ dS = porod_const *2*pi[( dV -2*V*dV)/q_star
+ + dq_star(v-v**2)
+
+ q_star: the invariant value
+ dq_star: the invariant uncertainty
+ V: the volume fraction value
+ dV: the volume uncertainty
+
+ :param contrast: contrast value
+ :param porod_const: porod constant value
+ :param extrapolation: string to apply optional extrapolation
+
+ :return S, dS: the surface, with its uncertainty
+ """
+ # We get the volume fraction, with error
+ # get_volume_fraction_with_error calls get_volume_fraction
+ # get_volume_fraction calls get_qstar
+ # which computes Qstar and dQstar
+ v, dv = self.get_volume_fraction_with_error(contrast, extrapolation)
+
+ s = self.get_surface(contrast=contrast, porod_const=porod_const,
+ extrapolation=extrapolation)
+ ds = porod_const * 2 * math.pi * ((dv - 2 * v * dv) / self._qstar\
+ + self._qstar_err * (v - v ** 2))
+
+ return s, ds
diff --git a/src/sas/sascalc/invariant/invariant_mapper.py b/src/sas/sascalc/invariant/invariant_mapper.py
new file mode 100644
index 0000000..09d7446
--- /dev/null
+++ b/src/sas/sascalc/invariant/invariant_mapper.py
@@ -0,0 +1,48 @@
+"""
+This module is a wrapper to a map function. It allows to loop through
+different invariant objects to call the same function
+"""
+
+
+def get_qstar(inv, extrapolation=None):
+ """
+ Get invariant value (Q*)
+ """
+ return inv.get_qstar(extrapolation)
+
+def get_qstar_with_error(inv, extrapolation=None):
+ """
+ Get invariant value with uncertainty
+ """
+ return inv.get_qstar_with_error(extrapolation)
+
+def get_volume_fraction(inv, contrast, extrapolation=None):
+ """
+ Get volume fraction
+ """
+ return inv.get_volume_fraction(contrast, extrapolation)
+
+def get_volume_fraction_with_error(inv, contrast, extrapolation=None):
+ """
+ Get volume fraction with uncertainty
+ """
+ return inv.get_volume_fraction_with_error(contrast,
+ extrapolation)
+
+def get_surface(inv, contrast, porod_const, extrapolation=None):
+ """
+ Get surface with uncertainty
+ """
+ return inv.get_surface(contrast=contrast,
+ porod_const=porod_const,
+ extrapolation=extrapolation)
+
+def get_surface_with_error(inv, contrast,
+ porod_const, extrapolation=None):
+ """
+ Get surface with uncertainty
+ """
+ return inv.get_surface_with_error(contrast=contrast,
+ porod_const=porod_const,
+ extrapolation=extrapolation)
+
diff --git a/src/sas/sascalc/pr/Doxyfile b/src/sas/sascalc/pr/Doxyfile
new file mode 100644
index 0000000..a851e45
--- /dev/null
+++ b/src/sas/sascalc/pr/Doxyfile
@@ -0,0 +1,263 @@
+# Doxyfile 1.5.1-p1
+
+#---------------------------------------------------------------------------
+# Project related configuration options
+#---------------------------------------------------------------------------
+PROJECT_NAME = saspr
+PROJECT_NUMBER =
+OUTPUT_DIRECTORY = doc
+CREATE_SUBDIRS = NO
+OUTPUT_LANGUAGE = English
+USE_WINDOWS_ENCODING = NO
+BRIEF_MEMBER_DESC = YES
+REPEAT_BRIEF = YES
+ABBREVIATE_BRIEF = "The $name class" \
+ "The $name widget" \
+ "The $name file" \
+ is \
+ provides \
+ specifies \
+ contains \
+ represents \
+ a \
+ an \
+ the
+ALWAYS_DETAILED_SEC = NO
+INLINE_INHERITED_MEMB = NO
+FULL_PATH_NAMES = YES
+STRIP_FROM_PATH =
+STRIP_FROM_INC_PATH =
+SHORT_NAMES = NO
+JAVADOC_AUTOBRIEF = NO
+MULTILINE_CPP_IS_BRIEF = NO
+DETAILS_AT_TOP = NO
+INHERIT_DOCS = YES
+SEPARATE_MEMBER_PAGES = NO
+TAB_SIZE = 4
+ALIASES =
+OPTIMIZE_OUTPUT_FOR_C = NO
+OPTIMIZE_OUTPUT_JAVA = YES
+BUILTIN_STL_SUPPORT = NO
+DISTRIBUTE_GROUP_DOC = NO
+SUBGROUPING = YES
+#---------------------------------------------------------------------------
+# Build related configuration options
+#---------------------------------------------------------------------------
+EXTRACT_ALL = NO
+EXTRACT_PRIVATE = NO
+EXTRACT_STATIC = NO
+EXTRACT_LOCAL_CLASSES = YES
+EXTRACT_LOCAL_METHODS = NO
+HIDE_UNDOC_MEMBERS = NO
+HIDE_UNDOC_CLASSES = NO
+HIDE_FRIEND_COMPOUNDS = NO
+HIDE_IN_BODY_DOCS = NO
+INTERNAL_DOCS = NO
+CASE_SENSE_NAMES = YES
+HIDE_SCOPE_NAMES = NO
+SHOW_INCLUDE_FILES = YES
+INLINE_INFO = YES
+SORT_MEMBER_DOCS = YES
+SORT_BRIEF_DOCS = NO
+SORT_BY_SCOPE_NAME = NO
+GENERATE_TODOLIST = YES
+GENERATE_TESTLIST = YES
+GENERATE_BUGLIST = YES
+GENERATE_DEPRECATEDLIST= YES
+ENABLED_SECTIONS =
+MAX_INITIALIZER_LINES = 30
+SHOW_USED_FILES = YES
+SHOW_DIRECTORIES = YES
+FILE_VERSION_FILTER =
+#---------------------------------------------------------------------------
+# configuration options related to warning and progress messages
+#---------------------------------------------------------------------------
+QUIET = NO
+WARNINGS = YES
+WARN_IF_UNDOCUMENTED = YES
+WARN_IF_DOC_ERROR = YES
+WARN_NO_PARAMDOC = NO
+WARN_FORMAT = "$file:$line: $text"
+WARN_LOGFILE =
+#---------------------------------------------------------------------------
+# configuration options related to the input files
+#---------------------------------------------------------------------------
+INPUT = .
+FILE_PATTERNS = *.c \
+ *.cc \
+ *.cxx \
+ *.cpp \
+ *.c++ \
+ *.d \
+ *.java \
+ *.ii \
+ *.ixx \
+ *.ipp \
+ *.i++ \
+ *.inl \
+ *.h \
+ *.hh \
+ *.hxx \
+ *.hpp \
+ *.h++ \
+ *.idl \
+ *.odl \
+ *.cs \
+ *.php \
+ *.php3 \
+ *.inc \
+ *.m \
+ *.mm \
+ *.dox \
+ *.py
+RECURSIVE = YES
+EXCLUDE = build \
+ dist \
+ test
+EXCLUDE_SYMLINKS = NO
+EXCLUDE_PATTERNS =
+EXAMPLE_PATH =
+EXAMPLE_PATTERNS = *
+EXAMPLE_RECURSIVE = NO
+IMAGE_PATH = doc
+INPUT_FILTER =
+FILTER_PATTERNS =
+FILTER_SOURCE_FILES = NO
+#---------------------------------------------------------------------------
+# configuration options related to source browsing
+#---------------------------------------------------------------------------
+SOURCE_BROWSER = NO
+INLINE_SOURCES = NO
+STRIP_CODE_COMMENTS = YES
+REFERENCED_BY_RELATION = NO
+REFERENCES_RELATION = NO
+REFERENCES_LINK_SOURCE = YES
+USE_HTAGS = NO
+VERBATIM_HEADERS = YES
+#---------------------------------------------------------------------------
+# configuration options related to the alphabetical class index
+#---------------------------------------------------------------------------
+ALPHABETICAL_INDEX = NO
+COLS_IN_ALPHA_INDEX = 5
+IGNORE_PREFIX =
+#---------------------------------------------------------------------------
+# configuration options related to the HTML output
+#---------------------------------------------------------------------------
+GENERATE_HTML = YES
+HTML_OUTPUT = html
+HTML_FILE_EXTENSION = .html
+HTML_HEADER =
+HTML_FOOTER =
+HTML_STYLESHEET =
+HTML_ALIGN_MEMBERS = YES
+GENERATE_HTMLHELP = NO
+CHM_FILE =
+HHC_LOCATION =
+GENERATE_CHI = NO
+BINARY_TOC = NO
+TOC_EXPAND = NO
+DISABLE_INDEX = NO
+ENUM_VALUES_PER_LINE = 4
+GENERATE_TREEVIEW = NO
+TREEVIEW_WIDTH = 250
+#---------------------------------------------------------------------------
+# configuration options related to the LaTeX output
+#---------------------------------------------------------------------------
+GENERATE_LATEX = NO
+LATEX_OUTPUT = latex
+LATEX_CMD_NAME = latex
+MAKEINDEX_CMD_NAME = makeindex
+COMPACT_LATEX = NO
+PAPER_TYPE = a4wide
+EXTRA_PACKAGES =
+LATEX_HEADER =
+PDF_HYPERLINKS = NO
+USE_PDFLATEX = YES
+LATEX_BATCHMODE = NO
+LATEX_HIDE_INDICES = NO
+#---------------------------------------------------------------------------
+# configuration options related to the RTF output
+#---------------------------------------------------------------------------
+GENERATE_RTF = NO
+RTF_OUTPUT = rtf
+COMPACT_RTF = NO
+RTF_HYPERLINKS = NO
+RTF_STYLESHEET_FILE =
+RTF_EXTENSIONS_FILE =
+#---------------------------------------------------------------------------
+# configuration options related to the man page output
+#---------------------------------------------------------------------------
+GENERATE_MAN = NO
+MAN_OUTPUT = man
+MAN_EXTENSION = .3
+MAN_LINKS = NO
+#---------------------------------------------------------------------------
+# configuration options related to the XML output
+#---------------------------------------------------------------------------
+GENERATE_XML = NO
+XML_OUTPUT = xml
+XML_SCHEMA =
+XML_DTD =
+XML_PROGRAMLISTING = YES
+#---------------------------------------------------------------------------
+# configuration options for the AutoGen Definitions output
+#---------------------------------------------------------------------------
+GENERATE_AUTOGEN_DEF = NO
+#---------------------------------------------------------------------------
+# configuration options related to the Perl module output
+#---------------------------------------------------------------------------
+GENERATE_PERLMOD = NO
+PERLMOD_LATEX = NO
+PERLMOD_PRETTY = YES
+PERLMOD_MAKEVAR_PREFIX =
+#---------------------------------------------------------------------------
+# Configuration options related to the preprocessor
+#---------------------------------------------------------------------------
+ENABLE_PREPROCESSING = YES
+MACRO_EXPANSION = NO
+EXPAND_ONLY_PREDEF = NO
+SEARCH_INCLUDES = YES
+INCLUDE_PATH =
+INCLUDE_FILE_PATTERNS =
+PREDEFINED =
+EXPAND_AS_DEFINED =
+SKIP_FUNCTION_MACROS = YES
+#---------------------------------------------------------------------------
+# Configuration::additions related to external references
+#---------------------------------------------------------------------------
+TAGFILES =
+GENERATE_TAGFILE =
+ALLEXTERNALS = NO
+EXTERNAL_GROUPS = YES
+PERL_PATH = /usr/bin/perl
+#---------------------------------------------------------------------------
+# Configuration options related to the dot tool
+#---------------------------------------------------------------------------
+CLASS_DIAGRAMS = YES
+HIDE_UNDOC_RELATIONS = YES
+HAVE_DOT = YES
+CLASS_GRAPH = YES
+COLLABORATION_GRAPH = NO
+GROUP_GRAPHS = YES
+UML_LOOK = YES
+TEMPLATE_RELATIONS = YES
+INCLUDE_GRAPH = YES
+INCLUDED_BY_GRAPH = YES
+CALL_GRAPH = YES
+CALLER_GRAPH = YES
+GRAPHICAL_HIERARCHY = YES
+DIRECTORY_GRAPH = YES
+DOT_IMAGE_FORMAT = png
+DOT_PATH =
+DOTFILE_DIRS =
+MAX_DOT_GRAPH_WIDTH = 1024
+MAX_DOT_GRAPH_HEIGHT = 1024
+MAX_DOT_GRAPH_DEPTH = 1000
+DOT_TRANSPARENT = NO
+DOT_MULTI_TARGETS = NO
+GENERATE_LEGEND = YES
+DOT_CLEANUP = YES
+#---------------------------------------------------------------------------
+# Configuration::additions related to the search engine
+#---------------------------------------------------------------------------
+SEARCHENGINE = NO
diff --git a/src/sas/sascalc/pr/__init__.py b/src/sas/sascalc/pr/__init__.py
new file mode 100644
index 0000000..5aeedce
--- /dev/null
+++ b/src/sas/sascalc/pr/__init__.py
@@ -0,0 +1,106 @@
+"""
+ P(r) inversion for SAS
+"""
+## \mainpage P(r) inversion for SAS
+#
+# \section intro_sec Introduction
+# This module provides calculations to transform scattering intensity data
+# I(q) into distance distribution function P(r). A description of the
+# technique can be found elsewhere [1-5]. The module is useable as a
+# standalone application but its functionality is meant to be presented
+# to end-users through the user interface developed as part of the SAS
+# flagship application.
+#
+# Procedure: We will follow the procedure of Moore [1].
+#
+# [1] P.B. Moore, J.Appl. Cryst (1980) 13, 168-175.
+#
+# [2] O. Glatter, J.Appl. Cryst (1977) 10, 415-421.
+#
+# [3] D.I. Svergun, J.Appl. Cryst (1991) 24, 485-492.
+#
+# [4] D.I. Svergun, J.Appl. Cryst (1992) 25, 495-503.
+#
+# [5] S. Hansen and J. Skov Pedersen, J.Appl. Cryst (1991) 24, 541-548.
+#
+## \subsection class Class Diagram:
+# The following shows a partial class diagram with the main attributes
+# and methods of the invertor.
+#
+# \image html architecture.png
+#
+# \section install_sec Installation
+#
+# \subsection obtain Obtaining the Code
+#
+# The code is available here:
+# \verbatim
+#$ svn co svn://danse.us/sas/pr_inversion
+# \endverbatim
+#
+# \subsection depends External Dependencies
+# scipy, numpy
+#
+# \subsection build Building the code
+# The standard python package can be built with distutils.
+# \verbatim
+#$ python setup.py build
+#$ python setup.py install
+# \endverbatim
+#
+#
+# \subsection Tutorial
+# To create an inversion object:
+# \verbatim
+#from sas.sascalc.pr.invertor import Invertor
+# invertor = Invertor()
+# \endverbatim
+#
+# To set the maximum distance between any two points:
+# \verbatim
+# invertor.d_max = 160.0
+# \endverbatim
+#
+# To set the regularization constant:
+# \verbatim
+# invertor.alpha = 0.0007
+# \endverbatim
+#
+# To set the q, I(q) and error on I(q):
+# \verbatim
+# invertor.x = q_vector
+# invertor.y = Iq_vector
+# invertor.err = dIq_vector
+# \endverbatim
+#
+# To perform the inversion. In this example, we choose
+# a P(r) expension wit 10 base functions.
+# \verbatim
+# c_out, c_cov = invertor.invert(10)
+# \endverbatim
+# The c_out and c_cov are the set of coefficients and the covariance
+# matrix for those coefficients, respectively.
+#
+# To get P(r):
+# \verbatim
+# r = 10.0
+# pr = invertor.pr(c_out, r)
+# \endverbatim
+# Alternatively, one can get P(r) with the error on P(r):
+# \verbatim
+# r = 10.0
+# pr, dpr = invertor.pr_err(c_out, c_cov, r)
+# \endverbatim
+#
+# To get the output I(q) from the set of coefficients found:
+# \verbatim
+# q = 0.001
+# iq = invertor.iq(c_out, q)
+# \endverbatim
+#
+# Examples are available as unit tests under sas.pr_inversion.test.
+#
+# \section help_sec Contact Info
+# Code and Documentation produced as part of the DANSE project.
+
+__author__ = 'University of Tennessee'
diff --git a/src/sas/sascalc/pr/c_extensions/Cinvertor.c b/src/sas/sascalc/pr/c_extensions/Cinvertor.c
new file mode 100644
index 0000000..f9fc4af
--- /dev/null
+++ b/src/sas/sascalc/pr/c_extensions/Cinvertor.c
@@ -0,0 +1,1133 @@
+/**
+ * C implementation of the P(r) inversion
+ * Cinvertor is the base class for the Invertor class
+ * and provides the underlying computations.
+ *
+ */
+#include <Python.h>
+#include "structmember.h"
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+#include <time.h>
+
+#include "invertor.h"
+
+
+/// Error object for raised exceptions
+PyObject * CinvertorError;
+
+#define INVECTOR(obj,buf,len) \
+ do { \
+ int err = PyObject_AsReadBuffer(obj, (const void **)(&buf), &len); \
+ if (err < 0) return NULL; \
+ len /= sizeof(*buf); \
+ } while (0)
+
+#define OUTVECTOR(obj,buf,len) \
+ do { \
+ int err = PyObject_AsWriteBuffer(obj, (void **)(&buf), &len); \
+ if (err < 0) return NULL; \
+ len /= sizeof(*buf); \
+ } while (0)
+
+
+// Class definition
+/**
+ * C implementation of the P(r) inversion
+ * Cinvertor is the base class for the Invertor class
+ * and provides the underlying computations.
+ *
+ */
+typedef struct {
+ PyObject_HEAD
+ /// Internal data structure
+ Invertor_params params;
+} Cinvertor;
+
+
+static void
+Cinvertor_dealloc(Cinvertor* self)
+{
+ invertor_dealloc(&(self->params));
+
+ self->ob_type->tp_free((PyObject*)self);
+
+}
+
+static PyObject *
+Cinvertor_new(PyTypeObject *type, PyObject *args, PyObject *kwds)
+{
+ Cinvertor *self;
+
+ self = (Cinvertor *)type->tp_alloc(type, 0);
+
+ return (PyObject *)self;
+}
+
+static int
+Cinvertor_init(Cinvertor *self, PyObject *args, PyObject *kwds)
+{
+ if (self != NULL) {
+ // Create parameters
+ invertor_init(&(self->params));
+ }
+ return 0;
+}
+
+static PyMemberDef Cinvertor_members[] = {
+ //{"params", T_OBJECT, offsetof(Cinvertor, params), 0,
+ // "Parameters"},
+ {NULL} /* Sentinel */
+};
+
+const char set_x_doc[] =
+ "Function to set the x data\n"
+ "Takes an array of doubles as input.\n"
+ " @return: number of entries found";
+
+/**
+ * Function to set the x data
+ * Takes an array of doubles as input
+ * Returns the number of entries found
+ */
+static PyObject * set_x(Cinvertor *self, PyObject *args) {
+ PyObject *data_obj;
+ Py_ssize_t ndata;
+ double *data;
+ int i;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,data,ndata);
+
+ free(self->params.x);
+ self->params.x = (double*) malloc(ndata*sizeof(double));
+
+ if(self->params.x==NULL) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.set_x: problem allocating memory.");
+ return NULL;
+ }
+
+ for (i=0; i<ndata; i++) {
+ self->params.x[i] = data[i];
+ }
+
+ //self->params.x = data;
+ self->params.npoints = (int)ndata;
+ return Py_BuildValue("i", self->params.npoints);
+}
+
+const char get_x_doc[] =
+ "Function to get the x data\n"
+ "Takes an array of doubles as input.\n"
+ " @return: number of entries found";
+
+static PyObject * get_x(Cinvertor *self, PyObject *args) {
+ PyObject *data_obj;
+ Py_ssize_t ndata;
+ double *data;
+ int i;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj, data, ndata);
+
+ // Check that the input array is large enough
+ if (ndata < self->params.npoints) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.get_x: input array too short for data.");
+ return NULL;
+ }
+
+ for(i=0; i<self->params.npoints; i++){
+ data[i] = self->params.x[i];
+ }
+
+ return Py_BuildValue("i", self->params.npoints);
+}
+
+const char set_y_doc[] =
+ "Function to set the y data\n"
+ "Takes an array of doubles as input.\n"
+ " @return: number of entries found";
+
+/**
+ * Function to set the y data
+ * Takes an array of doubles as input
+ * Returns the number of entries found
+ */
+static PyObject * set_y(Cinvertor *self, PyObject *args) {
+ PyObject *data_obj;
+ Py_ssize_t ndata;
+ double *data;
+ int i;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,data,ndata);
+
+ free(self->params.y);
+ self->params.y = (double*) malloc(ndata*sizeof(double));
+
+ if(self->params.y==NULL) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.set_y: problem allocating memory.");
+ return NULL;
+ }
+
+ for (i=0; i<ndata; i++) {
+ self->params.y[i] = data[i];
+ }
+
+ //self->params.y = data;
+ self->params.ny = (int)ndata;
+ return Py_BuildValue("i", self->params.ny);
+}
+
+const char get_y_doc[] =
+ "Function to get the y data\n"
+ "Takes an array of doubles as input.\n"
+ " @return: number of entries found";
+
+static PyObject * get_y(Cinvertor *self, PyObject *args) {
+ PyObject *data_obj;
+ Py_ssize_t ndata;
+ double *data;
+ int i;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj, data, ndata);
+
+ // Check that the input array is large enough
+ if (ndata < self->params.ny) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.get_y: input array too short for data.");
+ return NULL;
+ }
+
+ for(i=0; i<self->params.ny; i++){
+ data[i] = self->params.y[i];
+ }
+
+ return Py_BuildValue("i", self->params.npoints);
+}
+
+const char set_err_doc[] =
+ "Function to set the err data\n"
+ "Takes an array of doubles as input.\n"
+ " @return: number of entries found";
+
+/**
+ * Function to set the x data
+ * Takes an array of doubles as input
+ * Returns the number of entries found
+ */
+static PyObject * set_err(Cinvertor *self, PyObject *args) {
+ PyObject *data_obj;
+ Py_ssize_t ndata;
+ double *data;
+ int i;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,data,ndata);
+
+ free(self->params.err);
+ self->params.err = (double*) malloc(ndata*sizeof(double));
+
+ if(self->params.err==NULL) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.set_err: problem allocating memory.");
+ return NULL;
+ }
+
+ for (i=0; i<ndata; i++) {
+ self->params.err[i] = data[i];
+ }
+
+ //self->params.err = data;
+ self->params.nerr = (int)ndata;
+ return Py_BuildValue("i", self->params.nerr);
+}
+
+const char get_err_doc[] =
+ "Function to get the err data\n"
+ "Takes an array of doubles as input.\n"
+ " @return: number of entries found";
+
+static PyObject * get_err(Cinvertor *self, PyObject *args) {
+ PyObject *data_obj;
+ Py_ssize_t ndata;
+ double *data;
+ int i;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj, data, ndata);
+
+ // Check that the input array is large enough
+ if (ndata < self->params.nerr) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.get_err: input array too short for data.");
+ return NULL;
+ }
+
+ for(i=0; i<self->params.nerr; i++){
+ data[i] = self->params.err[i];
+ }
+
+ return Py_BuildValue("i", self->params.npoints);
+}
+
+const char is_valid_doc[] =
+ "Check the validity of the stored data\n"
+ " @return: Returns the number of points if it's all good, -1 otherwise";
+
+/**
+ * Check the validity of the stored data
+ * Returns the number of points if it's all good, -1 otherwise
+ */
+static PyObject * is_valid(Cinvertor *self, PyObject *args) {
+ if(self->params.npoints==self->params.ny &&
+ self->params.npoints==self->params.nerr) {
+ return Py_BuildValue("i", self->params.npoints);
+ } else {
+ return Py_BuildValue("i", -1);
+ }
+}
+
+const char set_has_bck_doc[] =
+ "Sets background flag\n";
+
+/**
+ * Sets the maximum distance
+ */
+static PyObject * set_has_bck(Cinvertor *self, PyObject *args) {
+ int has_bck;
+
+ if (!PyArg_ParseTuple(args, "i", &has_bck)) return NULL;
+ self->params.has_bck = has_bck;
+ return Py_BuildValue("i", self->params.has_bck);
+}
+
+const char get_has_bck_doc[] =
+ "Gets background flag\n";
+
+/**
+ * Gets the maximum distance
+ */
+static PyObject * get_has_bck(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.has_bck);
+}
+
+const char set_dmax_doc[] =
+ "Sets the maximum distance\n";
+
+/**
+ * Sets the maximum distance
+ */
+static PyObject * set_dmax(Cinvertor *self, PyObject *args) {
+ double d_max;
+
+ if (!PyArg_ParseTuple(args, "d", &d_max)) return NULL;
+ self->params.d_max = d_max;
+ return Py_BuildValue("d", self->params.d_max);
+}
+
+const char get_dmax_doc[] =
+ "Gets the maximum distance\n";
+
+/**
+ * Gets the maximum distance
+ */
+static PyObject * get_dmax(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("d", self->params.d_max);
+}
+
+const char set_slit_height_doc[] =
+ "Sets the slit height in units of q [A-1]\n";
+
+/**
+ * Sets the slit height
+ */
+static PyObject * set_slit_height(Cinvertor *self, PyObject *args) {
+ double slit_height;
+
+ if (!PyArg_ParseTuple(args, "d", &slit_height)) return NULL;
+ self->params.slit_height = slit_height;
+ return Py_BuildValue("d", self->params.slit_height);
+}
+
+const char get_slit_height_doc[] =
+ "Gets the slit height\n";
+
+/**
+ * Gets the slit height
+ */
+static PyObject * get_slit_height(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("d", self->params.slit_height);
+}
+
+const char set_slit_width_doc[] =
+ "Sets the slit width in units of q [A-1]\n";
+
+/**
+ * Sets the slit width
+ */
+static PyObject * set_slit_width(Cinvertor *self, PyObject *args) {
+ double slit_width;
+
+ if (!PyArg_ParseTuple(args, "d", &slit_width)) return NULL;
+ self->params.slit_width = slit_width;
+ return Py_BuildValue("d", self->params.slit_width);
+}
+
+const char get_slit_width_doc[] =
+ "Gets the slit width\n";
+
+/**
+ * Gets the slit width
+ */
+static PyObject * get_slit_width(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("d", self->params.slit_width);
+}
+
+
+const char set_qmin_doc[] =
+ "Sets the minimum q\n";
+
+/**
+ * Sets the minimum q
+ */
+static PyObject * set_qmin(Cinvertor *self, PyObject *args) {
+ double q_min;
+
+ if (!PyArg_ParseTuple(args, "d", &q_min)) return NULL;
+ self->params.q_min = q_min;
+ return Py_BuildValue("d", self->params.q_min);
+}
+
+const char get_qmin_doc[] =
+ "Gets the minimum q\n";
+
+/**
+ * Gets the minimum q
+ */
+static PyObject * get_qmin(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("d", self->params.q_min);
+}
+
+const char set_qmax_doc[] =
+ "Sets the maximum q\n";
+
+/**
+ * Sets the maximum q
+ */
+static PyObject * set_qmax(Cinvertor *self, PyObject *args) {
+ double q_max;
+
+ if (!PyArg_ParseTuple(args, "d", &q_max)) return NULL;
+ self->params.q_max = q_max;
+ return Py_BuildValue("d", self->params.q_max);
+}
+
+const char get_qmax_doc[] =
+ "Gets the maximum q\n";
+
+/**
+ * Gets the maximum q
+ */
+static PyObject * get_qmax(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("d", self->params.q_max);
+}
+
+const char set_alpha_doc[] =
+ "Sets the alpha parameter\n";
+
+static PyObject * set_alpha(Cinvertor *self, PyObject *args) {
+ double alpha;
+
+ if (!PyArg_ParseTuple(args, "d", &alpha)) return NULL;
+ self->params.alpha = alpha;
+ return Py_BuildValue("d", self->params.alpha);
+}
+
+const char get_alpha_doc[] =
+ "Gets the alpha parameter\n";
+
+/**
+ * Gets the maximum distance
+ */
+static PyObject * get_alpha(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("d", self->params.alpha);
+}
+
+const char get_nx_doc[] =
+ "Gets the number of x points\n";
+
+/**
+ * Gets the number of x points
+ */
+static PyObject * get_nx(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.npoints);
+}
+
+const char get_ny_doc[] =
+ "Gets the number of y points\n";
+
+/**
+ * Gets the number of y points
+ */
+static PyObject * get_ny(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.ny);
+}
+
+const char get_nerr_doc[] =
+ "Gets the number of err points\n";
+
+/**
+ * Gets the number of error points
+ */
+static PyObject * get_nerr(Cinvertor *self, PyObject *args) {
+ return Py_BuildValue("i", self->params.nerr);
+}
+
+
+const char residuals_doc[] =
+ "Function to call to evaluate the residuals\n"
+ "for P(r) inversion\n"
+ " @param args: input parameters\n"
+ " @return: list of residuals";
+
+/**
+ * Function to call to evaluate the residuals
+ * @param args: input parameters
+ * @return: list of residuals
+ */
+static PyObject * residuals(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject* residuals;
+ int i;
+ double residual, diff;
+ // Regularization factor
+ double regterm = 0.0;
+ // Number of slices in regularization term estimate
+ int nslice = 25;
+
+ PyObject *data_obj;
+ Py_ssize_t npars;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+
+ OUTVECTOR(data_obj,pars,npars);
+
+ // PyList of residuals
+ // Should create this list only once and refill it
+ residuals = PyList_New(self->params.npoints);
+
+ regterm = reg_term(pars, self->params.d_max, (int)npars, nslice);
+
+ for(i=0; i<self->params.npoints; i++) {
+ diff = self->params.y[i] - iq(pars, self->params.d_max, (int)npars, self->params.x[i]);
+ residual = diff*diff / (self->params.err[i]*self->params.err[i]);
+
+ // regularization term
+ residual += self->params.alpha * regterm;
+
+ if (PyList_SetItem(residuals, i, Py_BuildValue("d",residual) ) < 0){
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.residuals: error setting residual.");
+ return NULL;
+ };
+ }
+ return residuals;
+}
+
+const char pr_residuals_doc[] =
+ "Function to call to evaluate the residuals\n"
+ "for P(r) minimization (for testing purposes)\n"
+ " @param args: input parameters\n"
+ " @return: list of residuals";
+
+/**
+ * Function to call to evaluate the residuals
+ * for P(r) minimization (for testing purposes)
+ * @param args: input parameters
+ * @return: list of residuals
+ */
+static PyObject * pr_residuals(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject* residuals;
+ int i;
+ double residual, diff;
+ // Regularization factor
+ double regterm = 0.0;
+ // Number of slices in regularization term estimate
+ int nslice = 25;
+
+ PyObject *data_obj;
+ Py_ssize_t npars;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+
+ OUTVECTOR(data_obj,pars,npars);
+
+ // Should create this list only once and refill it
+ residuals = PyList_New(self->params.npoints);
+
+ regterm = reg_term(pars, self->params.d_max, (int)npars, nslice);
+
+
+ for(i=0; i<self->params.npoints; i++) {
+ diff = self->params.y[i] - pr(pars, self->params.d_max, (int)npars, self->params.x[i]);
+ residual = diff*diff / (self->params.err[i]*self->params.err[i]);
+
+ // regularization term
+ residual += self->params.alpha * regterm;
+
+ if (PyList_SetItem(residuals, i, Py_BuildValue("d",residual) ) < 0){
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.residuals: error setting residual.");
+ return NULL;
+ };
+ }
+ return residuals;
+}
+
+const char get_iq_doc[] =
+ "Function to call to evaluate the scattering intensity\n"
+ " @param args: c-parameters, and q\n"
+ " @return: I(q)";
+
+/**
+ * Function to call to evaluate the scattering intensity
+ * @param args: c-parameters, and q
+ * @return: I(q)
+ */
+static PyObject * get_iq(Cinvertor *self, PyObject *args) {
+ double *pars;
+ double q, iq_value;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+
+ if (!PyArg_ParseTuple(args, "Od", &data_obj, &q)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ iq_value = iq(pars, self->params.d_max, (int)npars, q);
+ return Py_BuildValue("f", iq_value);
+}
+
+const char get_iq_smeared_doc[] =
+ "Function to call to evaluate the scattering intensity.\n"
+ "The scattering intensity is slit-smeared."
+ " @param args: c-parameters, and q\n"
+ " @return: I(q)";
+
+/**
+ * Function to call to evaluate the scattering intensity
+ * The scattering intensity is slit-smeared.
+ * @param args: c-parameters, and q
+ * @return: I(q)
+ */
+static PyObject * get_iq_smeared(Cinvertor *self, PyObject *args) {
+ double *pars;
+ double q, iq_value;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+
+ if (!PyArg_ParseTuple(args, "Od", &data_obj, &q)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ iq_value = iq_smeared(pars, self->params.d_max, (int)npars,
+ self->params.slit_height, self->params.slit_width,
+ q, 21);
+ return Py_BuildValue("f", iq_value);
+}
+
+const char get_pr_doc[] =
+ "Function to call to evaluate P(r)\n"
+ " @param args: c-parameters and r\n"
+ " @return: P(r)";
+
+/**
+ * Function to call to evaluate P(r)
+ * @param args: c-parameters and r
+ * @return: P(r)
+ */
+static PyObject * get_pr(Cinvertor *self, PyObject *args) {
+ double *pars;
+ double r, pr_value;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+
+ if (!PyArg_ParseTuple(args, "Od", &data_obj, &r)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ pr_value = pr(pars, self->params.d_max, (int)npars, r);
+ return Py_BuildValue("f", pr_value);
+}
+
+const char get_pr_err_doc[] =
+ "Function to call to evaluate P(r) with errors\n"
+ " @param args: c-parameters and r\n"
+ " @return: (P(r),dP(r))";
+
+/**
+ * Function to call to evaluate P(r) with errors
+ * @param args: c-parameters and r
+ * @return: P(r)
+ */
+static PyObject * get_pr_err(Cinvertor *self, PyObject *args) {
+ double *pars;
+ double *pars_err;
+ double pr_err_value;
+ double r, pr_value;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+ PyObject *err_obj;
+ Py_ssize_t npars2;
+
+ if (!PyArg_ParseTuple(args, "OOd", &data_obj, &err_obj, &r)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ if (err_obj == Py_None) {
+ pr_value = pr(pars, self->params.d_max, (int)npars, r);
+ pr_err_value = 0.0;
+ } else {
+ OUTVECTOR(err_obj,pars_err,npars2);
+ pr_err(pars, pars_err, self->params.d_max, (int)npars, r, &pr_value, &pr_err_value);
+ }
+ return Py_BuildValue("ff", pr_value, pr_err_value);
+}
+
+const char basefunc_ft_doc[] =
+ "Returns the value of the nth Fourier transofrmed base function\n"
+ " @param args: c-parameters, n and q\n"
+ " @return: nth Fourier transformed base function, evaluated at q";
+
+static PyObject * basefunc_ft(Cinvertor *self, PyObject *args) {
+ double d_max, q;
+ int n;
+
+ if (!PyArg_ParseTuple(args, "did", &d_max, &n, &q)) return NULL;
+ return Py_BuildValue("f", ortho_transformed(d_max, n, q));
+
+}
+
+const char oscillations_doc[] =
+ "Returns the value of the oscillation figure of merit for\n"
+ "the given set of coefficients. For a sphere, the oscillation\n"
+ "figure of merit is 1.1.\n"
+ " @param args: c-parameters\n"
+ " @return: oscillation figure of merit";
+
+static PyObject * oscillations(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+ double oscill, norm;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ oscill = reg_term(pars, self->params.d_max, (int)npars, 100);
+ norm = int_p2(pars, self->params.d_max, (int)npars, 100);
+ return Py_BuildValue("f", sqrt(oscill/norm)/acos(-1.0)*self->params.d_max );
+
+}
+
+const char get_peaks_doc[] =
+ "Returns the number of peaks in the output P(r) distrubution\n"
+ "for the given set of coefficients.\n"
+ " @param args: c-parameters\n"
+ " @return: number of P(r) peaks";
+
+static PyObject * get_peaks(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+ int count;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ count = npeaks(pars, self->params.d_max, (int)npars, 100);
+
+ return Py_BuildValue("i", count );
+
+}
+
+const char get_positive_doc[] =
+ "Returns the fraction of P(r) that is positive over\n"
+ "the full range of r for the given set of coefficients.\n"
+ " @param args: c-parameters\n"
+ " @return: fraction of P(r) that is positive";
+
+static PyObject * get_positive(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+ double fraction;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ fraction = positive_integral(pars, self->params.d_max, (int)npars, 100);
+
+ return Py_BuildValue("f", fraction );
+
+}
+
+const char get_pos_err_doc[] =
+ "Returns the fraction of P(r) that is 1 standard deviation\n"
+ "above zero over the full range of r for the given set of coefficients.\n"
+ " @param args: c-parameters\n"
+ " @return: fraction of P(r) that is positive";
+
+static PyObject * get_pos_err(Cinvertor *self, PyObject *args) {
+ double *pars;
+ double *pars_err;
+ PyObject *data_obj;
+ PyObject *err_obj;
+ Py_ssize_t npars;
+ Py_ssize_t npars2;
+ double fraction;
+
+ if (!PyArg_ParseTuple(args, "OO", &data_obj, &err_obj)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+ OUTVECTOR(err_obj,pars_err,npars2);
+
+ fraction = positive_errors(pars, pars_err, self->params.d_max, (int)npars, 51);
+
+ return Py_BuildValue("f", fraction );
+
+}
+
+const char get_rg_doc[] =
+ "Returns the value of the radius of gyration Rg.\n"
+ " @param args: c-parameters\n"
+ " @return: Rg";
+
+static PyObject * get_rg(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+ double value;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ value = rg(pars, self->params.d_max, (int)npars, 101);
+
+ return Py_BuildValue("f", value );
+
+}
+
+const char get_iq0_doc[] =
+ "Returns the value of I(q=0).\n"
+ " @param args: c-parameters\n"
+ " @return: I(q=0)";
+
+static PyObject * get_iq0(Cinvertor *self, PyObject *args) {
+ double *pars;
+ PyObject *data_obj;
+ Py_ssize_t npars;
+ double value;
+
+ if (!PyArg_ParseTuple(args, "O", &data_obj)) return NULL;
+ OUTVECTOR(data_obj,pars,npars);
+
+ value = 4.0*acos(-1.0)*int_pr(pars, self->params.d_max, (int)npars, 101);
+
+ return Py_BuildValue("f", value );
+
+}
+
+/**
+ * Check whether a q-value is within acceptabel limits
+ * Return 1 if accepted, 0 if rejected.
+ */
+int accept_q(Cinvertor *self, double q) {
+ if (self->params.q_min>0 && q<self->params.q_min) return 0;
+ if (self->params.q_max>0 && q>self->params.q_max) return 0;
+ return 1;
+}
+
+const char get_matrix_doc[] =
+ "Returns A matrix and b vector for least square problem.\n"
+ " @param nfunc: number of base functions\n"
+ " @param nr: number of r-points used when evaluating reg term.\n"
+ " @param a: A array to fill\n"
+ " @param b: b vector to fill\n"
+ " @return: 0";
+
+static PyObject * get_matrix(Cinvertor *self, PyObject *args) {
+ double *a;
+ double *b;
+ PyObject *a_obj;
+ PyObject *b_obj;
+ Py_ssize_t n_a;
+ Py_ssize_t n_b;
+ // Number of bins for regularization term evaluation
+ int nr, nfunc;
+ int i, j, i_r;
+ double r, sqrt_alpha, pi;
+ double tmp;
+ int offset;
+
+ if (!PyArg_ParseTuple(args, "iiOO", &nfunc, &nr, &a_obj, &b_obj)) return NULL;
+ OUTVECTOR(a_obj,a,n_a);
+ OUTVECTOR(b_obj,b,n_b);
+
+ assert(n_b>=nfunc);
+ assert(n_a>=nfunc*(nr+self->params.npoints));
+
+ sqrt_alpha = sqrt(self->params.alpha);
+ pi = acos(-1.0);
+ offset = (self->params.has_bck==1) ? 0 : 1;
+
+ for (j=0; j<nfunc; j++) {
+ for (i=0; i<self->params.npoints; i++) {
+ if (self->params.err[i]==0.0) {
+ PyErr_SetString(CinvertorError,
+ "Cinvertor.get_matrix: Some I(Q) points have no error.");
+ return NULL;
+ }
+ if (accept_q(self, self->params.x[i])){
+ if (self->params.has_bck==1 && j==0) {
+ a[i*nfunc+j] = 1.0/self->params.err[i];
+ } else {
+ if (self->params.slit_width>0 || self->params.slit_height>0) {
+ a[i*nfunc+j] = ortho_transformed_smeared(self->params.d_max,
+ j+offset, self->params.slit_height, self->params.slit_width,
+ self->params.x[i], 21)/self->params.err[i];
+ } else {
+ a[i*nfunc+j] = ortho_transformed(self->params.d_max, j+offset, self->params.x[i])/self->params.err[i];
+ }
+ }
+ }
+ }
+ for (i_r=0; i_r<nr; i_r++){
+ if (self->params.has_bck==1 && j==0) {
+ a[(i_r+self->params.npoints)*nfunc+j] = 0.0;
+ } else {
+ r = self->params.d_max/nr*i_r;
+ tmp = pi*(j+offset)/self->params.d_max;
+ a[(i_r+self->params.npoints)*nfunc+j] = sqrt_alpha * 1.0/nr*self->params.d_max*2.0*
+ (2.0*pi*(j+offset)/self->params.d_max*cos(pi*(j+offset)*r/self->params.d_max) +
+ tmp*tmp*r * sin(pi*(j+offset)*r/self->params.d_max));
+ }
+ }
+ }
+
+ for (i=0; i<self->params.npoints; i++) {
+ if (accept_q(self, self->params.x[i])){
+ b[i] = self->params.y[i]/self->params.err[i];
+ }
+ }
+
+ return Py_BuildValue("i", 0);
+
+}
+
+const char get_invcov_matrix_doc[] =
+ " Compute the inverse covariance matrix, defined as inv_cov = a_transposed x a.\n"
+ " @param nfunc: number of base functions\n"
+ " @param nr: number of r-points used when evaluating reg term.\n"
+ " @param a: A array to fill\n"
+ " @param inv_cov: inverse covariance array to be filled\n"
+ " @return: 0";
+
+static PyObject * get_invcov_matrix(Cinvertor *self, PyObject *args) {
+ double *a;
+ PyObject *a_obj;
+ Py_ssize_t n_a;
+ double *inv_cov;
+ PyObject *cov_obj;
+ Py_ssize_t n_cov;
+ int nr, nfunc;
+ int i, j, k;
+
+ if (!PyArg_ParseTuple(args, "iiOO", &nfunc, &nr, &a_obj, &cov_obj)) return NULL;
+ OUTVECTOR(a_obj,a,n_a);
+ OUTVECTOR(cov_obj,inv_cov,n_cov);
+
+ assert(n_cov>=nfunc*nfunc);
+ assert(n_a>=nfunc*(nr+self->params.npoints));
+
+ for (i=0; i<nfunc; i++) {
+ for (j=0; j<nfunc; j++) {
+ inv_cov[i*nfunc+j] = 0.0;
+ for (k=0; k<nr+self->params.npoints; k++) {
+ inv_cov[i*nfunc+j] += a[k*nfunc+i]*a[k*nfunc+j];
+ }
+ }
+ }
+ return Py_BuildValue("i", 0);
+}
+
+const char get_reg_size_doc[] =
+ " Compute the covariance matrix, defined as inv_cov = a_transposed x a.\n"
+ " @param nfunc: number of base functions\n"
+ " @param nr: number of r-points used when evaluating reg term.\n"
+ " @param a: A array to fill\n"
+ " @param inv_cov: inverse covariance array to be filled\n"
+ " @return: 0";
+
+static PyObject * get_reg_size(Cinvertor *self, PyObject *args) {
+ double *a;
+ PyObject *a_obj;
+ Py_ssize_t n_a;
+ int nr, nfunc;
+ int i, j;
+ double sum_sig, sum_reg;
+
+ if (!PyArg_ParseTuple(args, "iiO", &nfunc, &nr, &a_obj)) return NULL;
+ OUTVECTOR(a_obj,a,n_a);
+
+ assert(n_a>=nfunc*(nr+self->params.npoints));
+
+ sum_sig = 0.0;
+ sum_reg = 0.0;
+ for (j=0; j<nfunc; j++){
+ for (i=0; i<self->params.npoints; i++){
+ if (accept_q(self, self->params.x[i])==1)
+ sum_sig += (a[i*nfunc+j])*(a[i*nfunc+j]);
+ }
+ for (i=0; i<nr; i++){
+ sum_reg += (a[(i+self->params.npoints)*nfunc+j])*(a[(i+self->params.npoints)*nfunc+j]);
+ }
+ }
+ return Py_BuildValue("ff", sum_sig, sum_reg);
+}
+
+const char eeeget_qmin_doc[] = "\
+This is a multiline doc string.\n\
+\n\
+This is the second line.";
+const char eeeset_qmin_doc[] =
+ "This is a multiline doc string.\n"
+ "\n"
+ "This is the second line.";
+
+static PyMethodDef Cinvertor_methods[] = {
+ {"residuals", (PyCFunction)residuals, METH_VARARGS, residuals_doc},
+ {"pr_residuals", (PyCFunction)pr_residuals, METH_VARARGS, pr_residuals_doc},
+ {"set_x", (PyCFunction)set_x, METH_VARARGS, set_x_doc},
+ {"get_x", (PyCFunction)get_x, METH_VARARGS, get_x_doc},
+ {"set_y", (PyCFunction)set_y, METH_VARARGS, set_y_doc},
+ {"get_y", (PyCFunction)get_y, METH_VARARGS, get_y_doc},
+ {"set_err", (PyCFunction)set_err, METH_VARARGS, set_err_doc},
+ {"get_err", (PyCFunction)get_err, METH_VARARGS, get_err_doc},
+ {"set_dmax", (PyCFunction)set_dmax, METH_VARARGS, set_dmax_doc},
+ {"get_dmax", (PyCFunction)get_dmax, METH_VARARGS, get_dmax_doc},
+ {"set_qmin", (PyCFunction)set_qmin, METH_VARARGS, set_qmin_doc},
+ {"get_qmin", (PyCFunction)get_qmin, METH_VARARGS, get_qmin_doc},
+ {"set_qmax", (PyCFunction)set_qmax, METH_VARARGS, set_qmax_doc},
+ {"get_qmax", (PyCFunction)get_qmax, METH_VARARGS, get_qmax_doc},
+ {"set_alpha", (PyCFunction)set_alpha, METH_VARARGS, set_alpha_doc},
+ {"get_alpha", (PyCFunction)get_alpha, METH_VARARGS, get_alpha_doc},
+ {"set_slit_width", (PyCFunction)set_slit_width, METH_VARARGS, set_slit_width_doc},
+ {"get_slit_width", (PyCFunction)get_slit_width, METH_VARARGS, get_slit_width_doc},
+ {"set_slit_height", (PyCFunction)set_slit_height, METH_VARARGS, set_slit_height_doc},
+ {"get_slit_height", (PyCFunction)get_slit_height, METH_VARARGS, get_slit_height_doc},
+ {"set_has_bck", (PyCFunction)set_has_bck, METH_VARARGS, set_has_bck_doc},
+ {"get_has_bck", (PyCFunction)get_has_bck, METH_VARARGS, get_has_bck_doc},
+ {"get_nx", (PyCFunction)get_nx, METH_VARARGS, get_nx_doc},
+ {"get_ny", (PyCFunction)get_ny, METH_VARARGS, get_ny_doc},
+ {"get_nerr", (PyCFunction)get_nerr, METH_VARARGS, get_nerr_doc},
+ {"iq", (PyCFunction)get_iq, METH_VARARGS, get_iq_doc},
+ {"iq_smeared", (PyCFunction)get_iq_smeared, METH_VARARGS, get_iq_smeared_doc},
+ {"pr", (PyCFunction)get_pr, METH_VARARGS, get_pr_doc},
+ {"get_pr_err", (PyCFunction)get_pr_err, METH_VARARGS, get_pr_err_doc},
+ {"is_valid", (PyCFunction)is_valid, METH_VARARGS, is_valid_doc},
+ {"basefunc_ft", (PyCFunction)basefunc_ft, METH_VARARGS, basefunc_ft_doc},
+ {"oscillations", (PyCFunction)oscillations, METH_VARARGS, oscillations_doc},
+ {"get_peaks", (PyCFunction)get_peaks, METH_VARARGS, get_peaks_doc},
+ {"get_positive", (PyCFunction)get_positive, METH_VARARGS, get_positive_doc},
+ {"get_pos_err", (PyCFunction)get_pos_err, METH_VARARGS, get_pos_err_doc},
+ {"rg", (PyCFunction)get_rg, METH_VARARGS, get_rg_doc},
+ {"iq0", (PyCFunction)get_iq0, METH_VARARGS, get_iq0_doc},
+ {"_get_matrix", (PyCFunction)get_matrix, METH_VARARGS, get_matrix_doc},
+ {"_get_invcov_matrix", (PyCFunction)get_invcov_matrix, METH_VARARGS, get_invcov_matrix_doc},
+ {"_get_reg_size", (PyCFunction)get_reg_size, METH_VARARGS, get_reg_size_doc},
+
+ {NULL}
+};
+
+static PyTypeObject CinvertorType = {
+ PyObject_HEAD_INIT(NULL)
+ 0, /*ob_size*/
+ "Cinvertor", /*tp_name*/
+ sizeof(Cinvertor), /*tp_basicsize*/
+ 0, /*tp_itemsize*/
+ (destructor)Cinvertor_dealloc, /*tp_dealloc*/
+ 0, /*tp_print*/
+ 0, /*tp_getattr*/
+ 0, /*tp_setattr*/
+ 0, /*tp_compare*/
+ 0, /*tp_repr*/
+ 0, /*tp_as_number*/
+ 0, /*tp_as_sequence*/
+ 0, /*tp_as_mapping*/
+ 0, /*tp_hash */
+ 0, /*tp_call*/
+ 0, /*tp_str*/
+ 0, /*tp_getattro*/
+ 0, /*tp_setattro*/
+ 0, /*tp_as_buffer*/
+ Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/
+ "Cinvertor objects", /* tp_doc */
+ 0, /* tp_traverse */
+ 0, /* tp_clear */
+ 0, /* tp_richcompare */
+ 0, /* tp_weaklistoffset */
+ 0, /* tp_iter */
+ 0, /* tp_iternext */
+ Cinvertor_methods, /* tp_methods */
+ Cinvertor_members, /* tp_members */
+ 0, /* tp_getset */
+ 0, /* tp_base */
+ 0, /* tp_dict */
+ 0, /* tp_descr_get */
+ 0, /* tp_descr_set */
+ 0, /* tp_dictoffset */
+ (initproc)Cinvertor_init, /* tp_init */
+ 0, /* tp_alloc */
+ Cinvertor_new, /* tp_new */
+};
+
+
+static PyMethodDef module_methods[] = {
+ {NULL}
+};
+
+/**
+ * Function used to add the model class to a module
+ * @param module: module to add the class to
+ */
+void addCinvertor(PyObject *module) {
+ PyObject *d;
+
+ if (PyType_Ready(&CinvertorType) < 0)
+ return;
+
+ Py_INCREF(&CinvertorType);
+ PyModule_AddObject(module, "Cinvertor", (PyObject *)&CinvertorType);
+
+ d = PyModule_GetDict(module);
+ CinvertorError = PyErr_NewException("sas.sascalc.pr.invertor.Cinvertor.InvertorError", PyExc_RuntimeError, NULL);
+ PyDict_SetItemString(d, "CinvertorError", CinvertorError);
+}
+
+
+#ifndef PyMODINIT_FUNC /* declarations for DLL import/export */
+#define PyMODINIT_FUNC void
+#endif
+PyMODINIT_FUNC
+initpr_inversion(void)
+{
+ PyObject* m;
+
+ m = Py_InitModule3("pr_inversion", module_methods,
+ "C extension module for inversion to P(r).");
+
+ addCinvertor(m);
+}
diff --git a/src/sas/sascalc/pr/c_extensions/__init__.py b/src/sas/sascalc/pr/c_extensions/__init__.py
new file mode 100644
index 0000000..7f8dd09
--- /dev/null
+++ b/src/sas/sascalc/pr/c_extensions/__init__.py
@@ -0,0 +1,3 @@
+"""
+ C extensions to provide the P(r) inversion computations.
+"""
diff --git a/src/sas/sascalc/pr/c_extensions/invertor.c b/src/sas/sascalc/pr/c_extensions/invertor.c
new file mode 100644
index 0000000..3b97992
--- /dev/null
+++ b/src/sas/sascalc/pr/c_extensions/invertor.c
@@ -0,0 +1,315 @@
+#include <math.h>
+#include "invertor.h"
+#include <memory.h>
+#include <stdio.h>
+#include <stdlib.h>
+
+double pi = 3.1416;
+
+/**
+ * Deallocate memory
+ */
+void invertor_dealloc(Invertor_params *pars) {
+ free(pars->x);
+ free(pars->y);
+ free(pars->err);
+}
+
+void invertor_init(Invertor_params *pars) {
+ pars->d_max = 180;
+ pars->q_min = -1.0;
+ pars->q_max = -1.0;
+ pars->has_bck = 0;
+}
+
+
+/**
+ * P(r) of a sphere, for test purposes
+ *
+ * @param R: radius of the sphere
+ * @param r: distance, in the same units as the radius
+ * @return: P(r)
+ */
+double pr_sphere(double R, double r) {
+ if (r <= 2.0*R) {
+ return 12.0* pow(0.5*r/R, 2.0) * pow(1.0-0.5*r/R, 2.0) * ( 2.0 + 0.5*r/R );
+ } else {
+ return 0.0;
+ }
+}
+
+/**
+ * Orthogonal functions:
+ * B(r) = 2r sin(pi*nr/d)
+ *
+ */
+double ortho(double d_max, int n, double r) {
+ return 2.0*r*sin(pi*n*r/d_max);
+}
+
+/**
+ * Fourier transform of the nth orthogonal function
+ *
+ */
+double ortho_transformed(double d_max, int n, double q) {
+ return 8.0*pow(pi, 2.0)/q * d_max * n * pow(-1.0, n+1)
+ *sin(q*d_max) / ( pow(pi*n, 2.0) - pow(q*d_max, 2.0) );
+}
+
+/**
+ * Slit-smeared Fourier transform of the nth orthogonal function.
+ * Smearing follows Lake, Acta Cryst. (1967) 23, 191.
+ */
+double ortho_transformed_smeared(double d_max, int n, double height, double width, double q, int npts) {
+ double sum, y, z;
+ int i, j, n_height, n_width;
+ double count_w;
+ double fnpts;
+ sum = 0.0;
+ fnpts = (float)npts-1.0;
+
+ // Check for zero slit size
+ n_height = (height>0) ? npts : 1;
+ n_width = (width>0) ? npts : 1;
+
+ count_w = 0.0;
+
+ for(j=0; j<n_height; j++) {
+ if(height>0){
+ z = height/fnpts*(float)j;
+ } else {
+ z = 0.0;
+ }
+
+ for(i=0; i<n_width; i++) {
+ if(width>0){
+ y = -width/2.0+width/fnpts*(float)i;
+ } else {
+ y = 0.0;
+ }
+ if (((q-y)*(q-y)+z*z)<=0.0) continue;
+ count_w += 1.0;
+ sum += ortho_transformed(d_max, n, sqrt((q-y)*(q-y)+z*z));
+ }
+ }
+ return sum/count_w;
+}
+
+/**
+ * First derivative in of the orthogonal function dB(r)/dr
+ *
+ */
+double ortho_derived(double d_max, int n, double r) {
+ return 2.0*sin(pi*n*r/d_max) + 2.0*r*cos(pi*n*r/d_max);
+}
+
+/**
+ * Scattering intensity calculated from the expansion.
+ */
+double iq(double *pars, double d_max, int n_c, double q) {
+ double sum = 0.0;
+ int i;
+ for (i=0; i<n_c; i++) {
+ sum += pars[i] * ortho_transformed(d_max, i+1, q);
+ }
+ return sum;
+}
+
+/**
+ * Scattering intensity calculated from the expansion,
+ * slit-smeared.
+ */
+double iq_smeared(double *pars, double d_max, int n_c, double height, double width, double q, int npts) {
+ double sum = 0.0;
+ int i;
+ for (i=0; i<n_c; i++) {
+ sum += pars[i] * ortho_transformed_smeared(d_max, i+1, height, width, q, npts);
+ }
+ return sum;
+}
+
+/**
+ * P(r) calculated from the expansion.
+ */
+double pr(double *pars, double d_max, int n_c, double r) {
+ double sum = 0.0;
+ int i;
+ for (i=0; i<n_c; i++) {
+ sum += pars[i] * ortho(d_max, i+1, r);
+ }
+ return sum;
+}
+
+/**
+ * P(r) calculated from the expansion, with errors
+ */
+void pr_err(double *pars, double *err, double d_max, int n_c,
+ double r, double *pr_value, double *pr_value_err) {
+ double sum = 0.0;
+ double sum_err = 0.0;
+ double func_value;
+ int i;
+ for (i=0; i<n_c; i++) {
+ func_value = ortho(d_max, i+1, r);
+ sum += pars[i] * func_value;
+ //sum_err += err[i]*err[i]*func_value*func_value;
+ sum_err += err[i*n_c+i]*func_value*func_value;
+ }
+ *pr_value = sum;
+ if (sum_err>0) {
+ *pr_value_err = sqrt(sum_err);
+ } else {
+ *pr_value_err = sum;
+ }
+}
+
+/**
+ * dP(r)/dr calculated from the expansion.
+ */
+double dprdr(double *pars, double d_max, int n_c, double r) {
+ double sum = 0.0;
+ int i;
+ for (i=0; i<n_c; i++) {
+ sum += pars[i] * 2.0*(sin(pi*(i+1)*r/d_max) + pi*(i+1)*r/d_max * cos(pi*(i+1)*r/d_max));
+ }
+ return sum;
+}
+
+/**
+ * regularization term calculated from the expansion.
+ */
+double reg_term(double *pars, double d_max, int n_c, int nslice) {
+ double sum = 0.0;
+ double r;
+ double deriv;
+ int i;
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ deriv = dprdr(pars, d_max, n_c, r);
+ sum += deriv*deriv;
+ }
+ return sum/(1.0*nslice)*d_max;
+}
+
+/**
+ * regularization term calculated from the expansion.
+ */
+double int_p2(double *pars, double d_max, int n_c, int nslice) {
+ double sum = 0.0;
+ double r;
+ double value;
+ int i;
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ value = pr(pars, d_max, n_c, r);
+ sum += value*value;
+ }
+ return sum/(1.0*nslice)*d_max;
+}
+
+/**
+ * Integral of P(r)
+ */
+double int_pr(double *pars, double d_max, int n_c, int nslice) {
+ double sum = 0.0;
+ double r;
+ double value;
+ int i;
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ value = pr(pars, d_max, n_c, r);
+ sum += value;
+ }
+ return sum/(1.0*nslice)*d_max;
+}
+
+/**
+ * Get the number of P(r) peaks.
+ */
+int npeaks(double *pars, double d_max, int n_c, int nslice) {
+ double r;
+ double value;
+ int i;
+ double previous = 0.0;
+ double slope = 0.0;
+ int count = 0;
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ value = pr(pars, d_max, n_c, r);
+ if (previous<=value){
+ //if (slope<0) count += 1;
+ slope = 1;
+ } else {
+ //printf("slope -1");
+ if (slope>0) count += 1;
+ slope = -1;
+ }
+ previous = value;
+ }
+ return count;
+}
+
+/**
+ * Get the fraction of the integral of P(r) over the whole range
+ * of r that is above zero.
+ * A valid P(r) is define as being positive for all r.
+ */
+double positive_integral(double *pars, double d_max, int n_c, int nslice) {
+ double r;
+ double value;
+ int i;
+ double sum_pos = 0.0;
+ double sum = 0.0;
+
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ value = pr(pars, d_max, n_c, r);
+ if (value>0.0) sum_pos += value;
+ sum += fabs(value);
+ }
+ return sum_pos/sum;
+}
+
+/**
+ * Get the fraction of the integral of P(r) over the whole range
+ * of r that is at least one sigma above zero.
+ */
+double positive_errors(double *pars, double *err, double d_max, int n_c, int nslice) {
+ double r;
+ int i;
+ double sum_pos = 0.0;
+ double sum = 0.0;
+ double pr_val;
+ double pr_val_err;
+
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ pr_err(pars, err, d_max, n_c, r, &pr_val, &pr_val_err);
+ if (pr_val>pr_val_err) sum_pos += pr_val;
+ sum += fabs(pr_val);
+
+
+ }
+ return sum_pos/sum;
+}
+
+/**
+ * R_g radius of gyration calculation
+ *
+ * R_g**2 = integral[r**2 * p(r) dr] / (2.0 * integral[p(r) dr])
+ */
+double rg(double *pars, double d_max, int n_c, int nslice) {
+ double sum_r2 = 0.0;
+ double sum = 0.0;
+ double r;
+ double value;
+ int i;
+ for (i=0; i<nslice; i++) {
+ r = d_max/(1.0*nslice)*i;
+ value = pr(pars, d_max, n_c, r);
+ sum += value;
+ sum_r2 += r*r*value;
+ }
+ return sqrt(sum_r2/(2.0*sum));
+}
+
diff --git a/src/sas/sascalc/pr/c_extensions/invertor.h b/src/sas/sascalc/pr/c_extensions/invertor.h
new file mode 100644
index 0000000..ba93f4f
--- /dev/null
+++ b/src/sas/sascalc/pr/c_extensions/invertor.h
@@ -0,0 +1,59 @@
+#if !defined(invertor_h)
+#define invertor_h
+
+/**
+ * Internal data structure for P(r) inversion
+ */
+typedef struct {
+ /// Maximum distance between any two points in the system
+ double d_max;
+ /// q data
+ double *x;
+ /// I(q) data
+ double *y;
+ /// dI(q) data
+ double *err;
+ /// Number of q points
+ int npoints;
+ /// Number of I(q) points
+ int ny;
+ /// Number of dI(q) points
+ int nerr;
+ /// Alpha value
+ double alpha;
+ /// Minimum q to include in inversion
+ double q_min;
+ /// Maximum q to include in inversion
+ double q_max;
+ /// Flag for whether or not to evalute a constant background while inverting
+ int has_bck;
+ /// Slit height in units of q [A-1]
+ double slit_height;
+ /// Slit width in units of q [A-1]
+ double slit_width;
+} Invertor_params;
+
+void invertor_dealloc(Invertor_params *pars);
+
+void invertor_init(Invertor_params *pars);
+
+double pr_sphere(double R, double r);
+double ortho(double d_max, int n, double r);
+double ortho_transformed(double d_max, int n, double q);
+double ortho_derived(double d_max, int n, double r);
+double iq(double *c, double d_max, int n_c, double q);
+double pr(double *c, double d_max, int n_c, double r);
+double dprdr(double *pars, double d_max, int n_c, double r);
+double reg_term(double *pars, double d_max, int n_c, int nslice);
+double int_p2(double *pars, double d_max, int n_c, int nslice);
+void pr_err(double *pars, double *err, double d_max, int n_c,
+ double r, double *pr_value, double *pr_value_err);
+int npeaks(double *pars, double d_max, int n_c, int nslice);
+double positive_integral(double *pars, double d_max, int n_c, int nslice);
+double positive_errors(double *pars, double *err, double d_max, int n_c, int nslice);
+double rg(double *pars, double d_max, int n_c, int nslice);
+double int_pr(double *pars, double d_max, int n_c, int nslice);
+double ortho_transformed_smeared(double d_max, int n, double heigth, double width, double q, int npts);
+double iq_smeared(double *pars, double d_max, int n_c, double height, double width, double q, int npts);
+
+#endif
diff --git a/src/sas/sascalc/pr/distance_explorer.py b/src/sas/sascalc/pr/distance_explorer.py
new file mode 100644
index 0000000..c0a1beb
--- /dev/null
+++ b/src/sas/sascalc/pr/distance_explorer.py
@@ -0,0 +1,107 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+"""
+Module to explore the P(r) inversion results for a range
+of D_max value. User picks a number of points and a range of
+distances, then get a series of outputs as a function of D_max
+over that range.
+"""
+import sys
+
+
+class Results(object):
+ """
+ Class to hold the inversion output parameters
+ as a function of D_max
+ """
+ def __init__(self):
+ """
+ Initialization. Create empty arrays
+ and dictionary of labels.
+ """
+ # Array of output for each inversion
+ self.chi2 = []
+ self.osc = []
+ self.pos = []
+ self.pos_err = []
+ self.rg = []
+ self.iq0 = []
+ self.bck = []
+ self.d_max = []
+ ## List of errors found during the last exploration
+ self.errors = []
+
+
+class DistExplorer(object):
+ """
+ The explorer class
+ """
+
+ def __init__(self, pr_state):
+ """
+ Initialization.
+
+ :param pr_state: sas.sascalc.pr.invertor.Invertor object
+
+ """
+ self.pr_state = pr_state
+ self._default_min = 0.8 * self.pr_state.d_max
+ self._default_max = 1.2 * self.pr_state.d_max
+
+ def __call__(self, dmin=None, dmax=None, npts=10):
+ """
+ Compute the outputs as a function of D_max.
+
+ :param dmin: minimum value for D_max
+ :param dmax: maximum value for D_max
+ :param npts: number of points for D_max
+
+ """
+ # Take care of the defaults if needed
+ if dmin is None:
+ dmin = self._default_min
+
+ if dmax is None:
+ dmax = self._default_max
+
+ # Results object to store the computation outputs.
+ results = Results()
+
+ # Loop over d_max values
+ for i in range(npts):
+ d = dmin + i * (dmax - dmin) / (npts - 1.0)
+ self.pr_state.d_max = d
+ try:
+ out, cov = self.pr_state.invert(self.pr_state.nfunc)
+
+ # Store results
+ iq0 = self.pr_state.iq0(out)
+ rg = self.pr_state.rg(out)
+ pos = self.pr_state.get_positive(out)
+ pos_err = self.pr_state.get_pos_err(out, cov)
+ osc = self.pr_state.oscillations(out)
+
+ results.d_max.append(self.pr_state.d_max)
+ results.bck.append(self.pr_state.background)
+ results.chi2.append(self.pr_state.chi2)
+ results.iq0.append(iq0)
+ results.rg.append(rg)
+ results.pos.append(pos)
+ results.pos_err.append(pos_err)
+ results.osc.append(osc)
+ except:
+ # This inversion failed, skip this D_max value
+ msg = "ExploreDialog: inversion failed for "
+ msg += "D_max=%s\n %s" % (str(d), sys.exc_value)
+ results.errors.append(msg)
+
+ return results
diff --git a/src/sas/sascalc/pr/fit/AbstractFitEngine.py b/src/sas/sascalc/pr/fit/AbstractFitEngine.py
new file mode 100644
index 0000000..71c8d94
--- /dev/null
+++ b/src/sas/sascalc/pr/fit/AbstractFitEngine.py
@@ -0,0 +1,632 @@
+
+import copy
+#import logging
+import sys
+import math
+import numpy
+
+from sas.sascalc.dataloader.data_info import Data1D
+from sas.sascalc.dataloader.data_info import Data2D
+_SMALLVALUE = 1.0e-10
+
+class FitHandler(object):
+ """
+ Abstract interface for fit thread handler.
+
+ The methods in this class are called by the optimizer as the fit
+ progresses.
+
+ Note that it is up to the optimizer to call the fit handler correctly,
+ reporting all status changes and maintaining the 'done' flag.
+ """
+ done = False
+ """True when the fit job is complete"""
+ result = None
+ """The current best result of the fit"""
+
+ def improvement(self):
+ """
+ Called when a result is observed which is better than previous
+ results from the fit.
+
+ result is a FitResult object, with parameters, #calls and fitness.
+ """
+ def error(self, msg):
+ """
+ Model had an error; print traceback
+ """
+ def progress(self, current, expected):
+ """
+ Called each cycle of the fit, reporting the current and the
+ expected amount of work. The meaning of these values is
+ optimizer dependent, but they can be converted into a percent
+ complete using (100*current)//expected.
+
+ Progress is updated each iteration of the fit, whatever that
+ means for the particular optimization algorithm. It is called
+ after any calls to improvement for the iteration so that the
+ update handler can control I/O bandwidth by suppressing
+ intermediate improvements until the fit is complete.
+ """
+ def finalize(self):
+ """
+ Fit is complete; best results are reported
+ """
+ def abort(self):
+ """
+ Fit was aborted.
+ """
+
+ # TODO: not sure how these are used, but they are needed for running the fit
+ def update_fit(self, last=False): pass
+ def set_result(self, result=None): self.result = result
+
+class Model:
+ """
+ Fit wrapper for SAS models.
+ """
+ def __init__(self, sas_model, sas_data=None, **kw):
+ """
+ :param sas_model: the sas model to wrap for fitting
+
+ """
+ self.model = sas_model
+ self.name = sas_model.name
+ self.data = sas_data
+
+ def get_params(self, fitparams):
+ """
+ return a list of value of paramter to fit
+
+ :param fitparams: list of paramaters name to fit
+
+ """
+ return [self.model.getParam(k) for k in fitparams]
+
+ def set_params(self, paramlist, params):
+ """
+ Set value for parameters to fit
+
+ :param params: list of value for parameters to fit
+
+ """
+ for k,v in zip(paramlist, params):
+ self.model.setParam(k,v)
+
+ def set(self, **kw):
+ self.set_params(*zip(*kw.items()))
+
+ def eval(self, x):
+ """
+ Override eval method of model.
+
+ :param x: the x value used to compute a function
+ """
+ try:
+ return self.model.evalDistribution(x)
+ except:
+ raise
+
+ def eval_derivs(self, x, pars=[]):
+ """
+ Evaluate the model and derivatives wrt pars at x.
+
+ pars is a list of the names of the parameters for which derivatives
+ are desired.
+
+ This method needs to be specialized in the model to evaluate the
+ model function. Alternatively, the model can implement is own
+ version of residuals which calculates the residuals directly
+ instead of calling eval.
+ """
+ raise NotImplementedError('no derivatives available')
+
+ def __call__(self, x):
+ return self.eval(x)
+
+class FitData1D(Data1D):
+ """
+ Wrapper class for SAS data
+ FitData1D inherits from DataLoader.data_info.Data1D. Implements
+ a way to get residuals from data.
+ """
+ def __init__(self, x, y, dx=None, dy=None, smearer=None, data=None):
+ """
+ :param smearer: is an object of class QSmearer or SlitSmearer
+ that will smear the theory data (slit smearing or resolution
+ smearing) when set.
+
+ The proper way to set the smearing object would be to
+ do the following: ::
+
+ from sas.sascalc.data_util.qsmearing import smear_selection
+ smearer = smear_selection(some_data)
+ fitdata1d = FitData1D( x= [1,3,..,],
+ y= [3,4,..,8],
+ dx=None,
+ dy=[1,2...], smearer= smearer)
+
+ :Note: that some_data _HAS_ to be of
+ class DataLoader.data_info.Data1D
+ Setting it back to None will turn smearing off.
+
+ """
+ Data1D.__init__(self, x=x, y=y, dx=dx, dy=dy)
+ self.num_points = len(x)
+ self.sas_data = data
+ self.smearer = smearer
+ self._first_unsmeared_bin = None
+ self._last_unsmeared_bin = None
+ # Check error bar; if no error bar found, set it constant(=1)
+ # TODO: Should provide an option for users to set it like percent,
+ # constant, or dy data
+ if dy is None or dy == [] or dy.all() == 0:
+ self.dy = numpy.ones(len(y))
+ else:
+ self.dy = numpy.asarray(dy).copy()
+
+ ## Min Q-value
+ #Skip the Q=0 point, especially when y(q=0)=None at x[0].
+ if min(self.x) == 0.0 and self.x[0] == 0 and\
+ not numpy.isfinite(self.y[0]):
+ self.qmin = min(self.x[self.x != 0])
+ else:
+ self.qmin = min(self.x)
+ ## Max Q-value
+ self.qmax = max(self.x)
+
+ # Range used for input to smearing
+ self._qmin_unsmeared = self.qmin
+ self._qmax_unsmeared = self.qmax
+ # Identify the bin range for the unsmeared and smeared spaces
+ self.idx = (self.x >= self.qmin) & (self.x <= self.qmax)
+ self.idx_unsmeared = (self.x >= self._qmin_unsmeared) \
+ & (self.x <= self._qmax_unsmeared)
+
+ def set_fit_range(self, qmin=None, qmax=None):
+ """ to set the fit range"""
+ # Skip Q=0 point, (especially for y(q=0)=None at x[0]).
+ # ToDo: Find better way to do it.
+ if qmin == 0.0 and not numpy.isfinite(self.y[qmin]):
+ self.qmin = min(self.x[self.x != 0])
+ elif qmin != None:
+ self.qmin = qmin
+ if qmax != None:
+ self.qmax = qmax
+ # Determine the range needed in unsmeared-Q to cover
+ # the smeared Q range
+ self._qmin_unsmeared = self.qmin
+ self._qmax_unsmeared = self.qmax
+
+ self._first_unsmeared_bin = 0
+ self._last_unsmeared_bin = len(self.x) - 1
+
+ if self.smearer != None:
+ self._first_unsmeared_bin, self._last_unsmeared_bin = \
+ self.smearer.get_bin_range(self.qmin, self.qmax)
+ self._qmin_unsmeared = self.x[self._first_unsmeared_bin]
+ self._qmax_unsmeared = self.x[self._last_unsmeared_bin]
+
+ # Identify the bin range for the unsmeared and smeared spaces
+ self.idx = (self.x >= self.qmin) & (self.x <= self.qmax)
+ ## zero error can not participate for fitting
+ self.idx = self.idx & (self.dy != 0)
+ self.idx_unsmeared = (self.x >= self._qmin_unsmeared) \
+ & (self.x <= self._qmax_unsmeared)
+
+ def get_fit_range(self):
+ """
+ Return the range of data.x to fit
+ """
+ return self.qmin, self.qmax
+
+ def size(self):
+ """
+ Number of measurement points in data set after masking, etc.
+ """
+ return len(self.x)
+
+ def residuals(self, fn):
+ """
+ Compute residuals.
+
+ If self.smearer has been set, use if to smear
+ the data before computing chi squared.
+
+ :param fn: function that return model value
+
+ :return: residuals
+ """
+ # Compute theory data f(x)
+ fx = numpy.zeros(len(self.x))
+ fx[self.idx_unsmeared] = fn(self.x[self.idx_unsmeared])
+
+ ## Smear theory data
+ if self.smearer is not None:
+ fx = self.smearer(fx, self._first_unsmeared_bin,
+ self._last_unsmeared_bin)
+ ## Sanity check
+ if numpy.size(self.dy) != numpy.size(fx):
+ msg = "FitData1D: invalid error array "
+ msg += "%d <> %d" % (numpy.shape(self.dy), numpy.size(fx))
+ raise RuntimeError, msg
+ return (self.y[self.idx] - fx[self.idx]) / self.dy[self.idx], fx[self.idx]
+
+ def residuals_deriv(self, model, pars=[]):
+ """
+ :return: residuals derivatives .
+
+ :note: in this case just return empty array
+ """
+ return []
+
+
+class FitData2D(Data2D):
+ """
+ Wrapper class for SAS data
+ """
+ def __init__(self, sas_data2d, data=None, err_data=None):
+ Data2D.__init__(self, data=data, err_data=err_data)
+ # Data can be initialized with a sas plottable or with vectors.
+ self.res_err_image = []
+ self.num_points = 0 # will be set by set_data
+ self.idx = []
+ self.qmin = None
+ self.qmax = None
+ self.smearer = None
+ self.radius = 0
+ self.res_err_data = []
+ self.sas_data = sas_data2d
+ self.set_data(sas_data2d)
+
+ def set_data(self, sas_data2d, qmin=None, qmax=None):
+ """
+ Determine the correct qx_data and qy_data within range to fit
+ """
+ self.data = sas_data2d.data
+ self.err_data = sas_data2d.err_data
+ self.qx_data = sas_data2d.qx_data
+ self.qy_data = sas_data2d.qy_data
+ self.mask = sas_data2d.mask
+
+ x_max = max(math.fabs(sas_data2d.xmin), math.fabs(sas_data2d.xmax))
+ y_max = max(math.fabs(sas_data2d.ymin), math.fabs(sas_data2d.ymax))
+
+ ## fitting range
+ if qmin == None:
+ self.qmin = 1e-16
+ if qmax == None:
+ self.qmax = math.sqrt(x_max * x_max + y_max * y_max)
+ ## new error image for fitting purpose
+ if self.err_data == None or self.err_data == []:
+ self.res_err_data = numpy.ones(len(self.data))
+ else:
+ self.res_err_data = copy.deepcopy(self.err_data)
+ #self.res_err_data[self.res_err_data==0]=1
+
+ self.radius = numpy.sqrt(self.qx_data**2 + self.qy_data**2)
+
+ # Note: mask = True: for MASK while mask = False for NOT to mask
+ self.idx = ((self.qmin <= self.radius) &\
+ (self.radius <= self.qmax))
+ self.idx = (self.idx) & (self.mask)
+ self.idx = (self.idx) & (numpy.isfinite(self.data))
+ self.num_points = numpy.sum(self.idx)
+
+ def set_smearer(self, smearer):
+ """
+ Set smearer
+ """
+ if smearer == None:
+ return
+ self.smearer = smearer
+ self.smearer.set_index(self.idx)
+ self.smearer.get_data()
+
+ def set_fit_range(self, qmin=None, qmax=None):
+ """
+ To set the fit range
+ """
+ if qmin == 0.0:
+ self.qmin = 1e-16
+ elif qmin != None:
+ self.qmin = qmin
+ if qmax != None:
+ self.qmax = qmax
+ self.radius = numpy.sqrt(self.qx_data**2 + self.qy_data**2)
+ self.idx = ((self.qmin <= self.radius) &\
+ (self.radius <= self.qmax))
+ self.idx = (self.idx) & (self.mask)
+ self.idx = (self.idx) & (numpy.isfinite(self.data))
+ self.idx = (self.idx) & (self.res_err_data != 0)
+
+ def get_fit_range(self):
+ """
+ return the range of data.x to fit
+ """
+ return self.qmin, self.qmax
+
+ def size(self):
+ """
+ Number of measurement points in data set after masking, etc.
+ """
+ return numpy.sum(self.idx)
+
+ def residuals(self, fn):
+ """
+ return the residuals
+ """
+ if self.smearer != None:
+ fn.set_index(self.idx)
+ # Get necessary data from self.data and set the data for smearing
+ fn.get_data()
+
+ gn = fn.get_value()
+ else:
+ gn = fn([self.qx_data[self.idx],
+ self.qy_data[self.idx]])
+ # use only the data point within ROI range
+ res = (self.data[self.idx] - gn) / self.res_err_data[self.idx]
+
+ return res, gn
+
+ def residuals_deriv(self, model, pars=[]):
+ """
+ :return: residuals derivatives .
+
+ :note: in this case just return empty array
+
+ """
+ return []
+
+
+class FitAbort(Exception):
+ """
+ Exception raise to stop the fit
+ """
+ #pass
+ #print"Creating fit abort Exception"
+
+
+
+class FitEngine:
+ def __init__(self):
+ """
+ Base class for the fit engine
+ """
+ #Dictionnary of fitArrange element (fit problems)
+ self.fit_arrange_dict = {}
+ self.fitter_id = None
+
+ def set_model(self, model, id, pars=[], constraints=[], data=None):
+ """
+ set a model on a given in the fit engine.
+
+ :param model: sas.models type
+ :param id: is the key of the fitArrange dictionary where model is saved as a value
+ :param pars: the list of parameters to fit
+ :param constraints: list of
+ tuple (name of parameter, value of parameters)
+ the value of parameter must be a string to constraint 2 different
+ parameters.
+ Example:
+ we want to fit 2 model M1 and M2 both have parameters A and B.
+ constraints can be ``constraints = [(M1.A, M2.B+2), (M1.B= M2.A *5),...,]``
+
+
+ :note: pars must contains only name of existing model's parameters
+
+ """
+ if not pars:
+ raise ValueError("no fitting parameters")
+
+ if model is None:
+ raise ValueError("no model to fit")
+
+ if not issubclass(model.__class__, Model):
+ model = Model(model, data)
+
+ sasmodel = model.model
+ available_parameters = sasmodel.getParamList()
+ for p in pars:
+ if p not in available_parameters:
+ raise ValueError("parameter %s not available in model %s; use one of [%s] instead"
+ %(p, sasmodel.name, ", ".join(available_parameters)))
+
+ if id not in self.fit_arrange_dict:
+ self.fit_arrange_dict[id] = FitArrange()
+
+ self.fit_arrange_dict[id].set_model(model)
+ self.fit_arrange_dict[id].pars = pars
+ self.fit_arrange_dict[id].vals = [sasmodel.getParam(name) for name in pars]
+ self.fit_arrange_dict[id].constraints = constraints
+
+ def set_data(self, data, id, smearer=None, qmin=None, qmax=None):
+ """
+ Receives plottable, creates a list of data to fit,set data
+ in a FitArrange object and adds that object in a dictionary
+ with key id.
+
+ :param data: data added
+ :param id: unique key corresponding to a fitArrange object with data
+ """
+ if data.__class__.__name__ == 'Data2D':
+ fitdata = FitData2D(sas_data2d=data, data=data.data,
+ err_data=data.err_data)
+ else:
+ fitdata = FitData1D(x=data.x, y=data.y,
+ dx=data.dx, dy=data.dy, smearer=smearer)
+ fitdata.sas_data = data
+
+ fitdata.set_fit_range(qmin=qmin, qmax=qmax)
+ #A fitArrange is already created but contains model only at id
+ if id in self.fit_arrange_dict:
+ self.fit_arrange_dict[id].add_data(fitdata)
+ else:
+ #no fitArrange object has been create with this id
+ fitproblem = FitArrange()
+ fitproblem.add_data(fitdata)
+ self.fit_arrange_dict[id] = fitproblem
+
+ def get_model(self, id):
+ """
+ :param id: id is key in the dictionary containing the model to return
+
+ :return: a model at this id or None if no FitArrange element was
+ created with this id
+ """
+ if id in self.fit_arrange_dict:
+ return self.fit_arrange_dict[id].get_model()
+ else:
+ return None
+
+ def remove_fit_problem(self, id):
+ """remove fitarrange in id"""
+ if id in self.fit_arrange_dict:
+ del self.fit_arrange_dict[id]
+
+ def select_problem_for_fit(self, id, value):
+ """
+ select a couple of model and data at the id position in dictionary
+ and set in self.selected value to value
+
+ :param value: the value to allow fitting.
+ can only have the value one or zero
+ """
+ if id in self.fit_arrange_dict:
+ self.fit_arrange_dict[id].set_to_fit(value)
+
+ def get_problem_to_fit(self, id):
+ """
+ return the self.selected value of the fit problem of id
+
+ :param id: the id of the problem
+ """
+ if id in self.fit_arrange_dict:
+ self.fit_arrange_dict[id].get_to_fit()
+
+
+class FitArrange:
+ def __init__(self):
+ """
+ Class FitArrange contains a set of data for a given model
+ to perform the Fit.FitArrange must contain exactly one model
+ and at least one data for the fit to be performed.
+
+ model: the model selected by the user
+ Ldata: a list of data what the user wants to fit
+
+ """
+ self.model = None
+ self.data_list = []
+ self.pars = []
+ self.vals = []
+ self.selected = 0
+
+ def set_model(self, model):
+ """
+ set_model save a copy of the model
+
+ :param model: the model being set
+ """
+ self.model = model
+
+ def add_data(self, data):
+ """
+ add_data fill a self.data_list with data to fit
+
+ :param data: Data to add in the list
+ """
+ if not data in self.data_list:
+ self.data_list.append(data)
+
+ def get_model(self):
+ """
+ :return: saved model
+ """
+ return self.model
+
+ def get_data(self):
+ """
+ :return: list of data data_list
+ """
+ return self.data_list[0]
+
+ def remove_data(self, data):
+ """
+ Remove one element from the list
+
+ :param data: Data to remove from data_list
+ """
+ if data in self.data_list:
+ self.data_list.remove(data)
+
+ def set_to_fit(self, value=0):
+ """
+ set self.selected to 0 or 1 for other values raise an exception
+
+ :param value: integer between 0 or 1
+ """
+ self.selected = value
+
+ def get_to_fit(self):
+ """
+ return self.selected value
+ """
+ return self.selected
+
+class FResult(object):
+ """
+ Storing fit result
+ """
+ def __init__(self, model=None, param_list=None, data=None):
+ self.calls = None
+ self.fitness = None
+ self.chisqr = None
+ self.pvec = []
+ self.cov = []
+ self.info = None
+ self.mesg = None
+ self.success = None
+ self.stderr = None
+ self.residuals = []
+ self.index = []
+ self.model = model
+ self.data = data
+ self.theory = []
+ self.param_list = param_list
+ self.iterations = 0
+ self.inputs = []
+ self.fitter_id = None
+ if self.model is not None and self.data is not None:
+ self.inputs = [(self.model, self.data)]
+
+ def set_model(self, model):
+ """
+ """
+ self.model = model
+
+ def set_fitness(self, fitness):
+ """
+ """
+ self.fitness = fitness
+
+ def __str__(self):
+ """
+ """
+ if self.pvec == None and self.model is None and self.param_list is None:
+ return "No results"
+
+ sasmodel = self.model.model
+ pars = enumerate(sasmodel.getParamList())
+ msg1 = "[Iteration #: %s ]" % self.iterations
+ msg3 = "=== goodness of fit: %s ===" % (str(self.fitness))
+ msg2 = ["P%-3d %s......|.....%s" % (i, v, sasmodel.getParam(v))
+ for i,v in pars if v in self.param_list]
+ msg = [msg1, msg3] + msg2
+ return "\n".join(msg)
+
+ def print_summary(self):
+ """
+ """
+ print str(self)
diff --git a/src/sas/sascalc/pr/fit/BumpsFitting.py b/src/sas/sascalc/pr/fit/BumpsFitting.py
new file mode 100644
index 0000000..04a13a7
--- /dev/null
+++ b/src/sas/sascalc/pr/fit/BumpsFitting.py
@@ -0,0 +1,365 @@
+"""
+BumpsFitting module runs the bumps optimizer.
+"""
+import os
+from datetime import timedelta, datetime
+
+import numpy
+
+from bumps import fitters
+try:
+ from bumps.options import FIT_CONFIG
+ # Default bumps to use the Levenberg-Marquardt optimizer
+ FIT_CONFIG.selected_id = fitters.LevenbergMarquardtFit.id
+ def get_fitter():
+ return FIT_CONFIG.selected_fitter, FIT_CONFIG.selected_values
+except:
+ # CRUFT: Bumps changed its handling of fit options around 0.7.5.6
+ # Default bumps to use the Levenberg-Marquardt optimizer
+ fitters.FIT_DEFAULT = 'lm'
+ def get_fitter():
+ fitopts = fitters.FIT_OPTIONS[fitters.FIT_DEFAULT]
+ return fitopts.fitclass, fitopts.options.copy()
+
+
+from bumps.mapper import SerialMapper, MPMapper
+from bumps import parameter
+from bumps.fitproblem import FitProblem
+
+
+from sas.sascalc.fit.AbstractFitEngine import FitEngine
+from sas.sascalc.fit.AbstractFitEngine import FResult
+from sas.sascalc.fit.expression import compile_constraints
+
+class Progress(object):
+ def __init__(self, history, max_step, pars, dof):
+ remaining_time = int(history.time[0]*(float(max_step)/history.step[0]-1))
+ # Depending on the time remaining, either display the expected
+ # time of completion, or the amount of time remaining. Use precision
+ # appropriate for the duration.
+ if remaining_time >= 1800:
+ completion_time = datetime.now() + timedelta(seconds=remaining_time)
+ if remaining_time >= 36000:
+ time = completion_time.strftime('%Y-%m-%d %H:%M')
+ else:
+ time = completion_time.strftime('%H:%M')
+ else:
+ if remaining_time >= 3600:
+ time = '%dh %dm'%(remaining_time//3600, (remaining_time%3600)//60)
+ elif remaining_time >= 60:
+ time = '%dm %ds'%(remaining_time//60, remaining_time%60)
+ else:
+ time = '%ds'%remaining_time
+ chisq = "%.3g"%(2*history.value[0]/dof)
+ step = "%d of %d"%(history.step[0], max_step)
+ header = "=== Steps: %s chisq: %s ETA: %s\n"%(step, chisq, time)
+ parameters = ["%15s: %-10.3g%s"%(k,v,("\n" if i%3==2 else " | "))
+ for i,(k,v) in enumerate(zip(pars,history.point[0]))]
+ self.msg = "".join([header]+parameters)
+
+ def __str__(self):
+ return self.msg
+
+
+class BumpsMonitor(object):
+ def __init__(self, handler, max_step, pars, dof):
+ self.handler = handler
+ self.max_step = max_step
+ self.pars = pars
+ self.dof = dof
+
+ def config_history(self, history):
+ history.requires(time=1, value=2, point=1, step=1)
+
+ def __call__(self, history):
+ if self.handler is None: return
+ self.handler.set_result(Progress(history, self.max_step, self.pars, self.dof))
+ self.handler.progress(history.step[0], self.max_step)
+ if len(history.step)>1 and history.step[1] > history.step[0]:
+ self.handler.improvement()
+ self.handler.update_fit()
+
+class ConvergenceMonitor(object):
+ """
+ ConvergenceMonitor contains population summary statistics to show progress
+ of the fit. This is a list [ (best, 0%, 25%, 50%, 75%, 100%) ] or
+ just a list [ (best, ) ] if population size is 1.
+ """
+ def __init__(self):
+ self.convergence = []
+
+ def config_history(self, history):
+ history.requires(value=1, population_values=1)
+
+ def __call__(self, history):
+ best = history.value[0]
+ try:
+ p = history.population_values[0]
+ n,p = len(p), numpy.sort(p)
+ QI,Qmid, = int(0.2*n),int(0.5*n)
+ self.convergence.append((best, p[0],p[QI],p[Qmid],p[-1-QI],p[-1]))
+ except:
+ self.convergence.append((best, best,best,best,best,best))
+
+
+# Note: currently using bumps parameters for each parameter object so that
+# a SasFitness can be used directly in bumps with the usual semantics.
+# The disadvantage of this technique is that we need to copy every parameter
+# back into the model each time the function is evaluated. We could instead
+# define reference parameters for each sas parameter, but then we would not
+# be able to express constraints using python expressions in the usual way
+# from bumps, and would instead need to use string expressions.
+class SasFitness(object):
+ """
+ Wrap SAS model as a bumps fitness object
+ """
+ def __init__(self, model, data, fitted=[], constraints={},
+ initial_values=None, **kw):
+ self.name = model.name
+ self.model = model.model
+ self.data = data
+ if self.data.smearer is not None:
+ self.data.smearer.model = self.model
+ self._define_pars()
+ self._init_pars(kw)
+ if initial_values is not None:
+ self._reset_pars(fitted, initial_values)
+ self.constraints = dict(constraints)
+ self.set_fitted(fitted)
+ self.update()
+
+ def _reset_pars(self, names, values):
+ for k,v in zip(names, values):
+ self._pars[k].value = v
+
+ def _define_pars(self):
+ self._pars = {}
+ for k in self.model.getParamList():
+ name = ".".join((self.name,k))
+ value = self.model.getParam(k)
+ bounds = self.model.details.get(k,["",None,None])[1:3]
+ self._pars[k] = parameter.Parameter(value=value, bounds=bounds,
+ fixed=True, name=name)
+ #print parameter.summarize(self._pars.values())
+
+ def _init_pars(self, kw):
+ for k,v in kw.items():
+ # dispersion parameters initialized with _field instead of .field
+ if k.endswith('_width'): k = k[:-6]+'.width'
+ elif k.endswith('_npts'): k = k[:-5]+'.npts'
+ elif k.endswith('_nsigmas'): k = k[:-7]+'.nsigmas'
+ elif k.endswith('_type'): k = k[:-5]+'.type'
+ if k not in self._pars:
+ formatted_pars = ", ".join(sorted(self._pars.keys()))
+ raise KeyError("invalid parameter %r for %s--use one of: %s"
+ %(k, self.model, formatted_pars))
+ if '.' in k and not k.endswith('.width'):
+ self.model.setParam(k, v)
+ elif isinstance(v, parameter.BaseParameter):
+ self._pars[k] = v
+ elif isinstance(v, (tuple,list)):
+ low, high = v
+ self._pars[k].value = (low+high)/2
+ self._pars[k].range(low,high)
+ else:
+ self._pars[k].value = v
+
+ def set_fitted(self, param_list):
+ """
+ Flag a set of parameters as fitted parameters.
+ """
+ for k,p in self._pars.items():
+ p.fixed = (k not in param_list or k in self.constraints)
+ self.fitted_par_names = [k for k in param_list if k not in self.constraints]
+ self.computed_par_names = [k for k in param_list if k in self.constraints]
+ self.fitted_pars = [self._pars[k] for k in self.fitted_par_names]
+ self.computed_pars = [self._pars[k] for k in self.computed_par_names]
+
+ # ===== Fitness interface ====
+ def parameters(self):
+ return self._pars
+
+ def update(self):
+ for k,v in self._pars.items():
+ #print "updating",k,v,v.value
+ self.model.setParam(k,v.value)
+ self._dirty = True
+
+ def _recalculate(self):
+ if self._dirty:
+ self._residuals, self._theory \
+ = self.data.residuals(self.model.evalDistribution)
+ self._dirty = False
+
+ def numpoints(self):
+ return numpy.sum(self.data.idx) # number of fitted points
+
+ def nllf(self):
+ return 0.5*numpy.sum(self.residuals()**2)
+
+ def theory(self):
+ self._recalculate()
+ return self._theory
+
+ def residuals(self):
+ self._recalculate()
+ return self._residuals
+
+ # Not implementing the data methods for now:
+ #
+ # resynth_data/restore_data/save/plot
+
+class ParameterExpressions(object):
+ def __init__(self, models):
+ self.models = models
+ self._setup()
+
+ def _setup(self):
+ exprs = {}
+ for M in self.models:
+ exprs.update((".".join((M.name, k)), v) for k, v in M.constraints.items())
+ if exprs:
+ symtab = dict((".".join((M.name, k)), p)
+ for M in self.models
+ for k,p in M.parameters().items())
+ self.update = compile_constraints(symtab, exprs)
+ else:
+ self.update = lambda: 0
+
+ def __call__(self):
+ self.update()
+
+ def __getstate__(self):
+ return self.models
+
+ def __setstate__(self, state):
+ self.models = state
+ self._setup()
+
+class BumpsFit(FitEngine):
+ """
+ Fit a model using bumps.
+ """
+ def __init__(self):
+ """
+ Creates a dictionary (self.fit_arrange_dict={})of FitArrange elements
+ with Uid as keys
+ """
+ FitEngine.__init__(self)
+ self.curr_thread = None
+
+ def fit(self, msg_q=None,
+ q=None, handler=None, curr_thread=None,
+ ftol=1.49012e-8, reset_flag=False):
+ # Build collection of bumps fitness calculators
+ models = [SasFitness(model=M.get_model(),
+ data=M.get_data(),
+ constraints=M.constraints,
+ fitted=M.pars,
+ initial_values=M.vals if reset_flag else None)
+ for M in self.fit_arrange_dict.values()
+ if M.get_to_fit()]
+ if len(models) == 0:
+ raise RuntimeError("Nothing to fit")
+ problem = FitProblem(models)
+
+ # TODO: need better handling of parameter expressions and bounds constraints
+ # so that they are applied during polydispersity calculations. This
+ # will remove the immediate need for the setp_hook in bumps, though
+ # bumps may still need something similar, such as a sane class structure
+ # which allows a subclass to override setp.
+ problem.setp_hook = ParameterExpressions(models)
+
+ # Run the fit
+ result = run_bumps(problem, handler, curr_thread)
+ if handler is not None:
+ handler.update_fit(last=True)
+
+ # TODO: shouldn't reference internal parameters of fit problem
+ varying = problem._parameters
+ # collect the results
+ all_results = []
+ for M in problem.models:
+ fitness = M.fitness
+ fitted_index = [varying.index(p) for p in fitness.fitted_pars]
+ param_list = fitness.fitted_par_names + fitness.computed_par_names
+ R = FResult(model=fitness.model, data=fitness.data,
+ param_list=param_list)
+ R.theory = fitness.theory()
+ R.residuals = fitness.residuals()
+ R.index = fitness.data.idx
+ R.fitter_id = self.fitter_id
+ # TODO: should scale stderr by sqrt(chisq/DOF) if dy is unknown
+ R.success = result['success']
+ if R.success:
+ R.stderr = numpy.hstack((result['stderr'][fitted_index],
+ numpy.NaN*numpy.ones(len(fitness.computed_pars))))
+ R.pvec = numpy.hstack((result['value'][fitted_index],
+ [p.value for p in fitness.computed_pars]))
+ R.fitness = numpy.sum(R.residuals**2)/(fitness.numpoints() - len(fitted_index))
+ else:
+ R.stderr = numpy.NaN*numpy.ones(len(param_list))
+ R.pvec = numpy.asarray( [p.value for p in fitness.fitted_pars+fitness.computed_pars])
+ R.fitness = numpy.NaN
+ R.convergence = result['convergence']
+ if result['uncertainty'] is not None:
+ R.uncertainty_state = result['uncertainty']
+ all_results.append(R)
+
+ if q is not None:
+ q.put(all_results)
+ return q
+ else:
+ return all_results
+
+def run_bumps(problem, handler, curr_thread):
+ def abort_test():
+ if curr_thread is None: return False
+ try: curr_thread.isquit()
+ except KeyboardInterrupt:
+ if handler is not None:
+ handler.stop("Fitting: Terminated!!!")
+ return True
+ return False
+
+ fitclass, options = get_fitter()
+ steps = options.get('steps', 0)
+ if steps == 0:
+ pop = options.get('pop',0)*len(problem._parameters)
+ samples = options.get('samples', 0)
+ steps = (samples+pop-1)/pop if pop != 0 else samples
+ max_step = steps + options.get('burn', 0)
+ pars = [p.name for p in problem._parameters]
+ #x0 = numpy.asarray([p.value for p in problem._parameters])
+ options['monitors'] = [
+ BumpsMonitor(handler, max_step, pars, problem.dof),
+ ConvergenceMonitor(),
+ ]
+ fitdriver = fitters.FitDriver(fitclass, problem=problem,
+ abort_test=abort_test, **options)
+ omp_threads = int(os.environ.get('OMP_NUM_THREADS','0'))
+ mapper = MPMapper if omp_threads == 1 else SerialMapper
+ fitdriver.mapper = mapper.start_mapper(problem, None)
+ #import time; T0 = time.time()
+ try:
+ best, fbest = fitdriver.fit()
+ except:
+ import traceback; traceback.print_exc()
+ raise
+ finally:
+ mapper.stop_mapper(fitdriver.mapper)
+
+
+ convergence_list = options['monitors'][-1].convergence
+ convergence = (2*numpy.asarray(convergence_list)/problem.dof
+ if convergence_list else numpy.empty((0,1),'d'))
+
+ success = best is not None
+ return {
+ 'value': best if success else None,
+ 'stderr': fitdriver.stderr() if success else None,
+ 'success': success,
+ 'convergence': convergence,
+ 'uncertainty': getattr(fitdriver.fitter, 'state', None),
+ }
+
diff --git a/src/sas/sascalc/pr/fit/Loader.py b/src/sas/sascalc/pr/fit/Loader.py
new file mode 100644
index 0000000..18bada0
--- /dev/null
+++ b/src/sas/sascalc/pr/fit/Loader.py
@@ -0,0 +1,86 @@
+# class Loader to load any king of file
+#import wx
+#import string
+import numpy
+
+class Load:
+ """
+ This class is loading values from given file or value giving by the user
+ """
+ def __init__(self, x=None, y=None, dx=None, dy=None):
+ raise NotImplementedError("a code search shows that this code is not active, and you are not seeing this message")
+ # variable to store loaded values
+ self.x = x
+ self.y = y
+ self.dx = dx
+ self.dy = dy
+ self.filename = None
+
+ def set_filename(self, path=None):
+ """
+ Store path into a variable.If the user doesn't give
+ a path as a parameter a pop-up
+ window appears to select the file.
+
+ :param path: the path given by the user
+
+ """
+ self.filename = path
+
+ def get_filename(self):
+ """ return the file's path"""
+ return self.filename
+
+ def set_values(self):
+ """ Store the values loaded from file in local variables"""
+ if not self.filename == None:
+ input_f = open(self.filename, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ self.x = []
+ self.y = []
+ self.dx = []
+ self.dy = []
+ for line in lines:
+ try:
+ toks = line.split()
+ x = float(toks[0])
+ y = float(toks[1])
+ dy = float(toks[2])
+
+ self.x.append(x)
+ self.y.append(y)
+ self.dy.append(dy)
+ self.dx = numpy.zeros(len(self.x))
+ except:
+ print "READ ERROR", line
+ # Sanity check
+ if not len(self.x) == len(self.dx):
+ raise ValueError, "x and dx have different length"
+ if not len(self.y) == len(self.dy):
+ raise ValueError, "y and dy have different length"
+
+
+ def get_values(self):
+ """ Return x, y, dx, dy"""
+ return self.x, self.y, self.dx, self.dy
+
+ def load_data(self, data):
+ """ Return plottable"""
+ #load data
+ data.x = self.x
+ data.y = self.y
+ data.dx = self.dx
+ data.dy = self.dy
+ #Load its View class
+ #plottable.reset_view()
+
+
+if __name__ == "__main__":
+ load = Load()
+ load.set_filename("testdata_line.txt")
+ print load.get_filename()
+ load.set_values()
+ print load.get_values()
+
+
\ No newline at end of file
diff --git a/src/sas/sascalc/pr/fit/__init__.py b/src/sas/sascalc/pr/fit/__init__.py
new file mode 100644
index 0000000..03d3745
--- /dev/null
+++ b/src/sas/sascalc/pr/fit/__init__.py
@@ -0,0 +1 @@
+from .AbstractFitEngine import FitHandler
\ No newline at end of file
diff --git a/src/sas/sascalc/pr/fit/expression.py b/src/sas/sascalc/pr/fit/expression.py
new file mode 100644
index 0000000..21bd9dd
--- /dev/null
+++ b/src/sas/sascalc/pr/fit/expression.py
@@ -0,0 +1,400 @@
+# This program is public domain
+"""
+Parameter expression evaluator.
+
+For systems in which constraints are expressed as string expressions rather
+than python code, :func:`compile_constraints` can construct an expression
+evaluator that substitutes the computed values of the expressions into the
+parameters.
+
+The compiler requires a symbol table, an expression set and a context.
+The symbol table maps strings containing fully qualified names such as
+'M1.c[3].full_width' to parameter objects with a 'value' property that
+can be queried and set. The expression set maps symbol names from the
+symbol table to string expressions. The context provides additional symbols
+for the expressions in addition to the usual mathematical functions and
+constants.
+
+The expressions are compiled and interpreted by python, with only minimal
+effort to make sure that they don't contain bad code. The resulting
+constraints function returns 0 so it can be used directly in a fit problem
+definition.
+
+Extracting the symbol table from the model depends on the structure of the
+model. If fitness.parameters() is set correctly, then this should simply
+be a matter of walking the parameter data, remembering the path to each
+parameter in the symbol table. For compactness, dictionary elements should
+be referenced by .name rather than ["name"]. Model name can be used as the
+top level.
+
+Getting the parameter expressions applied correctly is challenging.
+The following monkey patch works by overriding model_update in FitProblem
+so that after setp(p) is called and, the constraints expression can be
+applied before telling the underlying fitness function that the model
+is out of date::
+
+ # Override model update so that parameter constraints are applied
+ problem._model_update = problem.model_update
+ def model_update():
+ constraints()
+ problem._model_update()
+ problem.model_update = model_update
+
+Ideally, this interface will change
+"""
+import math
+import re
+
+# simple pattern which matches symbols. Note that it will also match
+# invalid substrings such as a3...9, but given syntactically correct
+# input it will only match symbols.
+_symbol_pattern = re.compile('([a-zA-Z_][a-zA-Z_0-9.]*)')
+
+def _symbols(expr,symtab):
+ """
+ Given an expression string and a symbol table, return the set of symbols
+ used in the expression. Symbols are only returned once even if they
+ occur multiple times. The return value is a set with the elements in
+ no particular order.
+
+ This is the first step in computing a dependency graph.
+ """
+ matches = [m.group(0) for m in _symbol_pattern.finditer(expr)]
+ return set([symtab[m] for m in matches if m in symtab])
+
+def _substitute(expr,mapping):
+ """
+ Replace all occurrences of symbol s with mapping[s] for s in mapping.
+ """
+ # Find the symbols and the mapping
+ matches = [(m.start(),m.end(),mapping[m.group(1)])
+ for m in _symbol_pattern.finditer(expr)
+ if m.group(1) in mapping]
+
+ # Split the expression in to pieces, with new symbols replacing old
+ pieces = []
+ offset = 0
+ for start,end,text in matches:
+ pieces += [expr[offset:start],text]
+ offset = end
+ pieces.append(expr[offset:])
+
+ # Join the pieces and return them
+ return "".join(pieces)
+
+def _find_dependencies(symtab, exprs):
+ """
+ Returns a list of pair-wise dependencies from the parameter expressions.
+
+ For example, if p3 = p1+p2, then find_dependencies([p1,p2,p3]) will
+ return [(p3,p1),(p3,p2)]. For base expressions without dependencies,
+ such as p4 = 2*pi, this should return [(p4, None)]
+ """
+ deps = [(target,source)
+ for target,expr in exprs.items()
+ for source in _symbols_or_none(expr,symtab)]
+ return deps
+
+# Hack to deal with expressions without dependencies --- return a fake
+# dependency of None.
+# The better solution is fix order_dependencies so that it takes a
+# dictionary of {symbol: dependency_list}, for which no dependencies
+# is simply []; fix in parameter_mapping as well
+def _symbols_or_none(expr,symtab):
+ syms = _symbols(expr,symtab)
+ return syms if len(syms) else [None]
+
+def _parameter_mapping(pairs):
+ """
+ Find the parameter substitution we need so that expressions can
+ be evaluated without having to traverse a chain of
+ model.layer.parameter.value
+ """
+ left,right = zip(*pairs)
+ pars = list(sorted(p for p in set(left+right) if p is not None))
+ definition = dict( ('P%d'%i,p) for i,p in enumerate(pars) )
+ # p is None when there is an expression with no dependencies
+ substitution = dict( (p,'P%d.value'%i)
+ for i,p in enumerate(sorted(pars))
+ if p is not None)
+ return definition, substitution
+
+def no_constraints():
+ """
+ This parameter set has no constraints between the parameters.
+ """
+ pass
+
+def compile_constraints(symtab, exprs, context={}):
+ """
+ Build and return a function to evaluate all parameter expressions in
+ the proper order.
+
+ Input:
+
+ *symtab* is the symbol table for the model: { 'name': parameter }
+
+ *exprs* is the set of computed symbols: { 'name': 'expression' }
+
+ *context* is any additional context needed to evaluate the expression
+
+ Return:
+
+ updater function which sets parameter.value for each expression
+
+ Raises:
+
+ AssertionError - model, parameter or function is missing
+
+ SyntaxError - improper expression syntax
+
+ ValueError - expressions have circular dependencies
+
+ This function is not terribly sophisticated, and it would be easy to
+ trick. However it handles the common cases cleanly and generates
+ reasonable messages for the common errors.
+
+ This code has not been fully audited for security. While we have
+ removed the builtins and the ability to import modules, there may
+ be other vectors for users to perform more than simple function
+ evaluations. Unauthenticated users should not be running this code.
+
+ Parameter names are assumed to contain only _.a-zA-Z0-9#[]
+
+ Both names are provided for inverse functions, e.g., acos and arccos.
+
+ Should try running the function to identify syntax errors before
+ running it in a fit.
+
+ Use help(fn) to see the code generated for the returned function fn.
+ dis.dis(fn) will show the corresponding python vm instructions.
+ """
+
+ # Sort the parameters in the order they need to be evaluated
+ deps = _find_dependencies(symtab, exprs)
+ if deps == []: return no_constraints
+ order = order_dependencies(deps)
+
+
+ # Rather than using the full path to the parameters in the parameter
+ # expressions, instead use Pn, and substitute Pn.value for each occurrence
+ # of the parameter in the expression.
+ names = list(sorted(symtab.keys()))
+ parameters = dict(('P%d'%i, symtab[k]) for i,k in enumerate(names))
+ mapping = dict((k, 'P%d.value'%i) for i,k in enumerate(names))
+
+
+ # Initialize dictionary with available functions
+ globals = {}
+ globals.update(math.__dict__)
+ globals.update(dict(arcsin=math.asin,arccos=math.acos,
+ arctan=math.atan,arctan2=math.atan2))
+ globals.update(context)
+ globals.update(parameters)
+ globals['id'] = id
+ locals = {}
+
+ # Define the constraints function
+ assignments = ["=".join((p,exprs[p])) for p in order]
+ code = [_substitute(s, mapping) for s in assignments]
+ functiondef = """
+def eval_expressions():
+ '''
+ %s
+ '''
+ %s
+ return 0
+"""%("\n ".join(assignments),"\n ".join(code))
+
+ #print("Function: "+functiondef)
+ exec functiondef in globals,locals
+ retfn = locals['eval_expressions']
+
+ # Remove garbage added to globals by exec
+ globals.pop('__doc__',None)
+ globals.pop('__name__',None)
+ globals.pop('__file__',None)
+ globals.pop('__builtins__')
+ #print globals.keys()
+
+ return retfn
+
+def order_dependencies(pairs):
+ """
+ Order elements from pairs so that b comes before a in the
+ ordered list for all pairs (a,b).
+ """
+ #print "order_dependencies",pairs
+ emptyset = set()
+ order = []
+
+ # Break pairs into left set and right set
+ left,right = [set(s) for s in zip(*pairs)] if pairs != [] else ([],[])
+ while pairs != []:
+ #print "within",pairs
+ # Find which items only occur on the right
+ independent = right - left
+ if independent == emptyset:
+ cycleset = ", ".join(str(s) for s in left)
+ raise ValueError,"Cyclic dependencies amongst %s"%cycleset
+
+ # The possibly resolvable items are those that depend on the independents
+ dependent = set([a for a,b in pairs if b in independent])
+ pairs = [(a,b) for a,b in pairs if b not in independent]
+ if pairs == []:
+ resolved = dependent
+ else:
+ left,right = [set(s) for s in zip(*pairs)]
+ resolved = dependent - left
+ #print "independent",independent,"dependent",dependent,"resolvable",resolved
+ order += resolved
+ #print "new order",order
+ order.reverse()
+ return order
+
+# ========= Test code ========
+def _check(msg,pairs):
+ """
+ Verify that the list n contains the given items, and that the list
+ satisfies the partial ordering given by the pairs in partial order.
+ """
+ left,right = zip(*pairs) if pairs != [] else ([],[])
+ items = set(left)
+ n = order_dependencies(pairs)
+ if set(n) != items or len(n) != len(items):
+ n.sort()
+ items = list(items); items.sort()
+ raise Exception,"%s expect %s to contain %s for %s"%(msg,n,items,pairs)
+ for lo,hi in pairs:
+ if lo in n and hi in n and n.index(lo) >= n.index(hi):
+ raise Exception,"%s expect %s before %s in %s for %s"%(msg,lo,hi,n,pairs)
+
+def test_deps():
+ import numpy
+
+ # Null case
+ _check("test empty",[])
+
+ # Some dependencies
+ _check("test1",[(2,7),(1,5),(1,4),(2,1),(3,1),(5,6)])
+ _check("test1 renumbered",[(6,1),(7,3),(7,4),(6,7),(5,7),(3,2)])
+ _check("test1 numpy",numpy.array([(2,7),(1,5),(1,4),(2,1),(3,1),(5,6)]))
+
+ # No dependencies
+ _check("test2",[(4,1),(3,2),(8,4)])
+
+ # Cycle test
+ pairs = [(1,4),(4,3),(4,5),(5,1)]
+ try: n = order_dependencies(pairs)
+ except ValueError: pass
+ else: raise Exception,"test3 expect ValueError exception for %s"%(pairs,)
+
+ # large test for gross speed check
+ A = numpy.random.randint(4000,size=(1000,2))
+ A[:,1] += 4000 # Avoid cycles
+ _check("test-large",A)
+
+ # depth tests
+ k = 200
+ A = numpy.array([range(0,k),range(1,k+1)]).T
+ _check("depth-1",A)
+
+ A = numpy.array([range(1,k+1),range(0,k)]).T
+ _check("depth-2",A)
+
+def test_expr():
+ import inspect, dis
+ import math
+
+ symtab = {'a.b.x':1, 'a.c':2, 'a.b':3, 'b.x':4}
+ expr = 'a.b.x + sin(4*pi*a.c) + a.b.x/a.b'
+
+ # Check symbol lookup
+ assert _symbols(expr, symtab) == set([1,2,3])
+
+ # Check symbol rename
+ assert _substitute(expr,{'a.b.x':'Q'}) == 'Q + sin(4*pi*a.c) + Q/a.b'
+ assert _substitute(expr,{'a.b':'Q'}) == 'a.b.x + sin(4*pi*a.c) + a.b.x/Q'
+
+
+ # Check dependency builder
+ # Fake parameter class
+ class Parameter:
+ def __init__(self, name, value=0, expression=''):
+ self.path = name
+ self.value = value
+ self.expression = expression
+ def iscomputed(self): return (self.expression != '')
+ def __repr__(self): return self.path
+ def world(*pars):
+ symtab = dict((p.path,p) for p in pars)
+ exprs = dict((p.path,p.expression) for p in pars if p.iscomputed())
+ return symtab, exprs
+ p1 = Parameter('G0.sigma',5)
+ p2 = Parameter('other',expression='2*pi*sin(G0.sigma/.1875) + M1.G1')
+ p3 = Parameter('M1.G1',6)
+ p4 = Parameter('constant',expression='2*pi*35')
+ # Simple chain
+ assert set(_find_dependencies(*world(p1,p2,p3))) == set([(p2.path,p1),(p2.path,p3)])
+ # Constant expression
+ assert set(_find_dependencies(*world(p1,p4))) == set([(p4.path,None)])
+ # No dependencies
+ assert set(_find_dependencies(*world(p1,p3))) == set([])
+
+ # Check function builder
+ fn = compile_constraints(*world(p1,p2,p3))
+
+ # Inspect the resulting function
+ if 0:
+ print(inspect.getdoc(fn))
+ print(dis.dis(fn))
+
+ # Evaluate the function and see if it updates the
+ # target value as expected
+ fn()
+ expected = 2*math.pi*math.sin(5/.1875) + 6
+ assert p2.value == expected,"Value was %s, not %s"%(p2.value,expected)
+
+ # Check empty dependency set doesn't crash
+ fn = compile_constraints(*world(p1,p3))
+ fn()
+
+ # Check that constants are evaluated properly
+ fn = compile_constraints(*world(p4))
+ fn()
+ assert p4.value == 2*math.pi*35
+
+ # Check additional context example; this also tests multiple
+ # expressions
+ class Table:
+ Si = 2.09
+ values = {'Si': 2.07}
+ tbl = Table()
+ p5 = Parameter('lookup',expression="tbl.Si")
+ fn = compile_constraints(*world(p1,p2,p3,p5),context=dict(tbl=tbl))
+ fn()
+ assert p5.value == 2.09,"Value for %s was %s"%(p5.expression,p5.value)
+ p5.expression = "tbl.values['Si']"
+ fn = compile_constraints(*world(p1,p2,p3,p5),context=dict(tbl=tbl))
+ fn()
+ assert p5.value == 2.07,"Value for %s was %s"%(p5.expression,p5.value)
+
+
+ # Verify that we capture invalid expressions
+ for expr in ['G4.cage', 'M0.cage', 'M1.G1 + *2',
+ 'piddle',
+ '5; import sys; print "p0wned"',
+ '__import__("sys").argv']:
+ try:
+ p6 = Parameter('broken',expression=expr)
+ fn = compile_constraints(*world(p6))
+ fn()
+ except Exception as msg:
+ #print(msg)
+ pass
+ else:
+ raise "Failed to raise error for %s"%expr
+
+if __name__ == "__main__":
+ test_expr()
+ test_deps()
diff --git a/src/sas/sascalc/pr/invertor.py b/src/sas/sascalc/pr/invertor.py
new file mode 100644
index 0000000..c436c48
--- /dev/null
+++ b/src/sas/sascalc/pr/invertor.py
@@ -0,0 +1,754 @@
+# pylint: disable=invalid-name
+"""
+Module to perform P(r) inversion.
+The module contains the Invertor class.
+
+FIXME: The way the Invertor interacts with its C component should be cleaned up
+"""
+
+import numpy
+import sys
+import math
+import time
+import copy
+import os
+import re
+import logging
+from numpy.linalg import lstsq
+from scipy import optimize
+from sas.sascalc.pr.core.pr_inversion import Cinvertor
+
+def help():
+ """
+ Provide general online help text
+ Future work: extend this function to allow topic selection
+ """
+ info_txt = "The inversion approach is based on Moore, J. Appl. Cryst. "
+ info_txt += "(1980) 13, 168-175.\n\n"
+ info_txt += "P(r) is set to be equal to an expansion of base functions "
+ info_txt += "of the type "
+ info_txt += "phi_n(r) = 2*r*sin(pi*n*r/D_max). The coefficient of each "
+ info_txt += "base functions "
+ info_txt += "in the expansion is found by performing a least square fit "
+ info_txt += "with the "
+ info_txt += "following fit function:\n\n"
+ info_txt += "chi**2 = sum_i[ I_meas(q_i) - I_th(q_i) ]**2/error**2 +"
+ info_txt += "Reg_term\n\n"
+ info_txt += "where I_meas(q) is the measured scattering intensity and "
+ info_txt += "I_th(q) is "
+ info_txt += "the prediction from the Fourier transform of the P(r) "
+ info_txt += "expansion. "
+ info_txt += "The Reg_term term is a regularization term set to the second"
+ info_txt += " derivative "
+ info_txt += "d**2P(r)/dr**2 integrated over r. It is used to produce "
+ info_txt += "a smooth P(r) output.\n\n"
+ info_txt += "The following are user inputs:\n\n"
+ info_txt += " - Number of terms: the number of base functions in the P(r)"
+ info_txt += " expansion.\n\n"
+ info_txt += " - Regularization constant: a multiplicative constant "
+ info_txt += "to set the size of "
+ info_txt += "the regularization term.\n\n"
+ info_txt += " - Maximum distance: the maximum distance between any "
+ info_txt += "two points in the system.\n"
+
+ return info_txt
+
+
+class Invertor(Cinvertor):
+ """
+ Invertor class to perform P(r) inversion
+
+ The problem is solved by posing the problem as Ax = b,
+ where x is the set of coefficients we are looking for.
+
+ Npts is the number of points.
+
+ In the following i refers to the ith base function coefficient.
+ The matrix has its entries j in its first Npts rows set to ::
+
+ A[j][i] = (Fourier transformed base function for point j)
+
+ We them choose a number of r-points, n_r, to evaluate the second
+ derivative of P(r) at. This is used as our regularization term.
+ For a vector r of length n_r, the following n_r rows are set to ::
+
+ A[j+Npts][i] = (2nd derivative of P(r), d**2(P(r))/d(r)**2,
+ evaluated at r[j])
+
+ The vector b has its first Npts entries set to ::
+
+ b[j] = (I(q) observed for point j)
+
+ The following n_r entries are set to zero.
+
+ The result is found by using scipy.linalg.basic.lstsq to invert
+ the matrix and find the coefficients x.
+
+ Methods inherited from Cinvertor:
+
+ * ``get_peaks(pars)``: returns the number of P(r) peaks
+ * ``oscillations(pars)``: returns the oscillation parameters for the output P(r)
+ * ``get_positive(pars)``: returns the fraction of P(r) that is above zero
+ * ``get_pos_err(pars)``: returns the fraction of P(r) that is 1-sigma above zero
+ """
+ ## Chisqr of the last computation
+ chi2 = 0
+ ## Time elapsed for last computation
+ elapsed = 0
+ ## Alpha to get the reg term the same size as the signal
+ suggested_alpha = 0
+ ## Last number of base functions used
+ nfunc = 10
+ ## Last output values
+ out = None
+ ## Last errors on output values
+ cov = None
+ ## Background value
+ background = 0
+ ## Information dictionary for application use
+ info = {}
+
+ def __init__(self):
+ Cinvertor.__init__(self)
+
+ def __setstate__(self, state):
+ """
+ restore the state of invertor for pickle
+ """
+ (self.__dict__, self.alpha, self.d_max,
+ self.q_min, self.q_max,
+ self.x, self.y,
+ self.err, self.has_bck,
+ self.slit_height, self.slit_width) = state
+
+ def __reduce_ex__(self, proto):
+ """
+ Overwrite the __reduce_ex__
+ """
+
+ state = (self.__dict__,
+ self.alpha, self.d_max,
+ self.q_min, self.q_max,
+ self.x, self.y,
+ self.err, self.has_bck,
+ self.slit_height, self.slit_width,
+ )
+ return (Invertor, tuple(), state, None, None)
+
+ def __setattr__(self, name, value):
+ """
+ Set the value of an attribute.
+ Access the parent class methods for
+ x, y, err, d_max, q_min, q_max and alpha
+ """
+ if name == 'x':
+ if 0.0 in value:
+ msg = "Invertor: one of your q-values is zero. "
+ msg += "Delete that entry before proceeding"
+ raise ValueError, msg
+ return self.set_x(value)
+ elif name == 'y':
+ return self.set_y(value)
+ elif name == 'err':
+ value2 = abs(value)
+ return self.set_err(value2)
+ elif name == 'd_max':
+ if value <= 0.0:
+ msg = "Invertor: d_max must be greater than zero."
+ msg += "Correct that entry before proceeding"
+ raise ValueError, msg
+ return self.set_dmax(value)
+ elif name == 'q_min':
+ if value == None:
+ return self.set_qmin(-1.0)
+ return self.set_qmin(value)
+ elif name == 'q_max':
+ if value == None:
+ return self.set_qmax(-1.0)
+ return self.set_qmax(value)
+ elif name == 'alpha':
+ return self.set_alpha(value)
+ elif name == 'slit_height':
+ return self.set_slit_height(value)
+ elif name == 'slit_width':
+ return self.set_slit_width(value)
+ elif name == 'has_bck':
+ if value == True:
+ return self.set_has_bck(1)
+ elif value == False:
+ return self.set_has_bck(0)
+ else:
+ raise ValueError, "Invertor: has_bck can only be True or False"
+
+ return Cinvertor.__setattr__(self, name, value)
+
+ def __getattr__(self, name):
+ """
+ Return the value of an attribute
+ """
+ #import numpy
+ if name == 'x':
+ out = numpy.ones(self.get_nx())
+ self.get_x(out)
+ return out
+ elif name == 'y':
+ out = numpy.ones(self.get_ny())
+ self.get_y(out)
+ return out
+ elif name == 'err':
+ out = numpy.ones(self.get_nerr())
+ self.get_err(out)
+ return out
+ elif name == 'd_max':
+ return self.get_dmax()
+ elif name == 'q_min':
+ qmin = self.get_qmin()
+ if qmin < 0:
+ return None
+ return qmin
+ elif name == 'q_max':
+ qmax = self.get_qmax()
+ if qmax < 0:
+ return None
+ return qmax
+ elif name == 'alpha':
+ return self.get_alpha()
+ elif name == 'slit_height':
+ return self.get_slit_height()
+ elif name == 'slit_width':
+ return self.get_slit_width()
+ elif name == 'has_bck':
+ value = self.get_has_bck()
+ if value == 1:
+ return True
+ else:
+ return False
+ elif name in self.__dict__:
+ return self.__dict__[name]
+ return None
+
+ def clone(self):
+ """
+ Return a clone of this instance
+ """
+ #import copy
+
+ invertor = Invertor()
+ invertor.chi2 = self.chi2
+ invertor.elapsed = self.elapsed
+ invertor.nfunc = self.nfunc
+ invertor.alpha = self.alpha
+ invertor.d_max = self.d_max
+ invertor.q_min = self.q_min
+ invertor.q_max = self.q_max
+
+ invertor.x = self.x
+ invertor.y = self.y
+ invertor.err = self.err
+ invertor.has_bck = self.has_bck
+ invertor.slit_height = self.slit_height
+ invertor.slit_width = self.slit_width
+
+ invertor.info = copy.deepcopy(self.info)
+
+ return invertor
+
+ def invert(self, nfunc=10, nr=20):
+ """
+ Perform inversion to P(r)
+
+ The problem is solved by posing the problem as Ax = b,
+ where x is the set of coefficients we are looking for.
+
+ Npts is the number of points.
+
+ In the following i refers to the ith base function coefficient.
+ The matrix has its entries j in its first Npts rows set to ::
+
+ A[i][j] = (Fourier transformed base function for point j)
+
+ We them choose a number of r-points, n_r, to evaluate the second
+ derivative of P(r) at. This is used as our regularization term.
+ For a vector r of length n_r, the following n_r rows are set to ::
+
+ A[i+Npts][j] = (2nd derivative of P(r), d**2(P(r))/d(r)**2, evaluated at r[j])
+
+ The vector b has its first Npts entries set to ::
+
+ b[j] = (I(q) observed for point j)
+
+ The following n_r entries are set to zero.
+
+ The result is found by using scipy.linalg.basic.lstsq to invert
+ the matrix and find the coefficients x.
+
+ :param nfunc: number of base functions to use.
+ :param nr: number of r points to evaluate the 2nd derivative at for the reg. term.
+ :return: c_out, c_cov - the coefficients with covariance matrix
+ """
+ # Reset the background value before proceeding
+ self.background = 0.0
+ return self.lstsq(nfunc, nr=nr)
+
+ def iq(self, out, q):
+ """
+ Function to call to evaluate the scattering intensity
+
+ :param args: c-parameters, and q
+ :return: I(q)
+
+ """
+ return Cinvertor.iq(self, out, q) + self.background
+
+ def invert_optimize(self, nfunc=10, nr=20):
+ """
+ Slower version of the P(r) inversion that uses scipy.optimize.leastsq.
+
+ This probably produce more reliable results, but is much slower.
+ The minimization function is set to
+ sum_i[ (I_obs(q_i) - I_theo(q_i))/err**2 ] + alpha * reg_term,
+ where the reg_term is given by Svergun: it is the integral of
+ the square of the first derivative
+ of P(r), d(P(r))/dr, integrated over the full range of r.
+
+ :param nfunc: number of base functions to use.
+ :param nr: number of r points to evaluate the 2nd derivative at
+ for the reg. term.
+
+ :return: c_out, c_cov - the coefficients with covariance matrix
+
+ """
+ self.nfunc = nfunc
+ # First, check that the current data is valid
+ if self.is_valid() <= 0:
+ msg = "Invertor.invert: Data array are of different length"
+ raise RuntimeError, msg
+
+ p = numpy.ones(nfunc)
+ t_0 = time.time()
+ out, cov_x, _, _, _ = optimize.leastsq(self.residuals, p, full_output=1)
+
+ # Compute chi^2
+ res = self.residuals(out)
+ chisqr = 0
+ for i in range(len(res)):
+ chisqr += res[i]
+
+ self.chi2 = chisqr
+
+ # Store computation time
+ self.elapsed = time.time() - t_0
+
+ if cov_x is None:
+ cov_x = numpy.ones([nfunc, nfunc])
+ cov_x *= math.fabs(chisqr)
+ return out, cov_x
+
+ def pr_fit(self, nfunc=5):
+ """
+ This is a direct fit to a given P(r). It assumes that the y data
+ is set to some P(r) distribution that we are trying to reproduce
+ with a set of base functions.
+
+ This method is provided as a test.
+ """
+ # First, check that the current data is valid
+ if self.is_valid() <= 0:
+ msg = "Invertor.invert: Data arrays are of different length"
+ raise RuntimeError, msg
+
+ p = numpy.ones(nfunc)
+ t_0 = time.time()
+ out, cov_x, _, _, _ = optimize.leastsq(self.pr_residuals, p, full_output=1)
+
+ # Compute chi^2
+ res = self.pr_residuals(out)
+ chisqr = 0
+ for i in range(len(res)):
+ chisqr += res[i]
+
+ self.chisqr = chisqr
+
+ # Store computation time
+ self.elapsed = time.time() - t_0
+
+ return out, cov_x
+
+ def pr_err(self, c, c_cov, r):
+ """
+ Returns the value of P(r) for a given r, and base function
+ coefficients, with error.
+
+ :param c: base function coefficients
+ :param c_cov: covariance matrice of the base function coefficients
+ :param r: r-value to evaluate P(r) at
+
+ :return: P(r)
+
+ """
+ return self.get_pr_err(c, c_cov, r)
+
+ def _accept_q(self, q):
+ """
+ Check q-value against user-defined range
+ """
+ if not self.q_min == None and q < self.q_min:
+ return False
+ if not self.q_max == None and q > self.q_max:
+ return False
+ return True
+
+ def lstsq(self, nfunc=5, nr=20):
+ """
+ The problem is solved by posing the problem as Ax = b,
+ where x is the set of coefficients we are looking for.
+
+ Npts is the number of points.
+
+ In the following i refers to the ith base function coefficient.
+ The matrix has its entries j in its first Npts rows set to ::
+
+ A[i][j] = (Fourier transformed base function for point j)
+
+ We them choose a number of r-points, n_r, to evaluate the second
+ derivative of P(r) at. This is used as our regularization term.
+ For a vector r of length n_r, the following n_r rows are set to ::
+
+ A[i+Npts][j] = (2nd derivative of P(r), d**2(P(r))/d(r)**2,
+ evaluated at r[j])
+
+ The vector b has its first Npts entries set to ::
+
+ b[j] = (I(q) observed for point j)
+
+ The following n_r entries are set to zero.
+
+ The result is found by using scipy.linalg.basic.lstsq to invert
+ the matrix and find the coefficients x.
+
+ :param nfunc: number of base functions to use.
+ :param nr: number of r points to evaluate the 2nd derivative at for the reg. term.
+
+ If the result does not allow us to compute the covariance matrix,
+ a matrix filled with zeros will be returned.
+
+ """
+ # Note: To make sure an array is contiguous:
+ # blah = numpy.ascontiguousarray(blah_original)
+ # ... before passing it to C
+
+ if self.is_valid() < 0:
+ msg = "Invertor: invalid data; incompatible data lengths."
+ raise RuntimeError, msg
+
+ self.nfunc = nfunc
+ # a -- An M x N matrix.
+ # b -- An M x nrhs matrix or M vector.
+ npts = len(self.x)
+ nq = nr
+ sqrt_alpha = math.sqrt(math.fabs(self.alpha))
+ if sqrt_alpha < 0.0:
+ nq = 0
+
+ # If we need to fit the background, add a term
+ if self.has_bck == True:
+ nfunc_0 = nfunc
+ nfunc += 1
+
+ a = numpy.zeros([npts + nq, nfunc])
+ b = numpy.zeros(npts + nq)
+ err = numpy.zeros([nfunc, nfunc])
+
+ # Construct the a matrix and b vector that represent the problem
+ t_0 = time.time()
+ try:
+ self._get_matrix(nfunc, nq, a, b)
+ except:
+ raise RuntimeError, "Invertor: could not invert I(Q)\n %s" % sys.exc_value
+
+ # Perform the inversion (least square fit)
+ c, chi2, _, _ = lstsq(a, b)
+ # Sanity check
+ try:
+ float(chi2)
+ except:
+ chi2 = -1.0
+ self.chi2 = chi2
+
+ inv_cov = numpy.zeros([nfunc, nfunc])
+ # Get the covariance matrix, defined as inv_cov = a_transposed * a
+ self._get_invcov_matrix(nfunc, nr, a, inv_cov)
+
+ # Compute the reg term size for the output
+ sum_sig, sum_reg = self._get_reg_size(nfunc, nr, a)
+
+ if math.fabs(self.alpha) > 0:
+ new_alpha = sum_sig / (sum_reg / self.alpha)
+ else:
+ new_alpha = 0.0
+ self.suggested_alpha = new_alpha
+
+ try:
+ cov = numpy.linalg.pinv(inv_cov)
+ err = math.fabs(chi2 / float(npts - nfunc)) * cov
+ except:
+ # We were not able to estimate the errors
+ # Return an empty error matrix
+ logging.error(sys.exc_value)
+
+ # Keep a copy of the last output
+ if self.has_bck == False:
+ self.background = 0
+ self.out = c
+ self.cov = err
+ else:
+ self.background = c[0]
+
+ err_0 = numpy.zeros([nfunc, nfunc])
+ c_0 = numpy.zeros(nfunc)
+
+ for i in range(nfunc_0):
+ c_0[i] = c[i + 1]
+ for j in range(nfunc_0):
+ err_0[i][j] = err[i + 1][j + 1]
+
+ self.out = c_0
+ self.cov = err_0
+
+ # Store computation time
+ self.elapsed = time.time() - t_0
+
+ return self.out, self.cov
+
+ def estimate_numterms(self, isquit_func=None):
+ """
+ Returns a reasonable guess for the
+ number of terms
+
+ :param isquit_func:
+ reference to thread function to call to check whether the computation needs to
+ be stopped.
+
+ :return: number of terms, alpha, message
+
+ """
+ from num_term import NTermEstimator
+ estimator = NTermEstimator(self.clone())
+ try:
+ return estimator.num_terms(isquit_func)
+ except:
+ # If we fail, estimate alpha and return the default
+ # number of terms
+ best_alpha, _, _ = self.estimate_alpha(self.nfunc)
+ logging.warning("Invertor.estimate_numterms: %s" % sys.exc_value)
+ return self.nfunc, best_alpha, "Could not estimate number of terms"
+
+ def estimate_alpha(self, nfunc):
+ """
+ Returns a reasonable guess for the
+ regularization constant alpha
+
+ :param nfunc: number of terms to use in the expansion.
+
+ :return: alpha, message, elapsed
+
+ where alpha is the estimate for alpha,
+ message is a message for the user,
+ elapsed is the computation time
+ """
+ #import time
+ try:
+ pr = self.clone()
+
+ # T_0 for computation time
+ starttime = time.time()
+ elapsed = 0
+
+ # If the current alpha is zero, try
+ # another value
+ if pr.alpha <= 0:
+ pr.alpha = 0.0001
+
+ # Perform inversion to find the largest alpha
+ out, _ = pr.invert(nfunc)
+ elapsed = time.time() - starttime
+ initial_alpha = pr.alpha
+ initial_peaks = pr.get_peaks(out)
+
+ # Try the inversion with the estimated alpha
+ pr.alpha = pr.suggested_alpha
+ out, _ = pr.invert(nfunc)
+
+ npeaks = pr.get_peaks(out)
+ # if more than one peak to start with
+ # just return the estimate
+ if npeaks > 1:
+ #message = "Your P(r) is not smooth,
+ #please check your inversion parameters"
+ message = None
+ return pr.suggested_alpha, message, elapsed
+ else:
+
+ # Look at smaller values
+ # We assume that for the suggested alpha, we have 1 peak
+ # if not, send a message to change parameters
+ alpha = pr.suggested_alpha
+ best_alpha = pr.suggested_alpha
+ found = False
+ for i in range(10):
+ pr.alpha = (0.33) ** (i + 1) * alpha
+ out, _ = pr.invert(nfunc)
+
+ peaks = pr.get_peaks(out)
+ if peaks > 1:
+ found = True
+ break
+ best_alpha = pr.alpha
+
+ # If we didn't find a turning point for alpha and
+ # the initial alpha already had only one peak,
+ # just return that
+ if not found and initial_peaks == 1 and \
+ initial_alpha < best_alpha:
+ best_alpha = initial_alpha
+
+ # Check whether the size makes sense
+ message = ''
+
+ if not found:
+ message = None
+ elif best_alpha >= 0.5 * pr.suggested_alpha:
+ # best alpha is too big, return a
+ # reasonable value
+ message = "The estimated alpha for your system is too "
+ message += "large. "
+ message += "Try increasing your maximum distance."
+
+ return best_alpha, message, elapsed
+
+ except:
+ message = "Invertor.estimate_alpha: %s" % sys.exc_value
+ return 0, message, elapsed
+
+ def to_file(self, path, npts=100):
+ """
+ Save the state to a file that will be readable
+ by SliceView.
+
+ :param path: path of the file to write
+ :param npts: number of P(r) points to be written
+
+ """
+ file = open(path, 'w')
+ file.write("#d_max=%g\n" % self.d_max)
+ file.write("#nfunc=%g\n" % self.nfunc)
+ file.write("#alpha=%g\n" % self.alpha)
+ file.write("#chi2=%g\n" % self.chi2)
+ file.write("#elapsed=%g\n" % self.elapsed)
+ file.write("#qmin=%s\n" % str(self.q_min))
+ file.write("#qmax=%s\n" % str(self.q_max))
+ file.write("#slit_height=%g\n" % self.slit_height)
+ file.write("#slit_width=%g\n" % self.slit_width)
+ file.write("#background=%g\n" % self.background)
+ if self.has_bck == True:
+ file.write("#has_bck=1\n")
+ else:
+ file.write("#has_bck=0\n")
+ file.write("#alpha_estimate=%g\n" % self.suggested_alpha)
+ if not self.out == None:
+ if len(self.out) == len(self.cov):
+ for i in range(len(self.out)):
+ file.write("#C_%i=%s+-%s\n" % (i, str(self.out[i]),
+ str(self.cov[i][i])))
+ file.write("<r> <Pr> <dPr>\n")
+ r = numpy.arange(0.0, self.d_max, self.d_max / npts)
+
+ for r_i in r:
+ (value, err) = self.pr_err(self.out, self.cov, r_i)
+ file.write("%g %g %g\n" % (r_i, value, err))
+
+ file.close()
+
+ def from_file(self, path):
+ """
+ Load the state of the Invertor from a file,
+ to be able to generate P(r) from a set of
+ parameters.
+
+ :param path: path of the file to load
+
+ """
+ #import os
+ #import re
+ if os.path.isfile(path):
+ try:
+ fd = open(path, 'r')
+
+ buff = fd.read()
+ lines = buff.split('\n')
+ for line in lines:
+ if line.startswith('#d_max='):
+ toks = line.split('=')
+ self.d_max = float(toks[1])
+ elif line.startswith('#nfunc='):
+ toks = line.split('=')
+ self.nfunc = int(toks[1])
+ self.out = numpy.zeros(self.nfunc)
+ self.cov = numpy.zeros([self.nfunc, self.nfunc])
+ elif line.startswith('#alpha='):
+ toks = line.split('=')
+ self.alpha = float(toks[1])
+ elif line.startswith('#chi2='):
+ toks = line.split('=')
+ self.chi2 = float(toks[1])
+ elif line.startswith('#elapsed='):
+ toks = line.split('=')
+ self.elapsed = float(toks[1])
+ elif line.startswith('#alpha_estimate='):
+ toks = line.split('=')
+ self.suggested_alpha = float(toks[1])
+ elif line.startswith('#qmin='):
+ toks = line.split('=')
+ try:
+ self.q_min = float(toks[1])
+ except:
+ self.q_min = None
+ elif line.startswith('#qmax='):
+ toks = line.split('=')
+ try:
+ self.q_max = float(toks[1])
+ except:
+ self.q_max = None
+ elif line.startswith('#slit_height='):
+ toks = line.split('=')
+ self.slit_height = float(toks[1])
+ elif line.startswith('#slit_width='):
+ toks = line.split('=')
+ self.slit_width = float(toks[1])
+ elif line.startswith('#background='):
+ toks = line.split('=')
+ self.background = float(toks[1])
+ elif line.startswith('#has_bck='):
+ toks = line.split('=')
+ if int(toks[1]) == 1:
+ self.has_bck = True
+ else:
+ self.has_bck = False
+
+ # Now read in the parameters
+ elif line.startswith('#C_'):
+ toks = line.split('=')
+ p = re.compile('#C_([0-9]+)')
+ m = p.search(toks[0])
+ toks2 = toks[1].split('+-')
+ i = int(m.group(1))
+ self.out[i] = float(toks2[0])
+
+ self.cov[i][i] = float(toks2[1])
+
+ except:
+ msg = "Invertor.from_file: corrupted file\n%s" % sys.exc_value
+ raise RuntimeError, msg
+ else:
+ msg = "Invertor.from_file: '%s' is not a file" % str(path)
+ raise RuntimeError, msg
diff --git a/src/sas/sascalc/pr/num_term.py b/src/sas/sascalc/pr/num_term.py
new file mode 100644
index 0000000..ea7baad
--- /dev/null
+++ b/src/sas/sascalc/pr/num_term.py
@@ -0,0 +1,197 @@
+import math
+import numpy
+import copy
+import sys
+import logging
+from sas.sascalc.pr.invertor import Invertor
+
+class NTermEstimator(object):
+ """
+ """
+ def __init__(self, invertor):
+ """
+ """
+ self.invertor = invertor
+ self.nterm_min = 10
+ self.nterm_max = len(self.invertor.x)
+ if self.nterm_max > 50:
+ self.nterm_max = 50
+ self.isquit_func = None
+
+ self.osc_list = []
+ self.err_list = []
+ self.alpha_list = []
+ self.mess_list = []
+ self.dataset = []
+
+ def is_odd(self, n):
+ """
+ """
+ return bool(n % 2)
+
+ def sort_osc(self):
+ """
+ """
+ #import copy
+ osc = copy.deepcopy(self.dataset)
+ lis = []
+ for i in range(len(osc)):
+ osc.sort()
+ re = osc.pop(0)
+ lis.append(re)
+ return lis
+
+ def median_osc(self):
+ """
+ """
+ osc = self.sort_osc()
+ dv = len(osc)
+ med = float(dv) / 2.0
+ odd = self.is_odd(dv)
+ medi = 0
+ for i in range(dv):
+ if odd == True:
+ medi = osc[int(med)]
+ else:
+ medi = osc[int(med) - 1]
+ return medi
+
+ def get0_out(self):
+ """
+ """
+ inver = self.invertor
+ self.osc_list = []
+ self.err_list = []
+ self.alpha_list = []
+ for k in range(self.nterm_min, self.nterm_max, 1):
+ if self.isquit_func != None:
+ self.isquit_func()
+ best_alpha, message, _ = inver.estimate_alpha(k)
+ inver.alpha = best_alpha
+ inver.out, inver.cov = inver.lstsq(k)
+ osc = inver.oscillations(inver.out)
+ err = inver.get_pos_err(inver.out, inver.cov)
+ if osc > 10.0:
+ break
+ self.osc_list.append(osc)
+ self.err_list.append(err)
+ self.alpha_list.append(inver.alpha)
+ self.mess_list.append(message)
+
+ new_osc1 = []
+ new_osc2 = []
+ new_osc3 = []
+ flag9 = False
+ flag8 = False
+ for i in range(len(self.err_list)):
+ if self.err_list[i] <= 1.0 and self.err_list[i] >= 0.9:
+ new_osc1.append(self.osc_list[i])
+ flag9 = True
+ if self.err_list[i] < 0.9 and self.err_list[i] >= 0.8:
+ new_osc2.append(self.osc_list[i])
+ flag8 = True
+ if self.err_list[i] < 0.8 and self.err_list[i] >= 0.7:
+ new_osc3.append(self.osc_list[i])
+
+ if flag9 == True:
+ self.dataset = new_osc1
+ elif flag8 == True:
+ self.dataset = new_osc2
+ else:
+ self.dataset = new_osc3
+
+ return self.dataset
+
+ def ls_osc(self):
+ """
+ """
+ # Generate data
+ self.get0_out()
+ med = self.median_osc()
+
+ #TODO: check 1
+ ls_osc = self.dataset
+ ls = []
+ for i in range(len(ls_osc)):
+ if int(med) == int(ls_osc[i]):
+ ls.append(ls_osc[i])
+ return ls
+
+ def compare_err(self):
+ """
+ """
+ ls = self.ls_osc()
+ nt_ls = []
+ for i in range(len(ls)):
+ r = ls[i]
+ n = self.osc_list.index(r) + 10
+ nt_ls.append(n)
+ return nt_ls
+
+ def num_terms(self, isquit_func=None):
+ """
+ """
+ try:
+ self.isquit_func = isquit_func
+ nts = self.compare_err()
+ div = len(nts)
+ tem = float(div) / 2.0
+ odd = self.is_odd(div)
+ if odd == True:
+ nt = nts[int(tem)]
+ else:
+ nt = nts[int(tem) - 1]
+ return nt, self.alpha_list[nt - 10], self.mess_list[nt - 10]
+ except:
+ #TODO: check the logic above and make sure it doesn't
+ # rely on the try-except.
+ return self.nterm_min, self.invertor.alpha, ''
+
+
+#For testing
+def load(path):
+ # Read the data from the data file
+ data_x = numpy.zeros(0)
+ data_y = numpy.zeros(0)
+ data_err = numpy.zeros(0)
+ scale = None
+ min_err = 0.0
+ if not path == None:
+ input_f = open(path, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ for line in lines:
+ try:
+ toks = line.split()
+ test_x = float(toks[0])
+ test_y = float(toks[1])
+ if len(toks) > 2:
+ err = float(toks[2])
+ else:
+ if scale == None:
+ scale = 0.05 * math.sqrt(test_y)
+ #scale = 0.05/math.sqrt(y)
+ min_err = 0.01 * y
+ err = scale * math.sqrt(test_y) + min_err
+ #err = 0
+
+ data_x = numpy.append(data_x, test_x)
+ data_y = numpy.append(data_y, test_y)
+ data_err = numpy.append(data_err, err)
+ except:
+ logging.error(sys.exc_value)
+
+ return data_x, data_y, data_err
+
+
+if __name__ == "__main__":
+ invert = Invertor()
+ x, y, erro = load("test/Cyl_A_D102.txt")
+ invert.d_max = 102.0
+ invert.nfunc = 10
+ invert.x = x
+ invert.y = y
+ invert.err = erro
+ # Testing estimator
+ est = NTermEstimator(invert)
+ print est.num_terms()
diff --git a/src/sas/sascalc/pr/release_notes.txt b/src/sas/sascalc/pr/release_notes.txt
new file mode 100644
index 0000000..523c22b
--- /dev/null
+++ b/src/sas/sascalc/pr/release_notes.txt
@@ -0,0 +1,64 @@
+Release Notes
+=============
+
+Package name: pr_inversion 0.2
+
+1- Version 0.2.2
+ - Release date: 7/4/2009
+ - Minor fixes
+
+ Version 0.2.1
+ - Release date: 7/8/2008
+ - Minor change to clone method
+
+ Version 0.2.0
+
+ - Release date: 7/4/2008
+ - Number of term estimator
+ - Faster implementation
+
+ Version 0.1.0
+
+ - Release date: 5/28/2008
+ - Provide python module sas.pr
+
+2- Downloading and Installing
+
+ 2.1- System Requirements:
+ - Python version >= 2.4 should be running on the system
+
+ 2.2- Installing:
+ - Get the code from svn://danse.us/sas/releases/pr_inversion-0.1.0
+ - The following modules are required:
+ * matplotlib
+ * numpy
+ * scipy
+
+3- Known Issues
+
+ 3.1- All systems:
+ - None
+
+ 3.2- Windows:
+ - None
+
+ 3.3- Linux:
+ - None
+
+4- Troubleshooting
+
+ - None
+
+5- Frequently Asked Questions
+
+ - None
+
+6- Other Resources
+
+ - See: http://danse.chem.utk.edu/prview.html
+
+
+
+
+
+
diff --git a/src/sas/sascalc/realspace/VolumeCanvas.py b/src/sas/sascalc/realspace/VolumeCanvas.py
new file mode 100644
index 0000000..88bf4c7
--- /dev/null
+++ b/src/sas/sascalc/realspace/VolumeCanvas.py
@@ -0,0 +1,803 @@
+#!/usr/bin/env python
+""" Volume Canvas
+
+ Simulation canvas for real-space simulation of SAS scattering intensity.
+ The user can create an arrangement of basic shapes and estimate I(q) and
+ I(q_x, q_y). Error estimates on the simulation are also available.
+
+ Example:
+
+ import sas.sascalc.realspace.VolumeCanvas as VolumeCanvas
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', 0.01)
+
+ sphere = SphereDescriptor()
+ handle = canvas.addObject(sphere)
+
+ output, error = canvas.getIqError(q=0.1)
+ output, error = canvas.getIq2DError(0.1, 0.1)
+
+ or alternatively:
+ iq = canvas.run(0.1)
+ i2_2D = canvas.run([0.1, 1.57])
+
+"""
+
+from sas.models.BaseComponent import BaseComponent
+from sas.sascalc.simulation.pointsmodelpy import pointsmodelpy
+from sas.sascalc.simulation.geoshapespy import geoshapespy
+
+
+import os.path, math
+
+class ShapeDescriptor:
+ """
+ Class to hold the information about a shape
+ The descriptor holds a dictionary of parameters.
+
+ Note: if shape parameters are accessed directly
+ from outside VolumeCanvas. The getPr method
+ should be called before evaluating I(q).
+
+ """
+ def __init__(self):
+ """
+ Initialization
+ """
+ ## Real space object
+ self.shapeObject = None
+ ## Parameters of the object
+ self.params = {}
+ self.params["center"] = [0, 0, 0]
+ # Orientation are angular offsets in degrees with respect to X, Y, Z
+ self.params["orientation"] = [0, 0, 0]
+ # Default to lores shape
+ self.params['is_lores'] = True
+ self.params['order'] = 0
+
+ def create(self):
+ """
+ Create an instance of the shape
+ """
+ # Set center
+ x0 = self.params["center"][0]
+ y0 = self.params["center"][1]
+ z0 = self.params["center"][2]
+ geoshapespy.set_center(self.shapeObject, x0, y0, z0)
+
+ # Set orientation
+ x0 = self.params["orientation"][0]
+ y0 = self.params["orientation"][1]
+ z0 = self.params["orientation"][2]
+ geoshapespy.set_orientation(self.shapeObject, x0, y0, z0)
+
+class SphereDescriptor(ShapeDescriptor):
+ """
+ Descriptor for a sphere
+
+ The parameters are:
+ - radius [Angstroem] [default = 20 A]
+ - Contrast [A-2] [default = 1 A-2]
+
+ """
+ def __init__(self):
+ """
+ Initialization
+ """
+ ShapeDescriptor.__init__(self)
+ # Default parameters
+ self.params["type"] = "sphere"
+ # Radius of the sphere
+ self.params["radius"] = 20.0
+ # Constrast parameter
+ self.params["contrast"] = 1.0
+
+ def create(self):
+ """
+ Create an instance of the shape
+ @return: instance of the shape
+ """
+ self.shapeObject = geoshapespy.new_sphere(\
+ self.params["radius"])
+
+ ShapeDescriptor.create(self)
+ return self.shapeObject
+
+class CylinderDescriptor(ShapeDescriptor):
+ """
+ Descriptor for a cylinder
+ Orientation: Default cylinder is along Y
+
+ Parameters:
+ - Length [default = 40 A]
+ - Radius [default = 10 A]
+ - Contrast [default = 1 A-2]
+ """
+ def __init__(self):
+ """
+ Initialization
+ """
+ ShapeDescriptor.__init__(self)
+ # Default parameters
+ self.params["type"] = "cylinder"
+ # Length of the cylinder
+ self.params["length"] = 40.0
+ # Radius of the cylinder
+ self.params["radius"] = 10.0
+ # Constrast parameter
+ self.params["contrast"] = 1.0
+
+ def create(self):
+ """
+ Create an instance of the shape
+ @return: instance of the shape
+ """
+ self.shapeObject = geoshapespy.new_cylinder(\
+ self.params["radius"], self.params["length"])
+
+ ShapeDescriptor.create(self)
+ return self.shapeObject
+
+
+class EllipsoidDescriptor(ShapeDescriptor):
+ """
+ Descriptor for an ellipsoid
+
+ Parameters:
+ - Radius_x along the x-axis [default = 30 A]
+ - Radius_y along the y-axis [default = 20 A]
+ - Radius_z along the z-axis [default = 10 A]
+ - contrast [default = 1 A-2]
+ """
+ def __init__(self):
+ """
+ Initialization
+ """
+ ShapeDescriptor.__init__(self)
+ # Default parameters
+ self.params["type"] = "ellipsoid"
+ self.params["radius_x"] = 30.0
+ self.params["radius_y"] = 20.0
+ self.params["radius_z"] = 10.0
+ self.params["contrast"] = 1.0
+
+ def create(self):
+ """
+ Create an instance of the shape
+ @return: instance of the shape
+ """
+ self.shapeObject = geoshapespy.new_ellipsoid(\
+ self.params["radius_x"], self.params["radius_y"],
+ self.params["radius_z"])
+
+ ShapeDescriptor.create(self)
+ return self.shapeObject
+
+class HelixDescriptor(ShapeDescriptor):
+ """
+ Descriptor for an helix
+
+ Parameters:
+ -radius_helix: the radius of the helix [default = 10 A]
+ -radius_tube: radius of the "tube" that forms the helix [default = 3 A]
+ -pitch: distance between two consecutive turns of the helix [default = 34 A]
+ -turns: number of turns of the helix [default = 3]
+ -contrast: contrast parameter [default = 1 A-2]
+ """
+ def __init__(self):
+ """
+ Initialization
+ """
+ ShapeDescriptor.__init__(self)
+ # Default parameters
+ self.params["type"] = "singlehelix"
+ self.params["radius_helix"] = 10.0
+ self.params["radius_tube"] = 3.0
+ self.params["pitch"] = 34.0
+ self.params["turns"] = 3.0
+ self.params["contrast"] = 1.0
+
+ def create(self):
+ """
+ Create an instance of the shape
+ @return: instance of the shape
+ """
+ self.shapeObject = geoshapespy.new_singlehelix(\
+ self.params["radius_helix"], self.params["radius_tube"],
+ self.params["pitch"], self.params["turns"])
+
+ ShapeDescriptor.create(self)
+ return self.shapeObject
+
+class PDBDescriptor(ShapeDescriptor):
+ """
+ Descriptor for a PDB set of points
+
+ Parameter:
+ - file = name of the PDB file
+ """
+ def __init__(self, filename):
+ """
+ Initialization
+ @param filename: name of the PDB file to load
+ """
+ ShapeDescriptor.__init__(self)
+ # Default parameters
+ self.params["type"] = "pdb"
+ self.params["file"] = filename
+ self.params['is_lores'] = False
+
+ def create(self):
+ """
+ Create an instance of the shape
+ @return: instance of the shape
+ """
+ self.shapeObject = pointsmodelpy.new_pdbmodel()
+ pointsmodelpy.pdbmodel_add(self.shapeObject, self.params['file'])
+
+ #ShapeDescriptor.create(self)
+ return self.shapeObject
+
+# Define a dictionary for the shape until we find
+# a better way to create them
+shape_dict = {'sphere':SphereDescriptor,
+ 'cylinder':CylinderDescriptor,
+ 'ellipsoid':EllipsoidDescriptor,
+ 'singlehelix':HelixDescriptor}
+
+class VolumeCanvas(BaseComponent):
+ """
+ Class representing an empty space volume to add
+ geometrical object to.
+
+ For 1D I(q) simulation, getPr() is called internally for the
+ first call to getIq().
+
+ """
+
+ def __init__(self):
+ """
+ Initialization
+ """
+ BaseComponent.__init__(self)
+
+ ## Maximum value of q reachable
+ self.params['q_max'] = 0.1
+ self.params['lores_density'] = 0.1
+ self.params['scale'] = 1.0
+ self.params['background'] = 0.0
+
+ self.lores_model = pointsmodelpy.new_loresmodel(self.params['lores_density'])
+ self.complex_model = pointsmodelpy.new_complexmodel()
+ self.shapes = {}
+ self.shapecount = 0
+ self.points = None
+ self.npts = 0
+ self.hasPr = False
+
+ def _model_changed(self):
+ """
+ Reset internal data members to reflect the fact that the
+ real-space model has changed
+ """
+ self.hasPr = False
+ self.points = None
+
+ def addObject(self, shapeDesc, id = None):
+ """
+ Adds a real-space object to the canvas.
+
+ @param shapeDesc: object to add to the canvas [ShapeDescriptor]
+ @param id: string handle for the object [string] [optional]
+ @return: string handle for the object
+ """
+ # If the handle is not provided, create one
+ if id == None:
+ id = shapeDesc.params["type"]+str(self.shapecount)
+
+ # Self the order number
+ shapeDesc.params['order'] = self.shapecount
+ # Store the shape in a dictionary entry associated
+ # with the handle
+ self.shapes[id] = shapeDesc
+ self.shapecount += 1
+
+ #model changed, need to recalculate P(r)
+ self._model_changed()
+
+ return id
+
+
+ def add(self, shape, id = None):
+ """
+ The intend of this method is to eventually be able to use it
+ as a factory for the canvas and unify the simulation with the
+ analytical solutions. For instance, if one adds a cylinder and
+ it is the only shape on the canvas, the analytical solution
+ could be called. If multiple shapes are involved, then
+ simulation has to be performed.
+
+ This function is deprecated, use addObject().
+
+ @param shape: name of the object to add to the canvas [string]
+ @param id: string handle for the object [string] [optional]
+ @return: string handle for the object
+ """
+ # If the handle is not provided, create one
+ if id == None:
+ id = "shape"+str(self.shapecount)
+
+ #shapeDesc = ShapeDescriptor(shape.lower())
+ if shape.lower() in shape_dict:
+ shapeDesc = shape_dict[shape.lower()]()
+ elif os.path.isfile(shape):
+ # A valid filename was supplier, create a PDB object
+ shapeDesc = PDBDescriptor(shape)
+ else:
+ raise ValueError, "VolumeCanvas.add: Unknown shape %s" % shape
+
+ return self.addObject(shapeDesc, id)
+
+ def delete(self, id):
+ """
+ Delete a shape. The ID for the shape is required.
+ @param id: string handle for the object [string] [optional]
+ """
+
+ if self.shapes.has_key(id):
+ del self.shapes[id]
+ else:
+ raise KeyError, "VolumeCanvas.delete: could not find shape ID"
+
+ #model changed, need to recalculate P(r)
+ self._model_changed()
+
+
+ def setParam(self, name, value):
+ """
+ Function to set the value of a parameter.
+ Both VolumeCanvas parameters and shape parameters
+ are accessible.
+
+ Note: if shape parameters are accessed directly
+ from outside VolumeCanvas. The getPr method
+ should be called before evaluating I(q).
+
+ TODO: implemented a check method to protect
+ against that.
+
+ @param name: name of the parameter to change
+ @param value: value to give the parameter
+ """
+
+ # Lowercase for case insensitivity
+ name = name.lower()
+
+ # Look for shape access
+ toks = name.split('.')
+
+ # If a shape identifier was given, look the shape up
+ # in the dictionary
+ if len(toks)>1:
+ if toks[0] in self.shapes.keys():
+ # The shape was found, now look for the parameter
+ if toks[1] in self.shapes[toks[0]].params:
+ # The parameter was found, now change it
+ self.shapes[toks[0]].params[toks[1]] = value
+ self._model_changed()
+ else:
+ raise ValueError, "Could not find parameter %s" % name
+ else:
+ raise ValueError, "Could not find shape %s" % toks[0]
+
+ else:
+ # If we are not accessing the parameters of a
+ # shape, see if the parameter is part of this object
+ BaseComponent.setParam(self, name, value)
+ self._model_changed()
+
+ def getParam(self, name):
+ """
+ @param name: name of the parameter to change
+ """
+ #TODO: clean this up
+
+ # Lowercase for case insensitivity
+ name = name.lower()
+
+ # Look for sub-model access
+ toks = name.split('.')
+ if len(toks) == 1:
+ try:
+ self.params.has_key(toks[0])
+ except KeyError:
+ raise ValueError, \
+ "VolumeCanvas.getParam: Could not find %s" % name
+
+ value = self.params[toks[0]]
+ if isinstance(value, ShapeDescriptor):
+ raise ValueError, \
+ "VolumeCanvas.getParam: Cannot get parameter value."
+ else:
+ return value
+
+ elif len(toks) == 2:
+ try:
+ self.shapes.has_key(toks[0])
+ except KeyError:
+ raise ValueError, \
+ "VolumeCanvas.getParam: Could not find %s" % name
+
+ shapeinstance = self.shapes[toks[0]]
+
+ try:
+ shapeinstance.params.has_key(toks[1])
+ except KeyError:
+ raise ValueError, \
+ "VolumeCanvas.getParam: Could not find %s" % name
+
+ return shapeinstance.params[toks[1]]
+
+ else:
+ raise ValueError, \
+ "VolumeCanvas.getParam: Could not find %s" % name
+
+ def getParamList(self, shapeid = None):
+ """
+ return a full list of all available parameters from
+ self.params.keys(). If a key in self.params is a instance
+ of ShapeDescriptor, extend the return list to:
+ [param1,param2,shapeid.param1,shapeid.param2.......]
+
+ If shapeid is provided, return the list of parameters that
+ belongs to that shape id only : [shapeid.param1, shapeid.param2...]
+ """
+
+ param_list = []
+ if shapeid == None:
+ for key1 in self.params.keys():
+ #value1 = self.params[key1]
+ param_list.append(key1)
+ for key2 in self.shapes.keys():
+ value2 = self.shapes[key2]
+ header = key2 + '.'
+ for key3 in value2.params.keys():
+ fullname = header + key3
+ param_list.append(fullname)
+
+ else:
+ try:
+ self.shapes.has_key(shapeid)
+ except KeyError:
+ raise ValueError, \
+ "VolumeCanvas: getParamList: Could not find %s" % shapeid
+ header = shapeid + '.'
+ param_list = self.shapes[shapeid].params.keys()
+ for i in range(len(param_list)):
+ param_list[i] = header + param_list[i]
+
+ return param_list
+
+ def getShapeList(self):
+ """
+ Return a list of the shapes
+ """
+ return self.shapes.keys()
+
+ def _addSingleShape(self, shapeDesc):
+ """
+ create shapeobject based on shapeDesc
+ @param shapeDesc: shape description
+ """
+ #Create the object model
+ shapeDesc.create()
+
+ if shapeDesc.params['is_lores']:
+ # Add the shape to the lores_model
+ pointsmodelpy.lores_add(self.lores_model,
+ shapeDesc.shapeObject, shapeDesc.params['contrast'])
+
+ def _createVolumeFromList(self):
+ """
+ Create a new lores model with all the shapes in our internal list
+ Whenever we change a parameter of a shape, we have to re-create
+ the whole thing.
+
+ Items with higher 'order' number take precedence for regions
+ of space that are shared with other objects. Points in the
+ overlapping region belonging to objects with lower 'order'
+ will be ignored.
+
+ Items are added in decreasing 'order' number.
+ The item with the highest 'order' will be added *first*.
+ [That conventions is prescribed by the realSpaceModeling module]
+ """
+
+ # Create empty model
+ self.lores_model = \
+ pointsmodelpy.new_loresmodel(self.params['lores_density'])
+
+ # Create empty complex model
+ self.complex_model = pointsmodelpy.new_complexmodel()
+
+ # Order the object first
+ obj_list = []
+
+ for shape in self.shapes:
+ order = self.shapes[shape].params['order']
+ # find where to place it in the list
+ stored = False
+
+ for i in range(len(obj_list)):
+ if obj_list[i][0] > order:
+ obj_list.insert(i, [order, shape])
+ stored = True
+ break
+
+ if not stored:
+ obj_list.append([order, shape])
+
+ # Add each shape
+ len_list = len(obj_list)
+ for i in range(len_list-1, -1, -1):
+ shapedesc = self.shapes[obj_list[i][1]]
+ self._addSingleShape(shapedesc)
+
+ return 0
+
+ def getPr(self):
+ """
+ Calculate P(r) from the objects on the canvas.
+ This method should always be called after the shapes
+ on the VolumeCanvas have changed.
+
+ @return: calculation output flag
+ """
+ # To find a complete example of the correct call order:
+ # In LORES2, in actionclass.py, method CalculateAction._get_iq()
+
+ # If there are not shapes, do nothing
+ if len(self.shapes) == 0:
+ self._model_changed()
+ return 0
+
+ # generate space filling points from shape list
+ self._createVolumeFromList()
+
+ self.points = pointsmodelpy.new_point3dvec()
+
+ pointsmodelpy.complexmodel_add(self.complex_model,
+ self.lores_model, "LORES")
+ for shape in self.shapes:
+ if self.shapes[shape].params['is_lores'] == False:
+ pointsmodelpy.complexmodel_add(self.complex_model,
+ self.shapes[shape].shapeObject, "PDB")
+
+ #pointsmodelpy.get_lorespoints(self.lores_model, self.points)
+ self.npts = pointsmodelpy.get_complexpoints(self.complex_model, self.points)
+
+ # expecting the rmax is a positive float or 0. The maximum distance.
+ #rmax = pointsmodelpy.get_lores_pr(self.lores_model, self.points)
+
+ rmax = pointsmodelpy.get_complex_pr(self.complex_model, self.points)
+ self.hasPr = True
+
+ return rmax
+
+ def run(self, q = 0):
+ """
+ Returns the value of I(q) for a given q-value
+ @param q: q-value ([float] or [list]) ([A-1] or [[A-1], [rad]])
+ @return: I(q) [float] [cm-1]
+ """
+ # Check for 1D q length
+ if q.__class__.__name__ == 'int' \
+ or q.__class__.__name__ == 'float':
+ return self.getIq(q)
+ # Check for 2D q-value
+ elif q.__class__.__name__ == 'list':
+ # Compute (Qx, Qy) from (Q, phi)
+ # Phi is in radian and Q-values are in A-1
+ qx = q[0]*math.cos(q[1])
+ qy = q[0]*math.sin(q[1])
+ return self.getIq2D(qx, qy)
+ # Through an exception if it's not a
+ # type we recognize
+ else:
+ raise ValueError, "run(q): bad type for q"
+
+ def runXY(self, q = 0):
+ """
+ Standard run command for the canvas.
+ Redirects to the correct method
+ according to the input type.
+ @param q: q-value [float] or [list] [A-1]
+ @return: I(q) [float] [cm-1]
+ """
+ # Check for 1D q length
+ if q.__class__.__name__ == 'int' \
+ or q.__class__.__name__ == 'float':
+ return self.getIq(q)
+ # Check for 2D q-value
+ elif q.__class__.__name__ == 'list':
+ return self.getIq2D(q[0], q[1])
+ # Through an exception if it's not a
+ # type we recognize
+ else:
+ raise ValueError, "runXY(q): bad type for q"
+
+ def _create_modelObject(self):
+ """
+ Create the simulation model obejct from the list
+ of shapes.
+
+ This method needs to be called each time a parameter
+ changes because of the way the underlying library
+ was (badly) written. It is impossible to change a
+ parameter, or remove a shape without having to
+ refill the space points.
+
+ TODO: improve that.
+ """
+ # To find a complete example of the correct call order:
+ # In LORES2, in actionclass.py, method CalculateAction._get_iq()
+
+ # If there are not shapes, do nothing
+ if len(self.shapes) == 0:
+ self._model_changed()
+ return 0
+
+ # generate space filling points from shape list
+ self._createVolumeFromList()
+
+ self.points = pointsmodelpy.new_point3dvec()
+
+ pointsmodelpy.complexmodel_add(self.complex_model,
+ self.lores_model, "LORES")
+ for shape in self.shapes:
+ if self.shapes[shape].params['is_lores'] == False:
+ pointsmodelpy.complexmodel_add(self.complex_model,
+ self.shapes[shape].shapeObject, "PDB")
+
+ #pointsmodelpy.get_lorespoints(self.lores_model, self.points)
+ self.npts = pointsmodelpy.get_complexpoints(self.complex_model, self.points)
+
+
+ def getIq2D(self, qx, qy):
+ """
+ Returns simulate I(q) for given q_x and q_y values.
+ @param qx: q_x [A-1]
+ @param qy: q_y [A-1]
+ @return: I(q) [cm-1]
+ """
+
+ # If this is the first simulation call, we need to generate the
+ # space points
+ if self.points == None:
+ self._create_modelObject()
+
+ # Protect against empty model
+ if self.points == None:
+ return 0
+
+ # Evalute I(q)
+ norm = 1.0e8/self.params['lores_density']*self.params['scale']
+ return norm*pointsmodelpy.get_complex_iq_2D(self.complex_model, self.points, qx, qy)\
+ + self.params['background']
+
+ def write_pr(self, filename):
+ """
+ Write P(r) to an output file
+ @param filename: file name for P(r) output
+ """
+ if self.hasPr == False:
+ self.getPr()
+
+ pointsmodelpy.outputPR(self.complex_model, filename)
+
+ def getPrData(self):
+ """
+ Write P(r) to an output file
+ @param filename: file name for P(r) output
+ """
+ if self.hasPr == False:
+ self.getPr()
+
+ return pointsmodelpy.get_pr(self.complex_model)
+
+ def getIq(self, q):
+ """
+ Returns the value of I(q) for a given q-value
+
+ This method should remain internal to the class
+ and the run() method should be used instead.
+
+ @param q: q-value [float]
+ @return: I(q) [float]
+ """
+
+ if self.hasPr == False:
+ self.getPr()
+
+ # By dividing by the density instead of the actuall V/N,
+ # we have an uncertainty of +-1 on N because the number
+ # of points chosen for the simulation is int(density*volume).
+ # Propagation of error gives:
+ # delta(1/density^2) = 2*(1/density^2)/N
+ # where N is stored in self.npts
+
+ norm = 1.0e8/self.params['lores_density']*self.params['scale']
+ #return norm*pointsmodelpy.get_lores_i(self.lores_model, q)
+ return norm*pointsmodelpy.get_complex_i(self.complex_model, q)\
+ + self.params['background']
+
+ def getError(self, q):
+ """
+ Returns the error of I(q) for a given q-value
+ @param q: q-value [float]
+ @return: I(q) [float]
+ """
+
+ if self.hasPr == False:
+ self.getPr()
+
+ # By dividing by the density instead of the actual V/N,
+ # we have an uncertainty of +-1 on N because the number
+ # of points chosen for the simulation is int(density*volume).
+ # Propagation of error gives:
+ # delta(1/density^2) = 2*(1/density^2)/N
+ # where N is stored in self.npts
+
+ norm = 1.0e8/self.params['lores_density']*self.params['scale']
+ #return norm*pointsmodelpy.get_lores_i(self.lores_model, q)
+ return norm*pointsmodelpy.get_complex_i_error(self.complex_model, q)\
+ + self.params['background']
+
+ def getIqError(self, q):
+ """
+ Return the simulated value along with its estimated
+ error for a given q-value
+
+ Propagation of errors is used to evaluate the
+ uncertainty.
+
+ @param q: q-value [float]
+ @return: mean, error [float, float]
+ """
+ val = self.getIq(q)
+ # Simulation error (statistical)
+ err = self.getError(q)
+ # Error on V/N
+ simerr = 2*val/self.npts
+ return val, err+simerr
+
+ def getIq2DError(self, qx, qy):
+ """
+ Return the simulated value along with its estimated
+ error for a given q-value
+
+ Propagation of errors is used to evaluate the
+ uncertainty.
+
+ @param qx: qx-value [float]
+ @param qy: qy-value [float]
+ @return: mean, error [float, float]
+ """
+ self._create_modelObject()
+
+ norm = 1.0e8/self.params['lores_density']*self.params['scale']
+ val = norm*pointsmodelpy.get_complex_iq_2D(self.complex_model, self.points, qx, qy)\
+ + self.params['background']
+
+ # Simulation error (statistical)
+ norm = 1.0e8/self.params['lores_density']*self.params['scale'] \
+ * math.pow(self.npts/self.params['lores_density'], 1.0/3.0)/self.npts
+ err = norm*pointsmodelpy.get_complex_iq_2D_err(self.complex_model, self.points, qx, qy)
+ # Error on V/N
+ simerr = 2*val/self.npts
+
+ # The error used for the position is over-simplified.
+ # The actual error was empirically found to be about
+ # an order of magnitude larger.
+ return val, 10.0*err+simerr
+
diff --git a/src/sas/sascalc/realspace/__init__.py b/src/sas/sascalc/realspace/__init__.py
new file mode 100644
index 0000000..bc73410
--- /dev/null
+++ b/src/sas/sascalc/realspace/__init__.py
@@ -0,0 +1,80 @@
+"""
+ Real-Space Modeling for SAS
+"""
+## \mainpage Real-Space Modeling for SAS
+#
+# \section intro_sec Introduction
+# This module provides SAS scattering intensity simulation
+# based on real-space modeling.
+#
+# Documentation can be found here:
+# http://danse.us/trac/sas/wiki/RealSpaceModeling
+#
+# \section install_sec Installation
+#
+# \subsection obtain Obtaining the Code
+#
+# The code is available here:
+# \verbatim
+#$ svn co svn://danse.us/sas/realSpaceModeling
+#$ svn co svn://danse.us/sas/RealSpaceTopLayer
+# \endverbatim
+#
+# \subsection depends External Dependencies
+# None
+#
+# \subsection build Building the code
+# The standard python package can be built with distutils.
+# From the realSpaceModeling directory:
+# \verbatim
+#$ python setup.py install
+# \endverbatim
+#
+# From the RealSpaceTopLayer/src directory:
+# \verbatim
+#$ python setup.py install
+# \endverbatim
+#
+# \section overview_sec Package Overview
+#
+# \subsection class Class Diagram:
+# \image html real-space-class-diagram.png
+#
+# \subsection behav Behavior Enumeration:
+# \image html enum.gif
+#
+# \subsection Tutorial
+# To create an empty canvas:
+# \verbatim
+#import sas.realspace.VolumeCanvas as VolumeCanvas
+# canvas = VolumeCanvas.VolumeCanvas()
+# \endverbatim
+#
+# To set the simulation point density:
+# \verbatim
+# canvas.setParam('lores_density', 0.01)
+# \endverbatim
+#
+# To add an object:
+# \verbatim
+# sphare = VolumeCanvas.SphereDescriptor()
+# handle = canvas.addObject(sphere)
+# canvas.setParam('%s.radius' % handle, 15.0)
+# \endverbatim
+#
+# To evaluate the scattering intensity at a given q:
+# \verbatim
+# output, error = canvas.getIqError(q=0.1)
+# output, error = canvas.getIq2DError(qx=0.1, qy=0.1)
+# \endverbatim
+#
+# To get the value of a parameter:
+# \verbatim
+# canvas.getParam('scale')
+# \endverbatim
+#
+# Examples are available as unit tests under sas.realspace.test.
+#
+# \section help_sec Contact Info
+# Code and Documentation by Jing Zhou as part of the DANSE project.
+
diff --git a/src/sas/sascalc/simulation/__init__.py b/src/sas/sascalc/simulation/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sascalc/simulation/analmodelpy/Make.mm b/src/sas/sascalc/simulation/analmodelpy/Make.mm
new file mode 100644
index 0000000..c6afae4
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/Make.mm
@@ -0,0 +1,47 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = analmodelpy
+
+# directory structure
+
+BUILD_DIRS = \
+ libanalmodelpy \
+ analmodelpymodule \
+ analmodelpy \
+
+OTHER_DIRS = \
+ tests \
+ examples
+
+RECURSE_DIRS = $(BUILD_DIRS) $(OTHER_DIRS)
+
+#--------------------------------------------------------------------------
+#
+
+all:
+ BLD_ACTION="all" $(MM) recurse
+
+distclean::
+ BLD_ACTION="distclean" $(MM) recurse
+
+clean::
+ BLD_ACTION="clean" $(MM) recurse
+
+tidy::
+ BLD_ACTION="tidy" $(MM) recurse
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpy/Make.mm b/src/sas/sascalc/simulation/analmodelpy/analmodelpy/Make.mm
new file mode 100644
index 0000000..6b5732d
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpy/Make.mm
@@ -0,0 +1,35 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = analmodelpy
+PACKAGE = analmodelpy
+
+#--------------------------------------------------------------------------
+#
+
+all: export
+
+
+#--------------------------------------------------------------------------
+#
+# export
+
+EXPORT_PYTHON_MODULES = \
+ __init__.py
+
+
+export:: export-python-modules
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpy/__init__.py b/src/sas/sascalc/simulation/analmodelpy/analmodelpy/__init__.py
new file mode 100644
index 0000000..5c8ebf5
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpy/__init__.py
@@ -0,0 +1,21 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+def copyright():
+ return "analmodelpy pyre module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/Make.mm b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/Make.mm
new file mode 100644
index 0000000..b5c8f35
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = SASsimulation
+PACKAGE = analmodelpymodule
+MODULE = analmodelpy
+
+include std-pythonmodule.def
+include local.def
+
+PROJ_CXX_SRCLIB = -lanalmodelpy
+
+PROJ_SRCS = \
+ bindings.cc \
+ exceptions.cc \
+ misc.cc
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/analmodelpymodule.cc b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/analmodelpymodule.cc
new file mode 100644
index 0000000..a55a1b8
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/analmodelpymodule.cc
@@ -0,0 +1,52 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+
+#include <Python.h>
+
+#include "exceptions.h"
+#include "bindings.h"
+
+
+char pyanalmodelpy_module__doc__[] = "";
+
+// Initialization function for the module (*must* be called initanalmodelpy)
+extern "C"
+void
+initanalmodelpy()
+{
+ // create the module and add the functions
+ PyObject * m = Py_InitModule4(
+ "analmodelpy", pyanalmodelpy_methods,
+ pyanalmodelpy_module__doc__, 0, PYTHON_API_VERSION);
+
+ // get its dictionary
+ PyObject * d = PyModule_GetDict(m);
+
+ // check for errors
+ if (PyErr_Occurred()) {
+ Py_FatalError("can't initialize module analmodelpy");
+ }
+
+ // install the module exceptions
+ pyanalmodelpy_runtimeError = PyErr_NewException("analmodelpy.runtime", 0, 0);
+ PyDict_SetItemString(d, "RuntimeException", pyanalmodelpy_runtimeError);
+
+ return;
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/bindings.cc b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/bindings.cc
new file mode 100644
index 0000000..7c5fe7c
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/bindings.cc
@@ -0,0 +1,44 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "bindings.h"
+
+#include "misc.h" // miscellaneous methods
+
+// the method table
+
+struct PyMethodDef pyanalmodelpy_methods[] = {
+
+ // new analmodel
+ {pyanalmodelpy_new_analmodel__name__, pyanalmodelpy_new_analmodel,
+ METH_VARARGS, pyanalmodelpy_new_analmodel__doc__},
+
+ //analmodel method: CalculateIQ
+ {pyanalmodelpy_CalculateIQ__name__, pyanalmodelpy_CalculateIQ,
+ METH_VARARGS, pyanalmodelpy_CalculateIQ__doc__},
+
+ {pyanalmodelpy_copyright__name__, pyanalmodelpy_copyright,
+ METH_VARARGS, pyanalmodelpy_copyright__doc__},
+
+
+// Sentinel
+ {0, 0}
+};
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/bindings.h b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/bindings.h
new file mode 100644
index 0000000..6ca3ec0
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/bindings.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pyanalmodelpy_bindings_h)
+#define pyanalmodelpy_bindings_h
+
+// the method table
+
+extern struct PyMethodDef pyanalmodelpy_methods[];
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/exceptions.cc b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/exceptions.cc
new file mode 100644
index 0000000..38e9df6
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/exceptions.cc
@@ -0,0 +1,22 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+PyObject *pyanalmodelpy_runtimeError = 0;
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/exceptions.h b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/exceptions.h
new file mode 100644
index 0000000..119bff5
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/exceptions.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pyanalmodelpy_exceptions_h)
+#define pyanalmodelpy_exceptions_h
+
+// exceptions
+
+extern PyObject *pyanalmodelpy_runtimeError;
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/local.def b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/local.def
new file mode 100644
index 0000000..6a12ef9
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/local.def
@@ -0,0 +1,25 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+# C++
+
+ PROJ_CXX_INCLUDES = ../libanalmodelpy \
+ ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../../geoshapespy/libgeoshapespy \
+ ../../pointsmodelpy/libpointsmodelpy
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/misc.cc b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/misc.cc
new file mode 100644
index 0000000..f825ce1
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/misc.cc
@@ -0,0 +1,91 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "misc.h"
+#include "analytical_model.h"
+#include "geo_shape.h"
+#include "iq.h"
+
+// copyright
+
+char pyanalmodelpy_copyright__doc__[] = "";
+char pyanalmodelpy_copyright__name__[] = "copyright";
+
+static char pyanalmodelpy_copyright_note[] =
+ "analmodelpy python module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+PyObject * pyanalmodelpy_copyright(PyObject *, PyObject *)
+{
+ return Py_BuildValue("s", pyanalmodelpy_copyright_note);
+}
+
+//extern char pyanalmodelpy_GetRadius__name__[] = "";
+//extern char pyanalmodelpy_GetRadius__doc__[] = "GetRadius";
+//PyObject * pyanalmodelpy_GetRadius(PyObject *, PyObject *args){
+// double r = Sphere::GetRadius();
+//
+// return PyBuildValue("d", r);
+//}
+
+
+
+// analytical_model class constructor AnalyticalModel(Sphere &)
+
+char pyanalmodelpy_new_analmodel__doc__[] = "";
+char pyanalmodelpy_new_analmodel__name__[] = "new_analmodel";
+
+PyObject * pyanalmodelpy_new_analmodel(PyObject *, PyObject *args)
+{
+ PyObject *pyshape = 0;
+ int ok = PyArg_ParseTuple(args, "O", &pyshape);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyshape);
+
+ GeoShape *shape = static_cast<GeoShape *>(temp);
+
+ AnalyticalModel *newanal = new AnalyticalModel(*shape);
+
+ return PyCObject_FromVoidPtr(newanal, NULL);
+}
+
+//AnalyticalModel method: CalculateIQ(IQ *)
+char pyanalmodelpy_CalculateIQ__doc__[] = "";
+char pyanalmodelpy_CalculateIQ__name__[] = "CalculateIQ";
+
+PyObject * pyanalmodelpy_CalculateIQ(PyObject *, PyObject *args)
+{
+ PyObject *pyanal = 0, *pyiq = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pyanal, &pyiq);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyanal);
+ void *temp2 = PyCObject_AsVoidPtr(pyiq);
+
+ AnalyticalModel * thisanal = static_cast<AnalyticalModel *>(temp);
+ IQ * thisiq = static_cast<IQ *>(temp2);
+
+ thisanal->CalculateIQ(thisiq);
+
+ return Py_BuildValue("i",0);
+
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/misc.h b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/misc.h
new file mode 100644
index 0000000..f8ab124
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/analmodelpymodule/misc.h
@@ -0,0 +1,47 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pyanalmodelpy_misc_h)
+#define pyanalmodelpy_misc_h
+
+// copyright
+extern char pyanalmodelpy_copyright__name__[];
+extern char pyanalmodelpy_copyright__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_copyright(PyObject *, PyObject *);
+
+extern char pyanalmodelpy_GetRadius__name__[];
+extern char pyanalmodelpy_GetRadius__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_GetRadius(PyObject *, PyObject *);
+
+
+// Analytical Model constructor
+extern char pyanalmodelpy_new_analmodel__name__[];
+extern char pyanalmodelpy_new_analmodel__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_new_analmodel(PyObject *, PyObject *);
+
+// AnalyticalModel method: CalculateIQ(IQ *)
+extern char pyanalmodelpy_CalculateIQ__name__[];
+extern char pyanalmodelpy_CalculateIQ__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_CalculateIQ(PyObject *, PyObject *);
+
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/examples/Make.mm b/src/sas/sascalc/simulation/analmodelpy/examples/Make.mm
new file mode 100644
index 0000000..11abd56
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/examples/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = analmodelpy
+PACKAGE = examples
+
+#--------------------------------------------------------------------------
+#
+
+all: clean
+
+release: clean
+ cvs release .
+
+update: clean
+ cvs update .
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/Make.mm b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/Make.mm
new file mode 100644
index 0000000..bac0741
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/Make.mm
@@ -0,0 +1,66 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+include local.def
+
+PROJECT = analmodelpy
+PACKAGE = libanalmodelpy
+
+PROJ_SAR = $(BLD_LIBDIR)/$(PACKAGE).$(EXT_SAR)
+PROJ_DLL = $(BLD_BINDIR)/$(PACKAGE).$(EXT_SO)
+PROJ_TMPDIR = $(BLD_TMPDIR)/$(PROJECT)/$(PACKAGE)
+PROJ_CLEAN += $(PROJ_SAR) $(PROJ_DLL)
+PROJ_LIBRARIES = -lgeoshpespy -liqPy
+#PROJ_LIBRARIES = -L/home/jingz1/dv/tools/pythia-0.8/lib -lgeoshpespy -liqPy
+
+PROJ_SRCS = \
+ analytical_model.cc
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+# build the library
+
+all: $(PROJ_SAR) export
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+ifeq (Win32, ${findstring Win32, $(PLATFORM_ID)})
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_DLL) \
+ -Wl,--out-implib=$(PROJ_SAR) $(PROJ_OBJS)
+
+# export
+export:: export-headers export-libraries export-binaries
+
+else
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_SAR) $(PROJ_OBJS) $(PROJ_LIBRARIES)
+
+# export
+export:: export-headers export-libraries
+
+endif
+
+EXPORT_HEADERS = \
+ analytical_model.h \
+ sas_model.h
+
+EXPORT_LIBS = $(PROJ_SAR)
+EXPORT_BINS = $(PROJ_DLL)
+
+# version
+# $Id$
+
+#
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/analytical_model.cc b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/analytical_model.cc
new file mode 100644
index 0000000..08a7169
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/analytical_model.cc
@@ -0,0 +1,29 @@
+/** \file analytical_model.cc */
+
+#include "sphere.h"
+#include "hollow_sphere.h"
+#include "analytical_model.h"
+
+AnalyticalModel::AnalyticalModel(const GeoShape &geo_shape)
+{
+ switch (geo_shape.GetShapeType()){
+ case SPHERE:
+ shape_ = new Sphere(static_cast<const Sphere&>(geo_shape));
+ break;
+ case HOLLOWSPHERE:
+ shape_ = new HollowSphere(static_cast<const HollowSphere&>(geo_shape));
+ break;
+ case CYLINDER:
+ break;
+ }
+}
+
+AnalyticalModel::~AnalyticalModel()
+{
+ if (shape_ != NULL) delete shape_;
+}
+
+void AnalyticalModel::CalculateIQ(IQ * iq)
+{
+ shape_->GetFormFactor(iq);
+}
diff --git a/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/analytical_model.h b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/analytical_model.h
new file mode 100644
index 0000000..2369f64
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/analytical_model.h
@@ -0,0 +1,23 @@
+/** \file analytical_model.h class AnalyticalModel:SASModel */
+
+#ifndef ANALYTICALMODEL_H
+#define ANALYTICALMODEL_H
+
+#include "sas_model.h"
+#include "geo_shape.h"
+#include "iq.h"
+
+class AnalyticalModel : public SASModel{
+
+ public:
+ AnalyticalModel(const GeoShape &);
+ ~AnalyticalModel();
+
+ void CalculateIQ(IQ *);
+
+ private:
+ AnalyticalModel();
+ GeoShape *shape_;
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/local.def b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/local.def
new file mode 100644
index 0000000..29f02d3
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/local.def
@@ -0,0 +1,31 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+#
+# Local (project) definitions
+#
+
+# C++
+
+PROJ_CXX_INCLUDES += ../../iqPy/libiqPy/tnt \
+ ../../iqPy/libiqPy \
+ ../../geoshapespy/libgeoshapespy \
+ ../../pointsmodelpy/libpointsmodelpy
+
+ PROJ_CXX_FLAGS += $(CXX_SOFLAGS)
+ PROJ_LCXX_FLAGS += $(LCXX_SARFLAGS)
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/sas_model.h b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/sas_model.h
new file mode 100644
index 0000000..923c49b
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/libanalmodelpy/sas_model.h
@@ -0,0 +1,15 @@
+/** \file sas_model.h class SASModel virtual base class */
+
+#ifndef SASMODEL_H
+#define SASMODEL_H
+
+#include "iq.h"
+
+class SASModel{
+ public:
+
+ virtual void CalculateIQ(IQ *iq) = 0;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/analmodelpy/tests/Make.mm b/src/sas/sascalc/simulation/analmodelpy/tests/Make.mm
new file mode 100644
index 0000000..58e9a00
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/tests/Make.mm
@@ -0,0 +1,52 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJ_CXX_INCLUDES += ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../libanalmodelpy \
+ ../../geoshapespy/libgeoshapespy
+
+PROJECT = SASsimulation
+PACKAGE = tests
+
+PROJ_CLEAN += $(PROJ_CPPTESTS)
+
+PROJ_PYTESTS = testanal_model.py
+PROJ_CPPTESTS = testanalytical_model
+PROJ_TESTS = $(PROJ_PYTESTS) $(PROJ_CPPTESTS)
+PROJ_LIBRARIES = -L$(BLD_LIBDIR) -lanalmodelpy -liqPy -lgeoshapespy
+
+
+#--------------------------------------------------------------------------
+#
+
+all: $(PROJ_TESTS)
+
+test:
+ for test in $(PROJ_TESTS) ; do $${test}; done
+
+release: tidy
+ cvs release .
+
+update: clean
+ cvs update .
+
+#--------------------------------------------------------------------------
+#
+
+testanalytical_model: testanalytical_model.cc $(BLD_LIBDIR)/libanalmodelpy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -o $@ testanalytical_model.cc $(PROJ_LIBRARIES)
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/tests/signon.py b/src/sas/sascalc/simulation/analmodelpy/tests/signon.py
new file mode 100644
index 0000000..175474c
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/tests/signon.py
@@ -0,0 +1,35 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+if __name__ == "__main__":
+
+ import analmodelpy
+ from analmodelpy import analmodelpy as analmodelpymodule
+
+ print "copyright information:"
+ print " ", analmodelpy.copyright()
+ print " ", analmodelpymodule.copyright()
+
+ print
+ print "module information:"
+ print " file:", analmodelpymodule.__file__
+ print " doc:", analmodelpymodule.__doc__
+ print " contents:", dir(analmodelpymodule)
+
+ print
+ print analmodelpymodule.hello()
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/tests/testanal_model.py b/src/sas/sascalc/simulation/analmodelpy/tests/testanal_model.py
new file mode 100644
index 0000000..7382cc0
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/tests/testanal_model.py
@@ -0,0 +1,41 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+if __name__ == "__main__":
+
+ from SASsimulation import analmodelpy as analmodelpymodule
+ from SASsimulation import iqPy
+ from SASsimulation import geoshapespy
+
+ print "copyright information:"
+ print " ", analmodelpymodule.copyright()
+
+ print
+ print "module information:"
+ print " file:", analmodelpymodule.__file__
+ print " doc:", analmodelpymodule.__doc__
+ print " contents:", dir(analmodelpymodule)
+
+ a = geoshapespy.new_sphere(1.0)
+ iq = iqPy.new_iq(10,0.001, 0.3)
+ anal = analmodelpymodule.new_analmodel(a)
+ analmodelpymodule.CalculateIQ(anal,iq)
+ iqPy.OutputIQ(iq,"out.iq")
+
+
+
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/analmodelpy/tests/testanalytical_model.cc b/src/sas/sascalc/simulation/analmodelpy/tests/testanalytical_model.cc
new file mode 100644
index 0000000..24757ff
--- /dev/null
+++ b/src/sas/sascalc/simulation/analmodelpy/tests/testanalytical_model.cc
@@ -0,0 +1,22 @@
+#include <cassert>
+#include <iostream>
+#include "analytical_model.h"
+#include "sphere.h"
+
+using namespace std;
+
+void TestAnalyticalModel() {
+ Sphere sphere(1.0);
+ AnalyticalModel am(sphere);
+
+ IQ iq1(10,0.001, 0.3);
+ am.CalculateIQ(&iq1);
+
+ for (int i = 0; i < iq1.iq_data.dim1(); ++i)
+ cout << iq1.iq_data[i][0]<< " " << iq1.iq_data[i][1] <<endl;
+}
+
+int main(){
+ TestAnalyticalModel();
+ printf("PASS.\n");
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/Make.mm b/src/sas/sascalc/simulation/geoshapespy/Make.mm
new file mode 100644
index 0000000..eeafbae
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/Make.mm
@@ -0,0 +1,47 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = geoshapespy
+
+# directory structure
+
+BUILD_DIRS = \
+ libgeoshapespy \
+ geoshapespymodule \
+ geoshapespy \
+
+OTHER_DIRS = \
+ tests \
+ examples
+
+RECURSE_DIRS = $(BUILD_DIRS) $(OTHER_DIRS)
+
+#--------------------------------------------------------------------------
+#
+
+all:
+ BLD_ACTION="all" $(MM) recurse
+
+distclean::
+ BLD_ACTION="distclean" $(MM) recurse
+
+clean::
+ BLD_ACTION="clean" $(MM) recurse
+
+tidy::
+ BLD_ACTION="tidy" $(MM) recurse
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/examples/Make.mm b/src/sas/sascalc/simulation/geoshapespy/examples/Make.mm
new file mode 100644
index 0000000..5697d89
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/examples/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = geoshapespy
+PACKAGE = examples
+
+#--------------------------------------------------------------------------
+#
+
+all: clean
+
+release: clean
+ cvs release .
+
+update: clean
+ cvs update .
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespy/Make.mm b/src/sas/sascalc/simulation/geoshapespy/geoshapespy/Make.mm
new file mode 100644
index 0000000..56ea8b3
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespy/Make.mm
@@ -0,0 +1,35 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = geoshapespy
+PACKAGE = geoshapespy
+
+#--------------------------------------------------------------------------
+#
+
+all: export
+
+
+#--------------------------------------------------------------------------
+#
+# export
+
+EXPORT_PYTHON_MODULES = \
+ __init__.py
+
+
+export:: export-python-modules
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespy/__init__.py b/src/sas/sascalc/simulation/geoshapespy/geoshapespy/__init__.py
new file mode 100644
index 0000000..f1ea449
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespy/__init__.py
@@ -0,0 +1,21 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+def copyright():
+ return "geoshapespy pyre module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/Make.mm b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/Make.mm
new file mode 100644
index 0000000..a98c696
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = SASsimulation
+PACKAGE = geoshapespymodule
+MODULE = geoshapespy
+
+include std-pythonmodule.def
+include local.def
+
+PROJ_CXX_SRCLIB = -lgeoshapespy
+
+PROJ_SRCS = \
+ bindings.cc \
+ exceptions.cc \
+ misc.cc
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/bindings.cc b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/bindings.cc
new file mode 100644
index 0000000..cb50e00
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/bindings.cc
@@ -0,0 +1,63 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "bindings.h"
+
+#include "misc.h" // miscellaneous methods
+
+// the method table
+
+struct PyMethodDef pygeoshapespy_methods[] = {
+
+ //geoshapes methods: set_orientation; set_center
+ {pygeoshapespy_set_orientation__name__, pygeoshapespy_set_orientation,
+ METH_VARARGS, pygeoshapespy_set_orientation__doc__},
+
+ {pygeoshapespy_set_center__name__, pygeoshapespy_set_center,
+ METH_VARARGS, pygeoshapespy_set_center__doc__},
+
+ // new sphere
+ {pyanalmodelpy_new_sphere__name__, pyanalmodelpy_new_sphere,
+ METH_VARARGS, pyanalmodelpy_new_sphere__doc__},
+
+ // new cylinder
+ {pyanalmodelpy_new_cylinder__name__, pyanalmodelpy_new_cylinder,
+ METH_VARARGS, pyanalmodelpy_new_cylinder__doc__},
+
+ // new ellipsoid
+ {pyanalmodelpy_new_ellipsoid__name__, pyanalmodelpy_new_ellipsoid,
+ METH_VARARGS, pyanalmodelpy_new_ellipsoid__doc__},
+
+ // new hollowsphere
+ {pyanalmodelpy_new_hollowsphere__name__, pyanalmodelpy_new_hollowsphere,
+ METH_VARARGS, pyanalmodelpy_new_hollowsphere__doc__},
+
+ // new singlehelix
+ {pyanalmodelpy_new_singlehelix__name__, pyanalmodelpy_new_singlehelix,
+ METH_VARARGS, pyanalmodelpy_new_singlehelix__doc__},
+
+ {pygeoshapespy_copyright__name__, pygeoshapespy_copyright,
+ METH_VARARGS, pygeoshapespy_copyright__doc__},
+
+
+// Sentinel
+ {0, 0}
+};
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/bindings.h b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/bindings.h
new file mode 100644
index 0000000..4daaadc
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/bindings.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pygeoshapespy_bindings_h)
+#define pygeoshapespy_bindings_h
+
+// the method table
+
+extern struct PyMethodDef pygeoshapespy_methods[];
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/exceptions.cc b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/exceptions.cc
new file mode 100644
index 0000000..7020807
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/exceptions.cc
@@ -0,0 +1,22 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+PyObject *pygeoshapespy_runtimeError = 0;
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/exceptions.h b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/exceptions.h
new file mode 100644
index 0000000..445c7f2
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/exceptions.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pygeoshapespy_exceptions_h)
+#define pygeoshapespy_exceptions_h
+
+// exceptions
+
+extern PyObject *pygeoshapespy_runtimeError;
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/geoshapespymodule.cc b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/geoshapespymodule.cc
new file mode 100644
index 0000000..9553b4a
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/geoshapespymodule.cc
@@ -0,0 +1,44 @@
+// -*- C++ -*-
+
+#include <Python.h>
+
+
+#include "exceptions.h"
+#include "bindings.h"
+#include "myutil.h"
+
+
+char pygeoshapespy_module__doc__[] = "";
+
+// Initialization function for the module (*must* be called initgeoshapespy)
+extern "C"
+void
+initgeoshapespy()
+{
+ // create the module and add the functions
+ PyObject * m = Py_InitModule4(
+ "geoshapespy", pygeoshapespy_methods,
+ pygeoshapespy_module__doc__, 0, PYTHON_API_VERSION);
+
+ // get its dictionary
+ PyObject * d = PyModule_GetDict(m);
+
+ // check for errors
+ if (PyErr_Occurred()) {
+ Py_FatalError("can't initialize module geoshapespy");
+ }
+
+ // install the module exceptions
+ pygeoshapespy_runtimeError = PyErr_NewException("geoshapespy.runtime", 0, 0);
+ PyDict_SetItemString(d, "RuntimeException", pygeoshapespy_runtimeError);
+
+ // Seed the random number generator
+ seed_rnd();
+
+ return;
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/local.def b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/local.def
new file mode 100644
index 0000000..e376f3b
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/local.def
@@ -0,0 +1,24 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+# C++
+
+ PROJ_CXX_INCLUDES = ../libgeoshapespy \
+ ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../../pointsmodelpy/libpointsmodelpy
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/misc.cc b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/misc.cc
new file mode 100644
index 0000000..bd88aa1
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/misc.cc
@@ -0,0 +1,190 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "misc.h"
+#include "sphere.h"
+#include "cylinder.h"
+#include "ellipsoid.h"
+#include "hollow_sphere.h"
+#include "single_helix.h"
+
+// copyright
+
+char pygeoshapespy_copyright__doc__[] = "";
+char pygeoshapespy_copyright__name__[] = "copyright";
+
+static char pygeoshapespy_copyright_note[] =
+ "geoshapespy python module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+PyObject * pygeoshapespy_copyright(PyObject *, PyObject *)
+{
+ return Py_BuildValue("s", pygeoshapespy_copyright_note);
+}
+
+//GeoShape methods
+char pygeoshapespy_set_orientation__name__[] = "set_orientation";
+char pygeoshapespy_set_orientation__doc__[] = "Set the rotation angles";
+
+PyObject * pygeoshapespy_set_orientation(PyObject *, PyObject *args){
+ PyObject *pyshape = 0;
+ double angX=0,angY=0,angZ=0;
+
+ int ok = PyArg_ParseTuple(args, "Oddd", &pyshape,&angX,&angY,&angZ);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyshape);
+
+ GeoShape *shape = static_cast<GeoShape *>(temp);
+
+ shape->SetOrientation(angX,angY,angZ);
+
+ return Py_BuildValue("i", 0);
+}
+
+char pygeoshapespy_set_center__name__[] = "set_center";
+char pygeoshapespy_set_center__doc__[] = "new center for points translation";
+
+PyObject * pygeoshapespy_set_center(PyObject *, PyObject *args){
+
+ PyObject *pyshape = 0;
+ double tranX=0,tranY=0,tranZ=0;
+
+ int ok = PyArg_ParseTuple(args, "Oddd", &pyshape,&tranX,&tranY,&tranZ);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyshape);
+
+ GeoShape *shape = static_cast<GeoShape *>(temp);
+
+ shape->SetCenter(tranX,tranY,tranZ);
+
+ return Py_BuildValue("i", 0);
+}
+
+//Sphere constructor
+char pyanalmodelpy_new_sphere__name__[] = "new_sphere";
+char pyanalmodelpy_new_sphere__doc__[] = "sphere constructor";
+
+PyObject * pyanalmodelpy_new_sphere(PyObject *, PyObject *args){
+ double r;
+ int ok = PyArg_ParseTuple(args,"d",&r);
+ if(!ok) return 0;
+
+ Sphere *newsph = new Sphere(r);
+
+ return PyCObject_FromVoidPtr(newsph, PyDelSphere);
+}
+
+static void PyDelSphere(void *ptr){
+ Sphere * oldsph = static_cast<Sphere *>(ptr);
+ delete oldsph;
+
+ return;
+}
+
+//Cylinder constructor
+char pyanalmodelpy_new_cylinder__name__[] = "new_cylinder";
+char pyanalmodelpy_new_cylinder__doc__[] = "cylinder constructor";
+
+PyObject * pyanalmodelpy_new_cylinder(PyObject *, PyObject *args){
+ double r,h;
+ int ok = PyArg_ParseTuple(args,"dd",&r,&h);
+ if(!ok) return 0;
+
+ Cylinder *newcyl = new Cylinder(r,h);
+
+ return PyCObject_FromVoidPtr(newcyl, PyDelCylinder);
+}
+
+static void PyDelCylinder(void *ptr){
+ Cylinder * oldcyl = static_cast<Cylinder *>(ptr);
+ delete oldcyl;
+
+ return;
+}
+
+//Ellipsoid constructor
+char pyanalmodelpy_new_ellipsoid__name__[] = "new_ellipsoid";
+char pyanalmodelpy_new_ellipsoid__doc__[] = "ellipsoid constructor";
+
+PyObject * pyanalmodelpy_new_ellipsoid(PyObject *, PyObject *args){
+ double rx,ry,rz;
+ int ok = PyArg_ParseTuple(args,"ddd",&rx,&ry,&rz);
+ if(!ok) return 0;
+
+ Ellipsoid *newelli = new Ellipsoid(rx,ry,rz);
+
+ return PyCObject_FromVoidPtr(newelli, PyDelEllipsoid);
+}
+
+static void PyDelEllipsoid(void *ptr){
+ Ellipsoid * oldelli = static_cast<Ellipsoid *>(ptr);
+ delete oldelli;
+
+ return;
+}
+
+//Hollow Sphere constructor & methods
+char pyanalmodelpy_new_hollowsphere__name__[] = "new_hollowsphere";
+char pyanalmodelpy_new_hollowsphere__doc__[] = "";
+
+PyObject * pyanalmodelpy_new_hollowsphere(PyObject *, PyObject *args)
+{
+ double r, th;
+ int ok = PyArg_ParseTuple(args,"dd",&r, &th);
+ if(!ok) return 0;
+
+ HollowSphere *newhosph = new HollowSphere(r,th);
+
+ return PyCObject_FromVoidPtr(newhosph, PyDelHollowSphere);
+
+}
+
+static void PyDelHollowSphere(void *ptr)
+{
+ HollowSphere * oldhosph = static_cast<HollowSphere *>(ptr);
+ delete oldhosph;
+ return;
+}
+
+//Single Helix constructor & methods
+char pyanalmodelpy_new_singlehelix__name__[] = "new_singlehelix";
+char pyanalmodelpy_new_singlehelix__doc__[] = "";
+
+PyObject * pyanalmodelpy_new_singlehelix(PyObject *, PyObject *args)
+{
+ double hr,tr,pitch,turns;
+ int ok = PyArg_ParseTuple(args,"dddd",&hr,&tr,&pitch,&turns);
+ if(!ok) return 0;
+
+ SingleHelix *newsinhel = new SingleHelix(hr,tr,pitch,turns);
+
+ return PyCObject_FromVoidPtr(newsinhel, PyDelSingleHelix);
+
+}
+
+static void PyDelSingleHelix(void *ptr)
+{
+ SingleHelix * oldsinhel = static_cast<SingleHelix *>(ptr);
+ delete oldsinhel;
+ return;
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/misc.h b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/misc.h
new file mode 100644
index 0000000..1bb0594
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/geoshapespymodule/misc.h
@@ -0,0 +1,79 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pygeoshapespy_misc_h)
+#define pygeoshapespy_misc_h
+
+// copyright
+extern char pygeoshapespy_copyright__name__[];
+extern char pygeoshapespy_copyright__doc__[];
+extern "C"
+PyObject * pygeoshapespy_copyright(PyObject *, PyObject *);
+
+//GeoShape methods
+extern char pygeoshapespy_set_orientation__name__[];
+extern char pygeoshapespy_set_orientation__doc__[];
+extern "C"
+PyObject * pygeoshapespy_set_orientation(PyObject *, PyObject *);
+
+extern char pygeoshapespy_set_center__name__[];
+extern char pygeoshapespy_set_center__doc__[];
+extern "C"
+PyObject * pygeoshapespy_set_center(PyObject *, PyObject *);
+
+//Sphere constructor & methods
+extern char pyanalmodelpy_new_sphere__name__[];
+extern char pyanalmodelpy_new_sphere__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_new_sphere(PyObject *, PyObject *);
+
+static void PyDelSphere(void *);
+
+//Cylinder constructor & methods
+extern char pyanalmodelpy_new_cylinder__name__[];
+extern char pyanalmodelpy_new_cylinder__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_new_cylinder(PyObject *, PyObject *);
+
+static void PyDelCylinder(void *);
+
+//Ellipsoid constructor & method
+extern char pyanalmodelpy_new_ellipsoid__name__[];
+extern char pyanalmodelpy_new_ellipsoid__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_new_ellipsoid(PyObject *, PyObject *);
+
+static void PyDelEllipsoid(void *);
+
+//Hollow Sphere constructor & methods
+extern char pyanalmodelpy_new_hollowsphere__name__[];
+extern char pyanalmodelpy_new_hollowsphere__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_new_hollowsphere(PyObject *, PyObject *);
+
+static void PyDelHollowSphere(void *);
+
+//Single Helix constructor & methods
+extern char pyanalmodelpy_new_singlehelix__name__[];
+extern char pyanalmodelpy_new_singlehelix__doc__[];
+extern "C"
+PyObject * pyanalmodelpy_new_singlehelix(PyObject *, PyObject *);
+
+static void PyDelSingleHelix(void *);
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Make.mm b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Make.mm
new file mode 100644
index 0000000..bab493a
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Make.mm
@@ -0,0 +1,79 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+include local.def
+
+PROJECT = geoshapespy
+PACKAGE = libgeoshapespy
+
+PROJ_SAR = $(BLD_LIBDIR)/$(PACKAGE).$(EXT_SAR)
+PROJ_DLL = $(BLD_BINDIR)/$(PACKAGE).$(EXT_SO)
+PROJ_TMPDIR = $(BLD_TMPDIR)/$(PROJECT)/$(PACKAGE)
+PROJ_CLEAN += $(PROJ_SAR) $(PROJ_DLL)
+
+PROJ_SRCS = \
+ geo_shape.cc \
+ sphere.cc \
+ hollow_sphere.cc \
+ cylinder.cc \
+ ellipsoid.cc \
+ single_helix.cc \
+ Point3D.cc \
+ myutil.cc
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+# build the library
+
+all: $(PROJ_SAR) export
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+ifeq (Win32, ${findstring Win32, $(PLATFORM_ID)})
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_DLL) \
+ -Wl,--out-implib=$(PROJ_SAR) $(PROJ_OBJS)
+
+# export
+export:: export-headers export-libraries export-binaries
+
+else
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_SAR) $(PROJ_OBJS)
+
+# export
+export:: export-headers export-libraries
+
+endif
+
+EXPORT_HEADERS = \
+ geo_shape.h \
+ sphere.h \
+ hollow_sphere.h \
+ cylinder.h \
+ ellipsoid.h \
+ single_helix.h \
+ Point3D.h \
+ myutil.h
+
+
+EXPORT_LIBS = $(PROJ_SAR)
+EXPORT_BINS = $(PROJ_DLL)
+
+
+# version
+# $Id$
+
+#
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Point3D.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Point3D.cc
new file mode 100644
index 0000000..2ba89bf
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Point3D.cc
@@ -0,0 +1,220 @@
+//Point3D.cpp
+
+#include <cmath>
+#include <cstdlib>
+#include <stdexcept>
+#include "Point3D.h"
+
+using namespace std;
+
+Point3D::Point3D(double a, double b, double c, double sld)
+{
+ x = a;
+ y = b;
+ z = c;
+ sld_ = sld;
+}
+
+ostream& operator<< (ostream& os, const Point3D& p)
+{
+ os << "(" << p.getX() << ", " << p.getY() << ", " << p.getZ() << "," << p.getSLD() << ")";
+
+ return os;
+}
+
+double Point3D::distanceToPoint(const Point3D &p) const
+{
+ double dx=x-p.x;
+ double dy=y-p.y;
+ double dz=z-p.z;
+ return sqrt(dx*dx+dy*dy+dz*dz);
+}
+
+double Point3D::distanceToLine(const Point3D &p1, const Point3D &p2, bool * pIsOutside /* 0 */) const
+{
+ double u = ((x-p1.x)*(p2.x-p1.x) + (y-p1.y)*(p2.y-p1.y) + (z-p1.z)*(p2.z-p1.z))/(p1.distanceToPoint(p2)*p1.distanceToPoint(p2));
+
+ if(pIsOutside != 0) {
+ if ( u < 0 || u > 1)
+ *pIsOutside=true;
+ else
+ *pIsOutside=false;
+ }
+
+ double interX=p1.x+u*(p2.x-p1.x);
+ double interY=p1.y+u*(p2.y-p1.y);
+ double interZ=p1.z+u*(p2.z-p1.z);
+
+ return sqrt((x-interX)*(x-interX)+(y-interY)*(y-interY)+(z-interZ)*(z-interZ));
+}
+
+// p1 and p2 determine a line, they are two end points
+Point3D Point3D::getInterPoint(const Point3D &p1, const Point3D &p2, bool * pIsOutside /* 0 */) const
+{
+ double u = ((x-p1.x)*(p2.x-p1.x) + (y-p1.y)*(p2.y-p1.y) + (z-p1.z)*(p2.z-p1.z))/(p1.distanceToPoint(p2)*p1.distanceToPoint(p2));
+
+ if(pIsOutside != 0) {
+
+ if ( u < 0 || u > 1)
+ *pIsOutside=true;
+ else
+ *pIsOutside=false;
+ }
+
+ return Point3D(p1.x+u*(p2.x-p1.x), p1.y+u*(p2.y-p1.y), p1.z+u*(p2.z-p1.z));
+}
+
+void Point3D::set(double x1, double y1, double z1)
+{
+ x = x1;
+ y = y1;
+ z = z1;
+}
+
+double Point3D::norm() const
+{
+ return sqrt(x * x + y * y + z * z);
+}
+
+double Point3D::normalize()
+{
+ double v = norm();
+
+ if(v != 0) {
+ x /= v;
+ y /= v;
+ z /= v;
+ }
+
+ return v;
+}
+
+Point3D Point3D::normVector() const
+{
+ Point3D p;
+ double v = norm();
+
+ if(v != 0) {
+ p.x = x / v;
+ p.y = y / v;
+ p.z = z / v;
+ }
+
+ return p;
+}
+
+double Point3D::dotProduct(const Point3D &p) const
+{
+ return x * p.x + y * p.y + z * p.z;
+}
+
+Point3D Point3D::minus(const Point3D &p) const
+{
+ return Point3D(x - p.x, y - p.y, z - p.z);
+}
+
+Point3D Point3D::plus(const Point3D &p) const
+{
+ return Point3D(x + p.x, y + p.y, z + p.z);
+}
+
+Point3D& Point3D::operator=(const Point3D &p)
+{
+ x = p.x;
+ y = p.y;
+ z = p.z;
+ sld_ = p.sld_;
+
+ return *this;
+}
+
+void Point3D::scale(double s)
+{
+ x *= s;
+ y *= s;
+ z *= s;
+}
+
+Point3D Point3D::multiplyProduct(const Point3D &p)
+{
+ return Point3D(y * p.z - z * p.y, z * p.x - x * p.z, x * p.y - y * p.x);
+}
+
+void Point3D::Transform(const vector<double> &orien, const vector<double> ¢er){
+ if(orien[1]) RotateY(Degree2Radian(orien[1]));
+ if(orien[0]) RotateX(Degree2Radian(orien[0]));
+ if(orien[2]) RotateZ(Degree2Radian(orien[2]));
+
+ Translate(center[0],center[1],center[2]);
+}
+
+void Point3D::RotateX(const double ang_x)
+{
+ double sinA_ = sin(ang_x);
+ double cosA_ = cos(ang_x);
+
+ //x doesn't change;
+ double y_new= y*cosA_ - z*sinA_;
+ double z_new= y*sinA_ + z*cosA_;
+
+ y = y_new;
+ z = z_new;
+}
+
+void Point3D::RotateY(const double ang_y)
+{
+ double sinA_ = sin(ang_y);
+ double cosA_ = cos(ang_y);
+
+ double x_new = z*sinA_ + x*cosA_;
+ //y doesn't change
+ double z_new = z*cosA_ - x*sinA_;
+
+ x = x_new;
+ z = z_new;
+}
+
+void Point3D::RotateZ(const double ang_z)
+{
+ double sinA_ = sin(ang_z);
+ double cosA_ = cos(ang_z);
+
+ double x_new = x*cosA_ - y*sinA_;
+ double y_new = x*sinA_ + y*cosA_;
+ //z doesn't change
+
+ x = x_new;
+ y = y_new;
+}
+
+void Point3D::Translate(const double trans_x, const double trans_y, const double trans_z)
+{
+ double x_new = x + trans_x;
+ double y_new = y + trans_y;
+ double z_new = z + trans_z;
+
+ x = x_new;
+ y = y_new;
+ z = z_new;
+}
+
+double Point3D::Degree2Radian(const double degree)
+{
+ return degree/180*pi;
+}
+
+void Point3D::TransformMatrix(const vector<double> &rotmatrix, const vector<double> ¢er)
+{
+ if (rotmatrix.size() != 9 || center.size() != 3)
+ throw std::runtime_error("The size for rotation matrix vector has to be 9.");
+
+ double xold = x;
+ double yold = y;
+ double zold = z;
+
+ x = rotmatrix[0]*xold + rotmatrix[1]*yold + rotmatrix[2]*zold;
+ y = rotmatrix[3]*xold + rotmatrix[4]*yold + rotmatrix[5]*zold;
+ z = rotmatrix[6]*xold + rotmatrix[7]*yold + rotmatrix[8]*zold;
+
+ Translate(center[0],center[1],center[2]);
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Point3D.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Point3D.h
new file mode 100644
index 0000000..6a4ee66
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/Point3D.h
@@ -0,0 +1,87 @@
+//class point3D 1/29/2004 Jing
+//properties: copy point coordinates
+// calculate point to point distance
+// shortest distance from a point to a line
+
+
+#ifndef __POINT3D_
+#define __POINT3D_
+
+#include <iostream>
+#include <vector>
+
+using namespace std;
+
+const double pi = 3.1415926;
+
+class Point3D
+{
+ public:
+ Point3D() {}
+
+ //assign values with SLD to a point
+ Point3D(double a, double b, double c, double sld = 0);
+
+ // output
+ friend std::ostream& operator<<(std::ostream&, const Point3D&);
+
+ //distance to a point
+ double distanceToPoint(const Point3D &p) const;
+
+ //distance to a line
+ double distanceToLine(const Point3D &p1, const Point3D &p2, bool *pv = 0) const;
+
+ // get the point lying on the axis from a point
+ Point3D getInterPoint(const Point3D &p1, const Point3D &p2, bool *pv = 0) const;
+
+ // normalization
+ Point3D normVector() const;
+
+ // get length
+ double norm() const;
+
+ double normalize();
+
+ // assignment operator
+ Point3D& operator=(const Point3D &p);
+
+ // scale this point with s
+ void scale(double s);
+
+ // multiplication product of two vectors
+ Point3D multiplyProduct(const Point3D &p);
+
+ // p0 - p
+ Point3D minus(const Point3D &p) const;
+
+ // p0 + p
+ Point3D plus(const Point3D &p) const;
+
+ // dot product
+ double dotProduct(const Point3D &p) const;
+
+ //if you do not care if the point falls into the range of line,you can directly use distanceToLine(p1,p2)
+ void set(double x1, double y1, double z1);
+
+ double getX() const { return x; }
+ double getY() const { return y; }
+ double getZ() const { return z; }
+ double getSLD() const { return sld_; }
+
+ //Transformation
+ void Transform(const vector<double> &orien, const vector<double> ¢er);
+ void TransformMatrix(const vector<double> &rotmatrix, const vector<double> ¢er);
+ private:
+ double x, y, z;
+ double sld_;
+
+ void RotateX(const double ang_x);
+ void RotateY(const double ang_y);
+ void RotateZ(const double ang_z);
+ void Translate(const double trans_x, const double trans_y, const double trans_z);
+ double Degree2Radian(const double degree);
+};
+
+typedef std::vector<Point3D> Point3DVector;
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/cylinder.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/cylinder.cc
new file mode 100644
index 0000000..b52749a
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/cylinder.cc
@@ -0,0 +1,108 @@
+/** \file Cylinder.cc */
+#include <cmath>
+#include <cassert>
+#include "cylinder.h"
+#include "myutil.h"
+
+Cylinder::Cylinder()
+{
+ r_ = 0;
+}
+
+Cylinder::Cylinder(double radius,double length)
+{
+ r_ = radius;
+ l_ = length;
+ topcenter_ = Point3D(0,length/2,0);
+ botcenter_ = Point3D(0,-length/2,0);
+}
+
+Cylinder::~Cylinder()
+{
+}
+
+void Cylinder::SetRadius(double r)
+{
+ r_ = r;
+}
+
+void Cylinder::SetLength(double l)
+{
+ l_ = l;
+}
+
+double Cylinder::GetRadius()
+{
+ return r_;
+}
+
+double Cylinder::GetLength()
+{
+ return l_;
+}
+
+double Cylinder::GetMaxRadius()
+{
+ double maxr = sqrt(4*r_*r_ + l_*l_)/2;
+ return maxr;
+}
+
+ShapeType Cylinder::GetShapeType() const
+{
+ return CYLINDER;
+}
+
+double Cylinder::GetVolume()
+{
+ double V = pi * square(r_) * l_;
+ return V;
+}
+
+void Cylinder::GetFormFactor(IQ * iq)
+{
+ /** number of I for output, equal to the number of rows of array IQ*/
+ /** to be finished */
+}
+
+Point3D Cylinder::GetAPoint(double sld)
+{
+ /** cylinder long axis is along Y to match vtk actor */
+ static int max_try = 100;
+ for (int i = 0; i < max_try; ++i) {
+ double x = (ran1()-0.5) * 2 * r_;
+ double z = (ran1()-0.5) * 2 * r_;
+ double y = (ran1()-0.5) * l_;
+
+ Point3D apoint(x,y,z,sld);
+ //check the cross section on xy plane within a sphere at (0,)
+ if (apoint.distanceToPoint(Point3D(0,y,0)) <= r_ )
+ return apoint;
+ }
+
+ std::cerr << "Max try "
+ << max_try
+ << " is reached while generating a point in cylinder" << std::endl;
+ return Point3D(0, 0, 0);
+}
+
+bool Cylinder::IsInside(const Point3D& point) const
+{
+ bool isOutside = false;
+ double distToLine = point.distanceToLine(GetTopCenter(),GetBotCenter(),&isOutside);
+
+ return (distToLine <= r_ && !isOutside);
+}
+
+Point3D Cylinder::GetTopCenter() const
+{
+ Point3D new_center(topcenter_);
+ new_center.Transform(GetOrientation(),GetCenter());
+ return new_center;
+}
+
+Point3D Cylinder::GetBotCenter() const
+{
+ Point3D new_center(botcenter_);
+ new_center.Transform(GetOrientation(),GetCenter());
+ return new_center;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/cylinder.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/cylinder.h
new file mode 100644
index 0000000..02e0849
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/cylinder.h
@@ -0,0 +1,63 @@
+/** \file cylinder.h class Cylinder:GeoShape */
+
+#ifndef Cylinder_H
+#define Cylinder_H
+
+#include "geo_shape.h"
+
+/** class Cylinder, subclass of GeoShape */
+class Cylinder : public GeoShape {
+ public:
+
+ /** initialize */
+ Cylinder();
+
+ /** constructor with radius initialization */
+ Cylinder(double radius,double length);
+
+ ~Cylinder();
+
+ /** set parameter radius */
+ void SetRadius(double r);
+
+ /** set parameter length */
+ void SetLength(double l);
+
+ /** get the radius */
+ double GetRadius();
+
+ /** get the length */
+ double GetLength();
+
+ /** get the radius of the sphere to cover this shape */
+ double GetMaxRadius();
+
+ /** get the volume */
+ double GetVolume();
+
+ /** calculate the cylinder form factor, no scale, no background*/
+ void GetFormFactor(IQ * iq);
+
+ /** using a equation to check whether a point with XYZ lies
+ within the cylinder with center (0,0,0)
+ */
+ Point3D GetAPoint(double sld);
+
+ /** check whether a point is inside the cylinder at any position
+ in the 3D space
+ */
+ bool IsInside(const Point3D& point) const;
+
+ ShapeType GetShapeType() const;
+
+ protected:
+ Point3D GetTopCenter() const;
+ Point3D GetBotCenter() const;
+
+ private:
+ double r_, l_;
+ Point3D topcenter_,botcenter_;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/ellipsoid.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/ellipsoid.cc
new file mode 100644
index 0000000..08bf9bb
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/ellipsoid.cc
@@ -0,0 +1,165 @@
+/** \file Ellipsoid.cc */
+#include <cmath>
+#include <cassert>
+#include <algorithm>
+//MS library does not define min max in algorithm
+//#include "minmax.h"
+#include "ellipsoid.h"
+#include "myutil.h"
+
+using namespace std;
+
+Ellipsoid::Ellipsoid()
+{
+ rx_ = 0;
+ ry_ = 0;
+ rz_ = 0;
+}
+
+Ellipsoid::Ellipsoid(double rx, double ry, double rz)
+{
+ rx_ = rx;
+ ry_ = ry;
+ rz_ = rz;
+ xedge_plus_ = Point3D(rx,0,0);
+ xedge_minus_ = Point3D(-rx,0,0);
+ yedge_plus_ = Point3D(0,ry,0);
+ yedge_minus_ = Point3D(0,-ry,0);
+ zedge_plus_ = Point3D(0,0,rz);
+ zedge_minus_ = Point3D(0,0,-rz);
+}
+
+Ellipsoid::~Ellipsoid()
+{
+}
+
+void Ellipsoid::SetRadii(double rx, double ry, double rz)
+{
+ rx_ = rx;
+ ry_ = ry;
+ rz_ = rz;
+}
+
+double Ellipsoid::GetRadiusX()
+{
+ return rx_;
+}
+
+double Ellipsoid::GetRadiusY()
+{
+ return ry_;
+}
+
+double Ellipsoid::GetRadiusZ()
+{
+ return rz_;
+}
+
+double Ellipsoid::GetMaxRadius()
+{
+ double maxr = max(max(rx_,ry_),max(ry_,rz_));
+ return maxr;
+}
+
+ShapeType Ellipsoid::GetShapeType() const
+{
+ return ELLIPSOID;
+}
+
+double Ellipsoid::GetVolume()
+{
+ double V = (4./3.)*pi*rx_*ry_*rz_;
+ return V;
+}
+
+void Ellipsoid::GetFormFactor(IQ * iq)
+{
+ /** number of I for output, equal to the number of rows of array IQ*/
+ /** to be finished */
+}
+
+Point3D Ellipsoid::GetAPoint(double sld)
+{
+ static int max_try = 100;
+ for (int i = 0; i < max_try; ++i) {
+ double x = (ran1()-0.5) * 2 * rx_;
+ double y = (ran1()-0.5) * 2 * ry_;
+ double z = (ran1()-0.5) * 2 * rz_;
+
+ if ((square(x/rx_) + square(y/ry_) + square(z/rz_)) <= 1){
+ Point3D apoint(x,y,z,sld);
+ return apoint;
+ }
+ }
+
+ std::cerr << "Max try "
+ << max_try
+ << " is reached while generating a point in ellipsoid" << std::endl;
+ return Point3D(0, 0, 0);
+}
+
+bool Ellipsoid::IsInside(const Point3D& point) const
+{
+ //x, y, z axis are internal axis
+ bool isOutsideX = false;
+ Point3D pointOnX = point.getInterPoint(GetXaxisPlusEdge(),GetXaxisMinusEdge(),&isOutsideX);
+ bool isOutsideY = false;
+ Point3D pointOnY = point.getInterPoint(GetYaxisPlusEdge(),GetYaxisMinusEdge(),&isOutsideY);
+ bool isOutsideZ = false;
+ Point3D pointOnZ = point.getInterPoint(GetZaxisPlusEdge(),GetZaxisMinusEdge(),&isOutsideZ);
+
+ if (isOutsideX || isOutsideY || isOutsideZ){
+ //one is outside axis is true -> the point is not inside
+ return false;
+ }
+ else{
+ Point3D pcenter = GetCenterP();
+ double distX = pointOnX.distanceToPoint(pcenter);
+ double distY = pointOnY.distanceToPoint(pcenter);
+ double distZ = pointOnZ.distanceToPoint(pcenter);
+ return ((square(distX/rx_)+square(distY/ry_)+square(distZ/rz_)) <= 1);
+ }
+
+}
+
+Point3D Ellipsoid::GetXaxisPlusEdge() const
+{
+ Point3D new_edge(xedge_plus_);
+ new_edge.Transform(GetOrientation(),GetCenter());
+ return new_edge;
+}
+
+Point3D Ellipsoid::GetXaxisMinusEdge() const
+{
+ Point3D new_edge(xedge_minus_);
+ new_edge.Transform(GetOrientation(),GetCenter());
+ return new_edge;
+}
+
+Point3D Ellipsoid::GetYaxisPlusEdge() const
+{
+ Point3D new_edge(yedge_plus_);
+ new_edge.Transform(GetOrientation(),GetCenter());
+ return new_edge;
+}
+
+Point3D Ellipsoid::GetYaxisMinusEdge() const
+{
+ Point3D new_edge(yedge_minus_);
+ new_edge.Transform(GetOrientation(),GetCenter());
+ return new_edge;
+}
+
+Point3D Ellipsoid::GetZaxisPlusEdge() const
+{
+ Point3D new_edge(zedge_plus_);
+ new_edge.Transform(GetOrientation(),GetCenter());
+ return new_edge;
+}
+
+Point3D Ellipsoid::GetZaxisMinusEdge() const
+{
+ Point3D new_edge(zedge_minus_);
+ new_edge.Transform(GetOrientation(),GetCenter());
+ return new_edge;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/ellipsoid.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/ellipsoid.h
new file mode 100644
index 0000000..99568a0
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/ellipsoid.h
@@ -0,0 +1,65 @@
+/** \file cylinder.h class Cylinder:GeoShape */
+
+#ifndef Ellipsoid_H
+#define Ellipsoid_H
+
+#include "geo_shape.h"
+
+/** class Ellipsoid, subclass of GeoShape */
+class Ellipsoid : public GeoShape {
+ public:
+
+ /** initialize */
+ Ellipsoid();
+
+ /** constructor with radii initialization */
+ Ellipsoid(double rx,double ry, double rz);
+
+ ~Ellipsoid();
+
+ /** set parameter radii */
+ void SetRadii(double rx, double ry, double rz);
+
+ /** get the radii */
+ double GetRadiusX();
+ double GetRadiusY();
+ double GetRadiusZ();
+
+ /** get the radius of the sphere to cover this shape */
+ double GetMaxRadius();
+
+ /** get the volume */
+ double GetVolume();
+
+ /** calculate the cylinder form factor, no scale, no background*/
+ void GetFormFactor(IQ * iq);
+
+ /** using a equation to check whether a point with XYZ lies
+ within the cylinder with center (0,0,0)
+ */
+ Point3D GetAPoint(double sld);
+
+ /** check whether a point is inside the cylinder at any position
+ in the 3D space
+ */
+ bool IsInside(const Point3D& point) const;
+
+ ShapeType GetShapeType() const;
+
+ protected:
+ //get a point on three axis for function IsInside,using the edge point
+ Point3D GetXaxisPlusEdge() const;
+ Point3D GetXaxisMinusEdge() const;
+ Point3D GetYaxisPlusEdge() const;
+ Point3D GetYaxisMinusEdge() const;
+ Point3D GetZaxisPlusEdge() const;
+ Point3D GetZaxisMinusEdge() const;
+
+ private:
+ double rx_,ry_,rz_;
+ Point3D xedge_plus_,xedge_minus_;
+ Point3D yedge_plus_,yedge_minus_;
+ Point3D zedge_plus_,zedge_minus_;
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/geo_shape.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/geo_shape.cc
new file mode 100644
index 0000000..677d7c7
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/geo_shape.cc
@@ -0,0 +1,26 @@
+#include "geo_shape.h"
+
+void GeoShape::SetOrientation(double angX,double angY, double angZ){
+ orientation_[0]=angX;
+ orientation_[1]=angY;
+ orientation_[2]=angZ;
+}
+
+void GeoShape::SetCenter(double cenX,double cenY,double cenZ){
+ center_[0]=cenX;
+ center_[1]=cenY;
+ center_[2]=cenZ;
+}
+
+vector<double> GeoShape::GetOrientation() const {
+ return orientation_;
+}
+
+vector<double> GeoShape::GetCenter() const {
+ return center_;
+}
+
+Point3D GeoShape::GetCenterP() const {
+ Point3D p(center_[0],center_[1],center_[2]);
+ return p;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/geo_shape.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/geo_shape.h
new file mode 100644
index 0000000..fef7aa0
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/geo_shape.h
@@ -0,0 +1,66 @@
+/*! \file a abstract class GeoShape
+*/
+#ifndef GEOSHAPE_H
+#define GEOSHAPE_H
+
+#include "iq.h"
+#include "Point3D.h"
+#include <vector>
+
+using namespace std;
+
+#define triple(x) ((x) * (x) * (x))
+#define square(x) ((x) * (x))
+
+enum ShapeType{ SPHERE, HOLLOWSPHERE, CYLINDER , ELLIPSOID,SINGLEHELIX};
+
+/**
+ * class GeoShape, abstract class, parent class for Sphere, Cylinder ....
+ */
+
+class GeoShape{
+ public:
+
+ GeoShape(){
+ vector<double> init(3,0.0);
+ orientation_ = init;
+ center_ = init;
+ }
+
+ virtual ~GeoShape() {}
+
+ /** calculate the form factor for a simple shape */
+ virtual void GetFormFactor(IQ * iq) = 0;
+
+ /** Get a point that is within the simple shape*/
+ virtual Point3D GetAPoint(double sld) = 0;
+
+ /** check whether a point is inside the shape*/
+ virtual bool IsInside(const Point3D& point) const = 0;
+
+ virtual double GetVolume() = 0;
+
+ virtual ShapeType GetShapeType() const = 0;
+
+ /** get the radius of the sphere to cover the shape*/
+ virtual double GetMaxRadius() = 0;
+
+ void SetOrientation(double angX, double angY, double angZ);
+
+ void SetCenter(double cenX, double cenY, double cenZ);
+
+ vector<double> GetOrientation() const;
+
+ vector<double> GetCenter() const;
+
+ Point3D GetCenterP() const;
+
+ private:
+ vector<double> orientation_;
+
+ protected:
+ vector<double> center_;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/hollow_sphere.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/hollow_sphere.cc
new file mode 100644
index 0000000..d3b3198
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/hollow_sphere.cc
@@ -0,0 +1,83 @@
+/** \file hollowsphere.cc */
+#include <cmath>
+#include <cassert>
+#include "hollow_sphere.h"
+
+HollowSphere::HollowSphere()
+{
+ ro_ = 0;
+ th_ = 0;
+}
+
+HollowSphere::HollowSphere(double radius, double thickness)
+{
+ ro_ = radius;
+ th_ = thickness;
+}
+
+double HollowSphere::GetMaxRadius()
+{
+ double maxr = ro_;
+ return maxr;
+}
+
+void HollowSphere::GetFormFactor(IQ * iq)
+{
+ /** number of I for output, equal to the number of rows of array IQ*/
+ int numI = iq->iq_data.dim1();
+ double qmin = iq->GetQmin();
+ double qmax = iq->GetQmax();
+
+ assert(numI > 0);
+ assert(qmin > 0);
+ assert(qmax > 0);
+ assert( qmax > qmin );
+
+ double logMin = log10(qmin);
+ double z = logMin;
+ double logMax = log10(qmax);
+ double delta = (logMax - logMin) / (numI-1);
+
+ //not finished yet, need to find the part which is equal to 1
+ for(int i = 0; i < numI; ++i) {
+
+ /** temp for Q*/
+ double q = pow(z,10);
+
+ double ri_ = ro_ - th_ ;
+
+ double bes1 = 3.0 * (sin(q*ri_) - q*ri_*cos(q*ri_)) / triple(q) / triple(ri_);
+ double bes2 = 3.0 * (sin(q*ro_) - q*ro_*cos(q*ro_)) / triple(q) / triple(ro_);
+ double bes = (triple(ro_)*bes1 - triple(ri_)*bes2)/(triple(ro_) - triple(ri_));
+ /** double f is the temp for I, should be equal to one when q is 0*/
+ double f = bes * bes;
+
+ /** IQ[i][0] is Q,Q starts from qmin (non zero),q=0 handle separately IQ[i][1] is I */
+ iq->iq_data[i][0]= q;
+ iq->iq_data[i][1]= f;
+
+ z += delta;
+ }
+
+}
+
+Point3D HollowSphere::GetAPoint(double sld)
+{
+ return Point3D(0,0,0);
+}
+
+double HollowSphere::GetVolume()
+{
+ return 0;
+}
+
+bool HollowSphere::IsInside(const Point3D& point) const
+{
+ return true;
+}
+
+ShapeType HollowSphere::GetShapeType() const
+{
+ return HOLLOWSPHERE;
+}
+
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/hollow_sphere.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/hollow_sphere.h
new file mode 100644
index 0000000..5568f7a
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/hollow_sphere.h
@@ -0,0 +1,43 @@
+/** \file hollowsphere.h class HollowSphere:GeoShape */
+
+#ifndef HOLLOWSPHERE_H
+#define HOLLOWSPHERE_H
+
+#include "geo_shape.h"
+
+/** class Sphere, subclass of GeoShape */
+class HollowSphere : public GeoShape {
+ public:
+
+ /** initialize */
+ HollowSphere();
+
+ /** constructor with radius&length initialization */
+ HollowSphere(double radius, double thickness);
+
+ /** get the radius of the sphere to cover this shape */
+ double GetMaxRadius();
+
+ /** calculate the sphere form factor, no scale, no background*/
+ void GetFormFactor(IQ * iq);
+
+ /** using a equation to check whether a point with XYZ lies
+ within the sphere with center (0,0,0)
+ */
+ Point3D GetAPoint(double sld);
+
+ /** check whether point is inside hollow sphere*/
+ bool IsInside(const Point3D& point) const;
+
+ double GetVolume();
+
+ //get the shape type, return sphere
+ ShapeType GetShapeType() const;
+
+ private:
+ //outer radius, and the thickness of the shell
+ double ro_, th_;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/local.def b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/local.def
new file mode 100644
index 0000000..c363733
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/local.def
@@ -0,0 +1,30 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+#
+# Local (project) definitions
+#
+
+# C++
+
+PROJ_CXX_INCLUDES += ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../../pointsmodelpy/libpointsmodelpy
+
+ PROJ_CXX_FLAGS += $(CXX_SOFLAGS)
+ PROJ_LCXX_FLAGS += $(LCXX_SARFLAGS) -liqPy
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/minmax.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/minmax.h
new file mode 100644
index 0000000..189d885
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/minmax.h
@@ -0,0 +1,23 @@
+#ifndef GUARD_minmax_H
+#define GUARD_minmax_H
+#ifdef _MSC_VER
+// needed to cope with bug in MS library:
+// it fails to define min/max
+
+template <class T> inline T max(const T& a, const T& b)
+{
+
+ return (a > b) ? a : b;
+
+}
+
+template <class T> inline T min(const T& a, const T& b)
+{
+
+ return (a < b) ? a : b;
+
+}
+
+#endif
+
+#endif
\ No newline at end of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/myutil.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/myutil.cc
new file mode 100644
index 0000000..02a1dd2
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/myutil.cc
@@ -0,0 +1,16 @@
+/** \file myutil.cc */
+#include <cstdlib>
+#include <ctime>
+#include "myutil.h"
+
+using namespace std;
+
+void seed_rnd() {
+ srand((unsigned)time(NULL));
+}
+
+double ran1()
+{
+ return (double)rand() / (double) RAND_MAX;
+}
+
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/myutil.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/myutil.h
new file mode 100644
index 0000000..c31d86d
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/myutil.h
@@ -0,0 +1,9 @@
+/** \file myutil.h */
+#ifndef _MYUTIL_H
+#define _MYUTIL_H
+
+/** return a random float number between [0,1] */
+double ran1();
+void seed_rnd();
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/single_helix.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/single_helix.cc
new file mode 100644
index 0000000..71c6d24
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/single_helix.cc
@@ -0,0 +1,140 @@
+/** \file SingleHelix.cc */
+#include <cmath>
+#include <cassert>
+#include "single_helix.h"
+#include "myutil.h"
+
+SingleHelix::SingleHelix()
+{
+ hr_ = 0;
+ tr_ = 0;
+ pitch_ = 0;
+ turns_ = 0;
+}
+
+SingleHelix::SingleHelix(double helix_radius,double tube_radius,double pitch,double turns)
+{
+ hr_ = helix_radius;
+ tr_ = tube_radius;
+ pitch_ = pitch;
+ turns_ = turns;
+}
+
+SingleHelix::~SingleHelix()
+{
+}
+
+void SingleHelix::SetHelixRadius(double hr)
+{
+ hr_ = hr;
+}
+
+void SingleHelix::SetTubeRadius(double tr)
+{
+ tr_ = tr;
+}
+
+void SingleHelix::SetPitch(double pitch)
+{
+ pitch_ = pitch;
+}
+
+void SingleHelix::SetTurns(double turns)
+{
+ turns_ = turns;
+}
+
+double SingleHelix::GetHelixRadius()
+{
+ return hr_;
+}
+
+double SingleHelix::GetTubeRadius()
+{
+ return tr_;
+}
+
+double SingleHelix::GetPitch()
+{
+ return pitch_;
+}
+
+double SingleHelix::GetTurns()
+{
+ return turns_;
+}
+
+double SingleHelix::GetMaxRadius()
+{
+ // put helix into a cylinder
+ double r_ = hr_ + tr_;
+ double l_ = pitch_*turns_ + 2*tr_;
+ double maxr = sqrt(4*r_*r_ + l_*l_)/2;
+ return maxr;
+}
+
+ShapeType SingleHelix::GetShapeType() const
+{
+ return SINGLEHELIX;
+}
+
+double SingleHelix::GetVolume()
+{
+ double V = pi*square(tr_)*sqrt(square(2*pi*hr_)+square(turns_*pitch_));
+ return V;
+}
+
+void SingleHelix::GetFormFactor(IQ * iq)
+{
+ /** number of I for output, equal to the number of rows of array IQ*/
+ /** to be finished */
+}
+
+Point3D SingleHelix::GetAPoint(double sld)
+{
+ int max_try = 100;
+ int i = 0;
+ double point1 = 0, point2 = 0, point3 = 0;
+
+ do{
+ i++;
+ if (i > max_try)
+ break;
+ zr_ = tr_*sqrt(1+square((pitch_/(2*pi*hr_))));
+ point1 = (ran1()-0.5)*2*tr_;
+ point2 = (ran1()-0.5)*2*zr_;
+ point3 = (ran1()-0.5)*4*pi*turns_;
+ } while (((square(point1/hr_)+square(point2/zr_))>1) || (point2+pitch_*point3/(2*pi)<0));
+
+ double x = (point1 + hr_)*cos(point3);
+ double y = (point1 + hr_)*sin(point3);
+ //"-pitch_*turns_/2" is just to corretly center the helix
+ double z = point2 + pitch_*point3/(2*pi)-pitch_*turns_/2;
+
+ Point3D apoint(x,y,z,sld);
+ return apoint;
+
+
+ std::cerr << "Max try "
+ << max_try
+ << " is reached while generating a point in cylinder" << std::endl;
+
+ return Point3D(0,0,0);
+}
+
+bool SingleHelix::IsInside(const Point3D& point) const
+{
+ double x = point.getX()-center_[0];
+ double y = point.getY()-center_[1];
+ double z = point.getZ()-center_[2];
+
+ double p3 = atan(y/x);
+ double p2 = z-(pitch_*p3)/(2*pi);
+ double p1 = x/cos(p3)-hr_;
+
+ if ((square(p1/tr_)+square(p2/zr_))>1 || p2+pitch_*p3/(2*pi))
+ return false;
+ else
+ return true;
+}
+
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/single_helix.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/single_helix.h
new file mode 100644
index 0000000..dc6c5d8
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/single_helix.h
@@ -0,0 +1,75 @@
+/** \file cylinder.h class Cylinder:GeoShape */
+
+#ifndef SingleHelix_H
+#define SingleHelix_H
+
+#include "geo_shape.h"
+
+/** class SingleHelix, subclass of GeoShape */
+class SingleHelix : public GeoShape {
+ public:
+
+ /** initialize */
+ SingleHelix();
+
+ /** constructor with radius initialization */
+ SingleHelix(double helix_radius,double tube_radius,double pitch,double turns);
+
+ ~SingleHelix();
+
+ /** set parameter helix_radius */
+ void SetHelixRadius(double hr);
+
+ /** set parameter tube_radius */
+ void SetTubeRadius(double tr);
+
+ /** set parameter pitch */
+ void SetPitch(double pitch);
+
+ /** set parameter number of turns */
+ void SetTurns(double turns);
+
+ /** get the helix_radius */
+ double GetHelixRadius();
+
+ /** get the tube_radius */
+ double GetTubeRadius();
+
+ /** get the pitch */
+ double GetPitch();
+
+ /** get the number of turns */
+ double GetTurns();
+
+ /** get the radius of the sphere to cover this shape */
+ double GetMaxRadius();
+
+ /** get the volume */
+ double GetVolume();
+
+ /** calculate the single helix form factor, no scale, no background*/
+ void GetFormFactor(IQ * iq);
+
+ /** using a equation to check whether a point with XYZ lies
+ within the cylinder with center (0,0,0)
+ */
+ Point3D GetAPoint(double sld);
+
+ /** check whether a point is inside the cylinder at any position
+ in the 3D space
+ */
+ bool IsInside(const Point3D& point) const;
+
+ ShapeType GetShapeType() const;
+
+ protected:
+ //Point3D GetTopCenter() const;
+ //Point3D GetBotCenter() const;
+
+ private:
+ double hr_,tr_, pitch_, turns_,zr_;
+ Point3D topcenter_,botcenter_;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/sphere.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/sphere.cc
new file mode 100644
index 0000000..3b7ef08
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/sphere.cc
@@ -0,0 +1,106 @@
+/** \file Sphere.cc */
+#include <cmath>
+#include <cassert>
+#include "sphere.h"
+#include "myutil.h"
+
+Sphere::Sphere()
+{
+ r_ = 0;
+}
+
+Sphere::Sphere(double radius)
+{
+ r_ = radius;
+}
+
+Sphere::~Sphere()
+{
+}
+
+void Sphere::SetRadius(double r)
+{
+ r_ = r;
+}
+
+double Sphere::GetRadius()
+{
+ return r_;
+}
+
+double Sphere::GetMaxRadius()
+{
+ double maxr = r_;
+ return maxr;
+}
+
+ShapeType Sphere::GetShapeType() const
+{
+ return SPHERE;
+}
+
+double Sphere::GetVolume()
+{
+ double V = 4 * pi / 3 * triple(r_);
+ return V;
+}
+
+void Sphere::GetFormFactor(IQ * iq)
+{
+ /** number of I for output, equal to the number of rows of array IQ*/
+ int numI = iq->iq_data.dim1();
+ double qmin = iq->GetQmin();
+ double qmax = iq->GetQmax();
+
+ assert(numI > 0);
+ assert(qmin > 0);
+ assert(qmax > 0);
+ assert( qmax > qmin );
+
+ double logMin = log10(qmin);
+ double z = logMin;
+ double logMax = log10(qmax);
+ double delta = (logMax - logMin) / (numI-1);
+
+ for(int i = 0; i < numI; ++i) {
+
+ /** temp for Q*/
+ double q = pow(z, 10);
+
+ double bes = 3.0 * (sin(q*r_) - q*r_*cos(q*r_)) / triple(q) / triple(r_);
+
+ /** double f is the temp for I, should be equal to one when q is 0*/
+ double f = bes * bes;
+
+ /** IQ[i][0] is Q,Q starts from qmin (non zero),q=0 handle separately IQ[i][1] is IQ*/
+ iq->iq_data[i][0]= q;
+ iq->iq_data[i][1]= f;
+
+ z += delta;
+ }
+}
+
+Point3D Sphere::GetAPoint(double sld)
+{
+ static int max_try = 100;
+ for (int i = 0; i < max_try; ++i) {
+ double x = (ran1()-0.5) * 2 * r_;
+ double y = (ran1()-0.5) * 2 * r_;
+ double z = (ran1()-0.5) * 2 * r_;
+
+ Point3D apoint(x,y,z,sld);
+ if (apoint.distanceToPoint(Point3D(0,0,0)) <=r_ ) //dist to origin give sphere shape
+ return apoint;
+ }
+
+ std::cerr << "Max try "
+ << max_try
+ << " is reached while generating a point in sphere" << std::endl;
+ return Point3D(0, 0, 0);
+}
+
+bool Sphere::IsInside(const Point3D& point) const
+{
+ return point.distanceToPoint(Point3D(center_[0], center_[1], center_[2])) <= r_;
+ cout << "distance = " << point.distanceToPoint(Point3D(center_[0], center_[1], center_[2])) << endl;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/sphere.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/sphere.h
new file mode 100644
index 0000000..f2d5b8f
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/sphere.h
@@ -0,0 +1,52 @@
+/** \file sphere.h class Sphere:GeoShape */
+
+#ifndef SPHERE_H
+#define SPHERE_H
+
+#include "geo_shape.h"
+
+/** class Sphere, subclass of GeoShape */
+class Sphere : public GeoShape {
+ public:
+
+ /** initialize */
+ Sphere();
+
+ /** constructor with radius initialization */
+ Sphere(double radius);
+
+ ~Sphere();
+
+ /** set parameter radius */
+ void SetRadius(double r);
+
+ /** get the radius */
+ double GetRadius();
+
+ /** Get the radius of the sphere to cover this shape */
+ double GetMaxRadius();
+
+ /** get the volume */
+ double GetVolume();
+
+ /** calculate the sphere form factor, no scale, no background*/
+ void GetFormFactor(IQ * iq);
+
+ /** using a equation to check whether a point with XYZ lies
+ within the sphere with center (0,0,0)
+ */
+ Point3D GetAPoint(double sld);
+
+ /** check whether a point is inside the sphere at any position
+ in the 3D space
+ */
+ bool IsInside(const Point3D& point) const;
+
+ ShapeType GetShapeType() const;
+
+ private:
+ double r_;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/transformation.cc b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/transformation.cc
new file mode 100644
index 0000000..bc9a8ea
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/transformation.cc
@@ -0,0 +1,73 @@
+#include "transformation.h"
+#include <math.h>
+#include <stdexcept>
+
+void RotateX(const double ang_x,Point3D &a_point)
+{
+ double sinA_ = sin(ang_x);
+ double cosA_ = cos(ang_x);
+ double pointX_ = a_point.getX();
+ double pointY_ = a_point.getY();
+ double pointZ_ = a_point.getZ();
+
+ double x_new_ = pointX_;
+ double y_new_ = pointY_*cosA_ - pointZ_*sinA_;
+ double z_new_ = pointY_*sinA_ - pointZ_*cosA_;
+
+ a_point.set(x_new_, y_new_, z_new_);
+}
+
+void RotateY(const double ang_y,Point3D &a_point)
+{
+ double sinA_ = sin(ang_y);
+ double cosA_ = cos(ang_y);
+ double pointX_ = a_point.getX();
+ double pointY_ = a_point.getY();
+ double pointZ_ = a_point.getZ();
+
+ double x_new_ = pointX_*cosA_ + pointZ_*sinA_;
+ double y_new_ = pointY_;
+ double z_new_ = -pointX_*sinA_ + pointZ_*cosA_;
+
+ a_point.set(x_new_, y_new_, z_new_);
+}
+
+void RotateZ(const double ang_z,Point3D &a_point)
+{
+ double sinA_= sin(ang_z);
+ double cosA_ = cos(ang_z);
+ double pointX_ = a_point.getX();
+ double pointY_ = a_point.getY();
+ double pointZ_ = a_point.getZ();
+
+ double x_new_ = pointX_*cosA_ - pointY_*sinA_;
+ double y_new_ = pointX_*sinA_+ pointY_*cosA_;
+ double z_new_ = pointZ_;
+
+ a_point.set(x_new_, y_new_, z_new_);
+}
+
+void Translate(const double trans_x, const double trans_y, const double trans_z, Point3D &a_point)
+{
+ double x_new_ = a_point.getX() + trans_x;
+ double y_new_ = a_point.getY() + trans_y;
+ double z_new_ = a_point.getZ() + trans_z;
+
+ a_point.set(x_new_, y_new_, z_new_);
+}
+
+void RotateMatrix(const vector<double> &rotmatrix, Point3D &a_point)
+{
+ if (rotmatrix.size() != 9)
+ throw std::runtime_error("The size for rotation matrix vector has to be 9.");
+
+ double xold = a_point.getX();
+ double yold = a_point.getY();
+ double zold = a_point.getZ();
+
+ double x_new_ = rotmatrix[0]*xold + rotmatrix[1]*yold + rotmatrix[2]*zold;
+ double y_new_ = rotmatrix[3]*xold + rotmatrix[4]*yold + rotmatrix[5]*zold;
+ double z_new_ = rotmatrix[6]*xold + rotmatrix[7]*yold + rotmatrix[8]*zold;
+
+ a_point.set(x_new_, y_new_, z_new_);
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/transformation.h b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/transformation.h
new file mode 100644
index 0000000..1f98865
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/libgeoshapespy/transformation.h
@@ -0,0 +1,21 @@
+/** \file transformation.h: a few functions to do the transformation */
+
+#ifndef TRANSFORMATION_H
+//Transform operation on a Point3D
+//Not in use, similar transformation are implemented as Point3D class functions
+
+#define TRANSFORMATION_H
+
+#include <vector>
+#include "Point3D.h"
+
+void RotateX(const double ang_x,Point3D &);
+void RotateY(const double ang_y,Point3D &);
+void RotateZ(const double ang_z,Point3D &);
+void Translate(const double trans_x, const double trans_y, const double trans_z, Point3D &);
+
+//rotate a point by given a rotation 3X3 matrix
+//vec[0]=R00, vec[1]=R01.......vec[8]=R22
+void RotateMatrix(const vector<double> &, Point3D &);
+
+#endif
diff --git a/src/sas/sascalc/simulation/geoshapespy/tests/Make.mm b/src/sas/sascalc/simulation/geoshapespy/tests/Make.mm
new file mode 100644
index 0000000..a4fcaec
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/tests/Make.mm
@@ -0,0 +1,59 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = geoshapespy
+PACKAGE = tests
+
+PROJ_CLEAN += $(PROJ_CPPTESTS)
+
+PROJ_CXX_INCLUDES += ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../libgeoshapespy \
+ ../../pointsmodelpy/libpointsmodelpy
+
+PROJ_PYTESTS =
+PROJ_CPPTESTS = testpoint
+
+PROJ_TESTS = $(PROJ_PYTESTS) $(PROJ_CPPTESTS)
+PROJ_LIBRARIES = -L$(BLD_LIBDIR) -lgeoshapespy -liqPy -lpointsmodelpy
+
+
+#--------------------------------------------------------------------------
+#
+
+all: $(PROJ_TESTS)
+
+test:
+ for test in $(PROJ_TESTS) ; do $${test}; done
+
+release: tidy
+ cvs release .
+
+update: clean
+ cvs update .
+
+#--------------------------------------------------------------------------
+#
+
+testshapes: testshapes.cc $(BLD_LIBDIR)/libgeoshapespy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -o $@ testshapes.cc $(PROJ_LIBRARIES)
+
+testpoint: testPoint.cc $(BLD_LIBDIR)/libgeoshapespy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -o $@ testPoint.cc $(PROJ_LIBRARIES)
+
+testtransformation: testtransformation.cc $(BLD_LIBDIR)/libgeoshapespy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -o $@ testtransformation.cc $(PROJ_LIBRARIES)
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/tests/testPoint.cc b/src/sas/sascalc/simulation/geoshapespy/tests/testPoint.cc
new file mode 100644
index 0000000..4ef7abb
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/tests/testPoint.cc
@@ -0,0 +1,40 @@
+#include <iostream>
+#include <vector>
+#include "Point3D.h"
+
+
+using namespace std;
+
+int main(){
+
+ cout << "test 1:initialize a point, set orientation, set center"
+ << " and perform transform" <<endl;
+ Point3D apoint(3,4,5);
+
+ vector<double> orient(3),center(3);
+ for (int i = 0; i!=3; ++i){
+ center[i] = 0;
+ }
+ orient[0]=10;
+ orient[1]=0;
+ orient[2]=30;
+
+ apoint.Transform(orient,center);
+
+ cout << apoint.getX() <<" "<<apoint.getY()<<" "<<apoint.getZ()<<endl;
+ cout << orient[0] <<" "<<orient[1]<<" "<<orient[2]<<endl;
+
+ cout << "test 2: initialize a point, and perform transformation \n"
+ << "through a rotation matrix and a translation" <<endl;
+
+ vector<double> rotmatrix(9,1);
+ for (size_t i = 0; i != rotmatrix.size(); ++i){
+ cout << rotmatrix[i] <<" ";
+ }
+
+ Point3D pp(1,1,1);
+ pp.TransformMatrix(rotmatrix, center);
+
+ cout << pp.getX() <<" "<<pp.getY()<<" "<<pp.getZ()<<endl;
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/tests/testorientation.cc b/src/sas/sascalc/simulation/geoshapespy/tests/testorientation.cc
new file mode 100644
index 0000000..6abdaa5
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/tests/testorientation.cc
@@ -0,0 +1,13 @@
+#include "sphere.h"
+#include <iostream>
+
+int main(){
+ Sphere sph1(10);
+ sph1.SetOrientation(10,20,30);
+ sph1.SetCenter(1,5,10);
+
+ vector<double> v1 = sph1.GetOrientation();
+ cout << v1[0] <<endl;
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/tests/testshapes.cc b/src/sas/sascalc/simulation/geoshapespy/tests/testshapes.cc
new file mode 100644
index 0000000..4595a8e
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/tests/testshapes.cc
@@ -0,0 +1,171 @@
+#include <cassert>
+#include <iostream>
+#include <vector>
+#include "sphere.h"
+#include "cylinder.h"
+#include "hollow_sphere.h"
+#include "ellipsoid.h"
+#include "single_helix.h"
+#include "iq.h"
+
+using namespace std;
+
+void TestGetFormFactor_sphere() {
+ Sphere sphere(1.0);
+
+ IQ iq1(10,0.001, 0.3);
+ sphere.GetFormFactor(&iq1);
+
+ for (int i = 0; i< iq1.iq_data.dim1(); i++)
+ cout << iq1.iq_data[i][0]<< " " << iq1.iq_data[i][1] <<endl;
+}
+
+void TestGetShapeType_sphere() {
+ Sphere sphere;
+ //if (assert(sphere.GetShapeType() == SPHERE))
+ // cout << " it is a sphere" << endl;
+ cout << sphere.GetShapeType() << endl;
+}
+
+void TestGetShapeType(GeoShape &gs){
+ cout <<gs.GetShapeType() << endl;
+}
+
+void TestGetVolume_sphere() {
+ Sphere s(1);
+ cout << "volume is " << s.GetVolume();
+}
+
+void TestGetAPoint_sphere(){
+ Sphere asphere(10);
+ cout << asphere.GetAPoint(1) << endl;
+}
+
+void TestGetFormFactor_HS(){
+
+ HollowSphere hs(10, 2);
+
+ IQ iq1(10, 0.001, 0.3);
+ hs.GetFormFactor(&iq1);
+
+ for (int i = 0; i< iq1.iq_data.dim1(); i++)
+ cout << iq1.iq_data[i][0]<< " " << iq1.iq_data[i][1] <<endl;
+
+
+}
+
+void TestGetShapeType_HS(){
+ HollowSphere hs1;
+ assert(hs1.GetShapeType() == HOLLOWSPHERE);
+}
+
+void TestIsInside_sphere(){
+ cout << "Testing IsInside(): ";
+ Sphere s1(10);
+ Point3D pp(20,30,30);
+ Point3D pp2(1,1,1);
+
+ cout << s1.IsInside(pp) <<" " << s1.IsInside(pp2) << " ";
+ cout << "Finished testing IsInside()" <<endl;
+}
+
+void TestCylinder(){
+ Cylinder c1(10,20);
+ Point3D p1 = c1.GetAPoint(1);
+ Point3D p4 = c1.GetAPoint(1);
+ cout << "Got two points inside the cylinder" << endl;
+ cout << "the distance is: " << p1.distanceToPoint(p4);
+ cout << p1 << endl;
+ cout << "is this point inside?:" << c1.IsInside(p1) << endl;
+
+ Point3D p2(20,20,20);
+ cout << "this point should be outside:" << c1.IsInside(p2) <<endl;
+
+ c1.SetOrientation(10,10,10);
+ c1.SetCenter(20,20,20);
+
+ vector<double> ori;
+ ori.push_back(10);
+ ori.push_back(10);
+ ori.push_back(20);
+
+ vector<double> cen;
+ cen.push_back(20);
+ cen.push_back(20);
+ cen.push_back(20);
+
+ p1.Transform(ori,cen);
+ cout << "is the p1 still inside after orientation?" << c1.IsInside(p1) << endl;
+ cout << "p1 p2 distance: " <<p1.distanceToPoint(p4) << endl;
+
+ Point3D p3(0,0,0);
+ cout <<" this origin point should be outside after transformation:" << c1.IsInside(p3) <<endl;
+
+ Point3D pp1(6.8,-2.11,11);
+ cout <<"is pp1 inside? "<< c1.IsInside(pp1) << endl;
+
+}
+
+void TestEllipsoid(){
+ Ellipsoid e1(5,10,15);
+ cout << "generated an ellipsoid:"<<e1.GetRadiusX()<<" ";
+ cout <<e1.GetRadiusY()<<" " << e1.GetRadiusZ() << endl;
+ cout << "maximum radius is: " << e1.GetMaxRadius() << endl;
+ cout << "volume is : " << e1.GetVolume() << endl;
+ cout << "Get a point: " << e1.GetAPoint(1.0) << endl;
+
+ Point3D p1(1,2,3);
+ Point3D p2(6,11,16);
+ Point3D p3(100,100,100);
+ cout <<"is " << p1 << " inside? " << e1.IsInside(p1) << endl;
+ cout <<"is " << p2 << " inside? " << e1.IsInside(p2) << endl;
+
+ e1.SetCenter(10,10,10);
+ Point3D p4(11,12,13);
+ cout <<"is " << p2 << " inside after moved? " << e1.IsInside(p2) << endl;
+
+ e1.SetOrientation(90,90,90);
+ cout <<"is " << p3 << " inside after rotated? " << e1.IsInside(p3) << endl;
+
+}
+
+void TestSingleHelix(){
+
+ cout <<" Testing single helix" << endl;
+ SingleHelix sh(10,3,30,1);
+ cout << "Get a point" << sh.GetAPoint(1.0) << endl;
+
+ Point3D p1(1,1,-50); //cannot be in sh(10,3,30,1)
+ cout <<"is " << p1 <<" inside?" << sh.IsInside(p1)<< endl;
+ Point3D p2(-3.15922, -11.6193, 20.5302); //should be inside
+ cout <<"is " << p2 <<" inside?" << sh.IsInside(p2)<< endl;
+
+}
+
+int main(){
+
+ //cout << "testing sphere :\n" ;
+ //TestGetAPoint_sphere();
+ //TestGetShapeType_sphere();
+ //testing getting shape type from parent
+ //Sphere ss(1);
+ //TestGetShapeType(ss);
+ //TestGetVolume_sphere();
+ //TestIsInside_sphere();
+
+ //cout << "testing hollowsphere: \n" ;
+ //TestGetFormFactor_HS();
+ //TestGetShapeType_HS();
+ // TestGetVolume();
+
+ //cout << "testing cylinder:\n";
+ //TestCylinder();
+
+ //cout << "testing ellipsoid :\n";
+ //TestEllipsoid();
+
+ TestSingleHelix();
+ printf("PASS.\n");
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/geoshapespy/tests/testshapes.py b/src/sas/sascalc/simulation/geoshapespy/tests/testshapes.py
new file mode 100644
index 0000000..08223f3
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/tests/testshapes.py
@@ -0,0 +1,37 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+if __name__ == "__main__":
+
+ from SASsimulation import geoshapespy
+
+ print
+ print "module information:"
+ print " file:", geoshapespy.__file__
+ print " doc:", geoshapespy.__doc__
+ print " contents:", dir(geoshapespy)
+
+ sp = geoshapespy.new_sphere(10)
+# geoshapespy.set_orientation(sp,10,20,10)
+ cy = geoshapespy.new_cylinder(2,6)
+
+ el = geoshapespy.new_ellipsoid(25,15,10)
+
+ hs = geoshapespy.new_hollowsphere(10,2)
+
+ sh = geoshapespy.new_singlehelix(10,2,30,2)
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/geoshapespy/tests/testsphere.cc b/src/sas/sascalc/simulation/geoshapespy/tests/testsphere.cc
new file mode 100644
index 0000000..835a974
--- /dev/null
+++ b/src/sas/sascalc/simulation/geoshapespy/tests/testsphere.cc
@@ -0,0 +1,36 @@
+#include <cassert>
+#include <iostream>
+#include "sphere.h"
+#include "iq.h"
+
+using namespace std;
+
+void TestGetAnalyticalIQ() {
+ Sphere sphere(1.0);
+
+ IQ iq1(10,0.001, 0.3);
+ sphere.GetFormFactor(&iq1);
+
+ for (int i = 0; i< iq1.iq_data.dim1(); i++)
+ cout << iq1.iq_data[i][0]<< " " << iq1.iq_data[i][1] <<endl;
+}
+
+void TestGetShapeType() {
+ Sphere sphere;
+ assert(sphere.GetShapeType() == SPHERE);
+}
+
+void TestGetVolume() {
+ Sphere s(1);
+ cout << "volume is " << s.GetVolume();
+}
+
+int main(){
+ TestGetAnalyticalIQ();
+ TestGetShapeType();
+ TestGetVolume();
+
+ printf("PASS.\n");
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/iqPy/Make.mm b/src/sas/sascalc/simulation/iqPy/Make.mm
new file mode 100644
index 0000000..c6e24cb
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/Make.mm
@@ -0,0 +1,47 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = SASsimulation
+
+# directory structure
+
+BUILD_DIRS = \
+ libiqPy \
+ iqPymodule \
+ iqPy \
+
+OTHER_DIRS = \
+ tests \
+ examples
+
+RECURSE_DIRS = $(BUILD_DIRS) $(OTHER_DIRS)
+
+#--------------------------------------------------------------------------
+#
+
+all:
+ BLD_ACTION="all" $(MM) recurse
+
+distclean::
+ BLD_ACTION="distclean" $(MM) recurse
+
+clean::
+ BLD_ACTION="clean" $(MM) recurse
+
+tidy::
+ BLD_ACTION="tidy" $(MM) recurse
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/examples/Make.mm b/src/sas/sascalc/simulation/iqPy/examples/Make.mm
new file mode 100644
index 0000000..830c03b
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/examples/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = SASsimulation
+PACKAGE = examples
+
+#--------------------------------------------------------------------------
+#
+
+all: clean
+
+release: clean
+ cvs release .
+
+update: clean
+ cvs update .
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPy/Make.mm b/src/sas/sascalc/simulation/iqPy/iqPy/Make.mm
new file mode 100644
index 0000000..8b8ac65
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPy/Make.mm
@@ -0,0 +1,35 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = SASsimulation
+PACKAGE = iqPy
+
+#--------------------------------------------------------------------------
+#
+
+all: export
+
+
+#--------------------------------------------------------------------------
+#
+# export
+
+EXPORT_PYTHON_MODULES = \
+ __init__.py
+
+
+export:: export-python-modules
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPy/__init__.py b/src/sas/sascalc/simulation/iqPy/iqPy/__init__.py
new file mode 100644
index 0000000..5223ebe
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPy/__init__.py
@@ -0,0 +1,21 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+def copyright():
+ return "iqPy pyre module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/Make.mm b/src/sas/sascalc/simulation/iqPy/iqPymodule/Make.mm
new file mode 100644
index 0000000..d2dd983
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/Make.mm
@@ -0,0 +1,31 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = SASsimulation
+PACKAGE = iqPymodule
+MODULE = iqPy
+
+include std-pythonmodule.def
+include local.def
+
+PROJ_CXX_SRCLIB = -liqPy
+PROJ_SRCS = \
+ bindings.cc \
+ exceptions.cc \
+ misc.cc
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/bindings.cc b/src/sas/sascalc/simulation/iqPy/iqPymodule/bindings.cc
new file mode 100644
index 0000000..cfa3ab9
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/bindings.cc
@@ -0,0 +1,44 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "bindings.h"
+
+#include "misc.h" // miscellaneous methods
+
+// the method table
+
+struct PyMethodDef pyiqPy_methods[] = {
+
+ // new_iq
+ {pyiqPy_new_iq__name__, pyiqPy_new_iq,
+ METH_VARARGS, "iq(int numI,double qmin, double qmax)->new IQ object"},
+
+ //OutputIQ
+ {pyiqPy_OutputIQ__name__, pyiqPy_OutputIQ,
+ METH_VARARGS, pyiqPy_OutputIQ__doc__},
+
+ {pyiqPy_copyright__name__, pyiqPy_copyright,
+ METH_VARARGS, pyiqPy_copyright__doc__},
+
+
+// Sentinel
+ {0, 0}
+};
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/bindings.h b/src/sas/sascalc/simulation/iqPy/iqPymodule/bindings.h
new file mode 100644
index 0000000..0f27d3b
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/bindings.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pyiqPy_bindings_h)
+#define pyiqPy_bindings_h
+
+// the method table
+
+extern struct PyMethodDef pyiqPy_methods[];
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/exceptions.cc b/src/sas/sascalc/simulation/iqPy/iqPymodule/exceptions.cc
new file mode 100644
index 0000000..30fd756
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/exceptions.cc
@@ -0,0 +1,22 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+PyObject *pyiqPy_runtimeError = 0;
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/exceptions.h b/src/sas/sascalc/simulation/iqPy/iqPymodule/exceptions.h
new file mode 100644
index 0000000..77a4f38
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/exceptions.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pyiqPy_exceptions_h)
+#define pyiqPy_exceptions_h
+
+// exceptions
+
+extern PyObject *pyiqPy_runtimeError;
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/iqPymodule.cc b/src/sas/sascalc/simulation/iqPy/iqPymodule/iqPymodule.cc
new file mode 100644
index 0000000..8f68df2
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/iqPymodule.cc
@@ -0,0 +1,52 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+
+#include <Python.h>
+
+#include "exceptions.h"
+#include "bindings.h"
+
+
+char pyiqPy_module__doc__[] = "";
+
+// Initialization function for the module (*must* be called initiqPy)
+extern "C"
+void
+initiqPy()
+{
+ // create the module and add the functions
+ PyObject * m = Py_InitModule4(
+ "iqPy", pyiqPy_methods,
+ pyiqPy_module__doc__, 0, PYTHON_API_VERSION);
+
+ // get its dictionary
+ PyObject * d = PyModule_GetDict(m);
+
+ // check for errors
+ if (PyErr_Occurred()) {
+ Py_FatalError("can't initialize module iqPy");
+ }
+
+ // install the module exceptions
+ pyiqPy_runtimeError = PyErr_NewException("iqPy.runtime", 0, 0);
+ PyDict_SetItemString(d, "RuntimeException", pyiqPy_runtimeError);
+
+ return;
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/local.def b/src/sas/sascalc/simulation/iqPy/iqPymodule/local.def
new file mode 100644
index 0000000..7bfd75d
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/local.def
@@ -0,0 +1,21 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+# C++
+
+ PROJ_CXX_INCLUDES = ../libiqPy/tnt \
+ ../libiqPy
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/misc.cc b/src/sas/sascalc/simulation/iqPy/iqPymodule/misc.cc
new file mode 100644
index 0000000..a10f9d8
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/misc.cc
@@ -0,0 +1,82 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "misc.h"
+#include "iq.h"
+
+
+// copyright
+
+char pyiqPy_copyright__doc__[] = "";
+char pyiqPy_copyright__name__[] = "copyright";
+
+static char pyiqPy_copyright_note[] =
+ "iqPy python module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+PyObject * pyiqPy_copyright(PyObject *, PyObject *)
+{
+ return Py_BuildValue("s", pyiqPy_copyright_note);
+}
+
+// iq(int numI,double qmin,double qmax)
+char pyiqPy_new_iq__doc__[] = "wrap class iq in C++";
+char pyiqPy_new_iq__name__[] = "new_iq";
+
+PyObject * pyiqPy_new_iq(PyObject *, PyObject *args)
+{
+ int py_numI;
+ double py_qmin, py_qmax;
+ int ok = PyArg_ParseTuple(args,"idd",&py_numI, &py_qmin, &py_qmax);
+ if(!ok) return 0;
+
+ IQ *iq = new IQ(py_numI,py_qmin,py_qmax);
+
+ return PyCObject_FromVoidPtr(iq, NULL);
+}
+
+//output iq to file
+extern char pyiqPy_OutputIQ__name__[] = "OutputIQ";
+extern char pyiqPy_OutputIQ__doc__[] = "";
+
+PyObject * pyiqPy_OutputIQ(PyObject *, PyObject *args){
+ PyObject *pyiq = 0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args,"Os", &pyiq, &outfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyiq);
+
+ IQ * thisiq = static_cast<IQ *>(temp);
+
+ thisiq->OutputIQ(outfile);
+
+ return Py_BuildValue("i",0);
+}
+
+//release the iq object
+static void PyDeliq(void *ptr)
+{
+ std::cout<<"Called PyDeliq()\n"; //Good to see once
+ IQ * oldiq = static_cast<IQ *>(ptr);
+ delete oldiq;
+ return;
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/iqPymodule/misc.h b/src/sas/sascalc/simulation/iqPy/iqPymodule/misc.h
new file mode 100644
index 0000000..0c0478a
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/iqPymodule/misc.h
@@ -0,0 +1,43 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pyiqPy_misc_h)
+#define pyiqPy_misc_h
+
+// copyright
+extern char pyiqPy_copyright__name__[];
+extern char pyiqPy_copyright__doc__[];
+extern "C"
+PyObject * pyiqPy_copyright(PyObject *, PyObject *);
+
+// iq constructor, iq(int, double, double)
+extern char pyiqPy_new_iq__name__[];
+extern char pyiqPy_new_iq__doc__[];
+extern "C"
+PyObject * pyiqPy_new_iq(PyObject *, PyObject *);
+
+//output iq to file
+extern char pyiqPy_OutputIQ__name__[];
+extern char pyiqPy_OutputIQ__doc__[];
+extern "C"
+PyObject * pyiqPy_OutputIQ(PyObject *, PyObject *);
+
+//release the iq object
+static void PyDeliq(void *ptr);
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/Make.mm b/src/sas/sascalc/simulation/iqPy/libiqPy/Make.mm
new file mode 100644
index 0000000..bc1c53d
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/Make.mm
@@ -0,0 +1,64 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+include local.def
+
+PROJECT = iqPy
+PACKAGE = libiqPy
+
+PROJ_SAR = $(BLD_LIBDIR)/$(PACKAGE).$(EXT_SAR)
+PROJ_DLL = $(BLD_BINDIR)/$(PACKAGE).$(EXT_SO)
+PROJ_TMPDIR = $(BLD_TMPDIR)/$(PROJECT)/$(PACKAGE)
+PROJ_CLEAN += $(PROJ_SAR) $(PROJ_DLL)
+
+PROJ_SRCS = \
+ iq.cc
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+# build the library
+
+all: $(PROJ_SAR) export
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+ifeq (Win32, ${findstring Win32, $(PLATFORM_ID)})
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_DLL) \
+ -Wl,--out-implib=$(PROJ_SAR) $(PROJ_OBJS)
+
+# export
+export:: export-headers export-libraries export-binaries
+
+else
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_SAR) $(PROJ_OBJS)
+
+# export
+export:: export-headers export-libraries
+
+endif
+
+EXPORT_HEADERS = \
+ iq.h
+
+EXPORT_LIBS = $(PROJ_SAR)
+EXPORT_BINS = $(PROJ_DLL)
+
+
+# version
+# $Id$
+
+#
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/iq.cc b/src/sas/sascalc/simulation/iqPy/libiqPy/iq.cc
new file mode 100644
index 0000000..276b1be
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/iq.cc
@@ -0,0 +1,80 @@
+/** \file iq.cc */
+
+#include "iq.h"
+#include <fstream>
+#include <iostream>
+
+using namespace std;
+
+IQ::IQ(int numI){
+
+ numI_ = numI;
+
+ Array2D<double> iq1(numI, 2, 0.0);
+
+ iq_data = iq1;
+}
+
+IQ::IQ(int numI,double qmin, double qmax){
+
+ numI_ = numI;
+ qmin_ = qmin;
+ qmax_ = qmax;
+
+ Array2D<double> iq1(numI, 2, 0.0);
+
+ iq_data = iq1;
+}
+
+void IQ::SetQmin(double qmin){
+ qmin_ = qmin;
+
+}
+
+void IQ::SetQmax(double qmax){
+ qmax_ = qmax;
+}
+
+void IQ::SetContrast(double delrho){
+ delrho_ = delrho;
+}
+
+void IQ::SetVolFrac(double vol_frac){
+ vol_frac_ = vol_frac;
+}
+
+double IQ::GetQmin(){
+ return qmin_;
+}
+
+double IQ::GetQmax(){
+ return qmax_;
+}
+
+double IQ::GetContrast(){
+ return delrho_;
+}
+
+double IQ::GetVolFrac(){
+ return vol_frac_;
+}
+
+int IQ::GetNumI(){
+ return numI_;
+}
+
+void IQ::OutputIQ(string fiq){
+ ofstream outfile(fiq.c_str());
+ if (!outfile) {
+ cerr << "error: unable to open output file: "
+ << outfile << endl;
+ exit(1);
+ }
+ for (int i = 0; i < iq_data.dim1(); ++i){
+ outfile << iq_data[i][0] << " " << iq_data[i][1] << endl;
+ }
+ // fprintf(fp,"%15lf%15lf%15lf\n", (j+1)*rstep, cor[j]/cormax, "0");
+
+
+
+}
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/iq.h b/src/sas/sascalc/simulation/iqPy/libiqPy/iq.h
new file mode 100644
index 0000000..264451f
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/iq.h
@@ -0,0 +1,45 @@
+/** \file iq.h class IQ */
+
+#ifndef IQ_H
+#define IQ_H
+
+#include <string>
+/**tnt: template numerical toolkit, http://math.nist.gov/tnt/ */
+#include "tnt/tnt.h"
+using namespace TNT;
+
+class IQ{
+
+ public:
+ IQ(int numI);
+ IQ(int numI,double qmin, double qmax);
+
+ void SetQmin(double qmin);
+ void SetQmax(double qmax);
+ void SetContrast(double delrho);
+ void SetVolFrac(double vol_frac);
+ void SetIQArray(Array2D<double> iq_array);
+
+ double GetQmin();
+ double GetQmax();
+ double GetContrast();
+ double GetVolFrac();
+ int GetNumI();
+
+ void OutputIQ(std::string fiq);
+
+ Array2D<double> iq_data;
+
+ private:
+ IQ();
+ double qmin_;
+ double qmax_;
+ double delrho_;
+ int numI_;
+ double vol_frac_;
+
+
+};
+
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/local.def b/src/sas/sascalc/simulation/iqPy/libiqPy/local.def
new file mode 100644
index 0000000..66c0028
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/local.def
@@ -0,0 +1,27 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+#
+# Local (project) definitions
+#
+
+# C++
+
+PROJ_CXX_INCLUDES += tnt
+ PROJ_CXX_FLAGS += $(CXX_SOFLAGS)
+ PROJ_LCXX_FLAGS += $(LCXX_SARFLAGS)
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt.h
new file mode 100644
index 0000000..92463e0
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt.h
@@ -0,0 +1,64 @@
+/*
+*
+* Template Numerical Toolkit (TNT): Linear Algebra Module
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+#ifndef TNT_H
+#define TNT_H
+
+
+
+//---------------------------------------------------------------------
+// Define this macro if you want TNT to track some of the out-of-bounds
+// indexing. This can encur a small run-time overhead, but is recommended
+// while developing code. It can be turned off for production runs.
+//
+// #define TNT_BOUNDS_CHECK
+//---------------------------------------------------------------------
+//
+
+//#define TNT_BOUNDS_CHECK
+
+
+
+#include "tnt_version.h"
+#include "tnt_math_utils.h"
+#include "tnt_array1d.h"
+#include "tnt_array2d.h"
+#include "tnt_array3d.h"
+#include "tnt_array1d_utils.h"
+#include "tnt_array2d_utils.h"
+#include "tnt_array3d_utils.h"
+
+#include "tnt_fortran_array1d.h"
+#include "tnt_fortran_array2d.h"
+#include "tnt_fortran_array3d.h"
+#include "tnt_fortran_array1d_utils.h"
+#include "tnt_fortran_array2d_utils.h"
+#include "tnt_fortran_array3d_utils.h"
+
+#include "tnt_sparse_matrix_csr.h"
+
+#include "tnt_stopwatch.h"
+#include "tnt_subscript.h"
+#include "tnt_vec.h"
+#include "tnt_cmat.h"
+
+
+#endif
+// TNT_H
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array1d.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array1d.h
new file mode 100644
index 0000000..858df57
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array1d.h
@@ -0,0 +1,278 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_ARRAY1D_H
+#define TNT_ARRAY1D_H
+
+//#include <cstdlib>
+#include <iostream>
+
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+
+
+#include "tnt_i_refvec.h"
+
+namespace TNT
+{
+
+template <class T>
+class Array1D
+{
+
+ private:
+
+ /* ... */
+ i_refvec<T> v_;
+ int n_;
+ T* data_; /* this normally points to v_.begin(), but
+ * could also point to a portion (subvector)
+ * of v_.
+ */
+
+ void copy_(T* p, const T* q, int len) const;
+ void set_(T* begin, T* end, const T& val);
+
+
+ public:
+
+ typedef T value_type;
+
+
+ Array1D();
+ explicit Array1D(int n);
+ Array1D(int n, const T &a);
+ Array1D(int n, T *a);
+ inline Array1D(const Array1D &A);
+ inline operator T*();
+ inline operator const T*();
+ inline Array1D & operator=(const T &a);
+ inline Array1D & operator=(const Array1D &A);
+ inline Array1D & ref(const Array1D &A);
+ Array1D copy() const;
+ Array1D & inject(const Array1D & A);
+ inline T& operator[](int i);
+ inline const T& operator[](int i) const;
+ inline int dim1() const;
+ inline int dim() const;
+ ~Array1D();
+
+
+ /* ... extended interface ... */
+
+ inline int ref_count() const;
+ inline Array1D<T> subarray(int i0, int i1);
+
+};
+
+
+
+
+template <class T>
+Array1D<T>::Array1D() : v_(), n_(0), data_(0) {}
+
+template <class T>
+Array1D<T>::Array1D(const Array1D<T> &A) : v_(A.v_), n_(A.n_),
+ data_(A.data_)
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Array1D(const Array1D<T> &A) \n";
+#endif
+
+}
+
+
+template <class T>
+Array1D<T>::Array1D(int n) : v_(n), n_(n), data_(v_.begin())
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Array1D(int n) \n";
+#endif
+}
+
+template <class T>
+Array1D<T>::Array1D(int n, const T &val) : v_(n), n_(n), data_(v_.begin())
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Array1D(int n, const T& val) \n";
+#endif
+ set_(data_, data_+ n, val);
+
+}
+
+template <class T>
+Array1D<T>::Array1D(int n, T *a) : v_(a), n_(n) , data_(v_.begin())
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Array1D(int n, T* a) \n";
+#endif
+}
+
+template <class T>
+inline Array1D<T>::operator T*()
+{
+ return &(v_[0]);
+}
+
+
+template <class T>
+inline Array1D<T>::operator const T*()
+{
+ return &(v_[0]);
+}
+
+
+
+template <class T>
+inline T& Array1D<T>::operator[](int i)
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i>= 0);
+ assert(i < n_);
+#endif
+ return data_[i];
+}
+
+template <class T>
+inline const T& Array1D<T>::operator[](int i) const
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i>= 0);
+ assert(i < n_);
+#endif
+ return data_[i];
+}
+
+
+
+
+template <class T>
+Array1D<T> & Array1D<T>::operator=(const T &a)
+{
+ set_(data_, data_+n_, a);
+ return *this;
+}
+
+template <class T>
+Array1D<T> Array1D<T>::copy() const
+{
+ Array1D A( n_);
+ copy_(A.data_, data_, n_);
+
+ return A;
+}
+
+
+template <class T>
+Array1D<T> & Array1D<T>::inject(const Array1D &A)
+{
+ if (A.n_ == n_)
+ copy_(data_, A.data_, n_);
+
+ return *this;
+}
+
+
+
+
+
+template <class T>
+Array1D<T> & Array1D<T>::ref(const Array1D<T> &A)
+{
+ if (this != &A)
+ {
+ v_ = A.v_; /* operator= handles the reference counting. */
+ n_ = A.n_;
+ data_ = A.data_;
+
+ }
+ return *this;
+}
+
+template <class T>
+Array1D<T> & Array1D<T>::operator=(const Array1D<T> &A)
+{
+ return ref(A);
+}
+
+template <class T>
+inline int Array1D<T>::dim1() const { return n_; }
+
+template <class T>
+inline int Array1D<T>::dim() const { return n_; }
+
+template <class T>
+Array1D<T>::~Array1D() {}
+
+
+/* ............................ exented interface ......................*/
+
+template <class T>
+inline int Array1D<T>::ref_count() const
+{
+ return v_.ref_count();
+}
+
+template <class T>
+inline Array1D<T> Array1D<T>::subarray(int i0, int i1)
+{
+ if ((i0 > 0) && (i1 < n_) || (i0 <= i1))
+ {
+ Array1D<T> X(*this); /* create a new instance of this array. */
+ X.n_ = i1-i0+1;
+ X.data_ += i0;
+
+ return X;
+ }
+ else
+ {
+ return Array1D<T>();
+ }
+}
+
+
+/* private internal functions */
+
+
+template <class T>
+void Array1D<T>::set_(T* begin, T* end, const T& a)
+{
+ for (T* p=begin; p<end; p++)
+ *p = a;
+
+}
+
+template <class T>
+void Array1D<T>::copy_(T* p, const T* q, int len) const
+{
+ T *end = p + len;
+ while (p<end )
+ *p++ = *q++;
+
+}
+
+
+} /* namespace TNT */
+
+#endif
+/* TNT_ARRAY1D_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array1d_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array1d_utils.h
new file mode 100644
index 0000000..683e0e2
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array1d_utils.h
@@ -0,0 +1,230 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+#ifndef TNT_ARRAY1D_UTILS_H
+#define TNT_ARRAY1D_UTILS_H
+
+#include <cstdlib>
+#include <cassert>
+
+namespace TNT
+{
+
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Array1D<T> &A)
+{
+ int N=A.dim1();
+
+#ifdef TNT_DEBUG
+ s << "addr: " << (void *) &A[0] << "\n";
+#endif
+ s << N << "\n";
+ for (int j=0; j<N; j++)
+ {
+ s << A[j] << "\n";
+ }
+ s << "\n";
+
+ return s;
+}
+
+template <class T>
+std::istream& operator>>(std::istream &s, Array1D<T> &A)
+{
+ int N;
+ s >> N;
+
+ Array1D<T> B(N);
+ for (int i=0; i<N; i++)
+ s >> B[i];
+ A = B;
+ return s;
+}
+
+
+
+template <class T>
+Array1D<T> operator+(const Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Array1D<T>();
+
+ else
+ {
+ Array1D<T> C(n);
+
+ for (int i=0; i<n; i++)
+ {
+ C[i] = A[i] + B[i];
+ }
+ return C;
+ }
+}
+
+
+
+template <class T>
+Array1D<T> operator-(const Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Array1D<T>();
+
+ else
+ {
+ Array1D<T> C(n);
+
+ for (int i=0; i<n; i++)
+ {
+ C[i] = A[i] - B[i];
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Array1D<T> operator*(const Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Array1D<T>();
+
+ else
+ {
+ Array1D<T> C(n);
+
+ for (int i=0; i<n; i++)
+ {
+ C[i] = A[i] * B[i];
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Array1D<T> operator/(const Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Array1D<T>();
+
+ else
+ {
+ Array1D<T> C(n);
+
+ for (int i=0; i<n; i++)
+ {
+ C[i] = A[i] / B[i];
+ }
+ return C;
+ }
+}
+
+
+
+
+
+
+
+
+
+template <class T>
+Array1D<T>& operator+=(Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=0; i<n; i++)
+ {
+ A[i] += B[i];
+ }
+ }
+ return A;
+}
+
+
+
+
+template <class T>
+Array1D<T>& operator-=(Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=0; i<n; i++)
+ {
+ A[i] -= B[i];
+ }
+ }
+ return A;
+}
+
+
+
+template <class T>
+Array1D<T>& operator*=(Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=0; i<n; i++)
+ {
+ A[i] *= B[i];
+ }
+ }
+ return A;
+}
+
+
+
+
+template <class T>
+Array1D<T>& operator/=(Array1D<T> &A, const Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=0; i<n; i++)
+ {
+ A[i] /= B[i];
+ }
+ }
+ return A;
+}
+
+
+
+
+
+
+} // namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array2d.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array2d.h
new file mode 100644
index 0000000..c791575
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array2d.h
@@ -0,0 +1,315 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_ARRAY2D_H
+#define TNT_ARRAY2D_H
+
+#include <cstdlib>
+#include <iostream>
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+
+#include "tnt_array1d.h"
+
+namespace TNT
+{
+
+template <class T>
+class Array2D
+{
+
+
+ private:
+
+
+
+ Array1D<T> data_;
+ Array1D<T*> v_;
+ int m_;
+ int n_;
+
+ public:
+
+ typedef T value_type;
+ Array2D();
+ Array2D(int m, int n);
+ Array2D(int m, int n, T *a);
+ Array2D(int m, int n, const T &a);
+ inline Array2D(const Array2D &A);
+ inline operator T**();
+ inline operator const T**();
+ inline Array2D & operator=(const T &a);
+ inline Array2D & operator=(const Array2D &A);
+ inline Array2D & ref(const Array2D &A);
+ Array2D copy() const;
+ Array2D & inject(const Array2D & A);
+ inline T* operator[](int i);
+ inline const T* operator[](int i) const;
+ inline int dim1() const;
+ inline int dim2() const;
+ ~Array2D();
+
+ /* extended interface (not part of the standard) */
+
+
+ inline int ref_count();
+ inline int ref_count_data();
+ inline int ref_count_dim1();
+ Array2D subarray(int i0, int i1, int j0, int j1);
+
+};
+
+
+template <class T>
+Array2D<T>::Array2D() : data_(), v_(), m_(0), n_(0) {}
+
+template <class T>
+Array2D<T>::Array2D(const Array2D<T> &A) : data_(A.data_), v_(A.v_),
+ m_(A.m_), n_(A.n_) {}
+
+
+
+
+template <class T>
+Array2D<T>::Array2D(int m, int n) : data_(m*n), v_(m), m_(m), n_(n)
+{
+ if (m>0 && n>0)
+ {
+ T* p = &(data_[0]);
+ for (int i=0; i<m; i++)
+ {
+ v_[i] = p;
+ p += n;
+ }
+ }
+}
+
+
+
+template <class T>
+Array2D<T>::Array2D(int m, int n, const T &val) : data_(m*n), v_(m),
+ m_(m), n_(n)
+{
+ if (m>0 && n>0)
+ {
+ data_ = val;
+ T* p = &(data_[0]);
+ for (int i=0; i<m; i++)
+ {
+ v_[i] = p;
+ p += n;
+ }
+ }
+}
+
+template <class T>
+Array2D<T>::Array2D(int m, int n, T *a) : data_(m*n, a), v_(m), m_(m), n_(n)
+{
+ if (m>0 && n>0)
+ {
+ T* p = &(data_[0]);
+
+ for (int i=0; i<m; i++)
+ {
+ v_[i] = p;
+ p += n;
+ }
+ }
+}
+
+
+template <class T>
+inline T* Array2D<T>::operator[](int i)
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 0);
+ assert(i < m_);
+#endif
+
+return v_[i];
+
+}
+
+
+template <class T>
+inline const T* Array2D<T>::operator[](int i) const
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 0);
+ assert(i < m_);
+#endif
+
+return v_[i];
+
+}
+
+template <class T>
+Array2D<T> & Array2D<T>::operator=(const T &a)
+{
+ /* non-optimzied, but will work with subarrays in future verions */
+
+ for (int i=0; i<m_; i++)
+ for (int j=0; j<n_; j++)
+ v_[i][j] = a;
+ return *this;
+}
+
+
+
+
+template <class T>
+Array2D<T> Array2D<T>::copy() const
+{
+ Array2D A(m_, n_);
+
+ for (int i=0; i<m_; i++)
+ for (int j=0; j<n_; j++)
+ A[i][j] = v_[i][j];
+
+
+ return A;
+}
+
+
+template <class T>
+Array2D<T> & Array2D<T>::inject(const Array2D &A)
+{
+ if (A.m_ == m_ && A.n_ == n_)
+ {
+ for (int i=0; i<m_; i++)
+ for (int j=0; j<n_; j++)
+ v_[i][j] = A[i][j];
+ }
+ return *this;
+}
+
+
+
+
+template <class T>
+Array2D<T> & Array2D<T>::ref(const Array2D<T> &A)
+{
+ if (this != &A)
+ {
+ v_ = A.v_;
+ data_ = A.data_;
+ m_ = A.m_;
+ n_ = A.n_;
+
+ }
+ return *this;
+}
+
+
+
+template <class T>
+Array2D<T> & Array2D<T>::operator=(const Array2D<T> &A)
+{
+ return ref(A);
+}
+
+template <class T>
+inline int Array2D<T>::dim1() const { return m_; }
+
+template <class T>
+inline int Array2D<T>::dim2() const { return n_; }
+
+
+template <class T>
+Array2D<T>::~Array2D() {}
+
+
+
+
+template <class T>
+inline Array2D<T>::operator T**()
+{
+ return &(v_[0]);
+}
+template <class T>
+inline Array2D<T>::operator const T**()
+{
+ return &(v_[0]);
+}
+
+/* ............... extended interface ............... */
+/**
+ Create a new view to a subarray defined by the boundaries
+ [i0][i0] and [i1][j1]. The size of the subarray is
+ (i1-i0) by (j1-j0). If either of these lengths are zero
+ or negative, the subarray view is null.
+
+*/
+template <class T>
+Array2D<T> Array2D<T>::subarray(int i0, int i1, int j0, int j1)
+{
+ Array2D<T> A;
+ int m = i1-i0+1;
+ int n = j1-j0+1;
+
+ /* if either length is zero or negative, this is an invalide
+ subarray. return a null view.
+ */
+ if (m<1 || n<1)
+ return A;
+
+ A.data_ = data_;
+ A.m_ = m;
+ A.n_ = n;
+ A.v_ = Array1D<T*>(m);
+ T* p = &(data_[0]) + i0 * n_ + j0;
+ for (int i=0; i<m; i++)
+ {
+ A.v_[i] = p + i*n_;
+
+ }
+ return A;
+}
+
+template <class T>
+inline int Array2D<T>::ref_count()
+{
+ return ref_count_data();
+}
+
+
+
+template <class T>
+inline int Array2D<T>::ref_count_data()
+{
+ return data_.ref_count();
+}
+
+template <class T>
+inline int Array2D<T>::ref_count_dim1()
+{
+ return v_.ref_count();
+}
+
+
+
+
+} /* namespace TNT */
+
+#endif
+/* TNT_ARRAY2D_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array2d_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array2d_utils.h
new file mode 100644
index 0000000..7041ed3
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array2d_utils.h
@@ -0,0 +1,287 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+#ifndef TNT_ARRAY2D_UTILS_H
+#define TNT_ARRAY2D_UTILS_H
+
+#include <cstdlib>
+#include <cassert>
+
+namespace TNT
+{
+
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Array2D<T> &A)
+{
+ int M=A.dim1();
+ int N=A.dim2();
+
+ s << M << " " << N << "\n";
+
+ for (int i=0; i<M; i++)
+ {
+ for (int j=0; j<N; j++)
+ {
+ s << A[i][j] << " ";
+ }
+ s << "\n";
+ }
+
+
+ return s;
+}
+
+template <class T>
+std::istream& operator>>(std::istream &s, Array2D<T> &A)
+{
+
+ int M, N;
+
+ s >> M >> N;
+
+ Array2D<T> B(M,N);
+
+ for (int i=0; i<M; i++)
+ for (int j=0; j<N; j++)
+ {
+ s >> B[i][j];
+ }
+
+ A = B;
+ return s;
+}
+
+
+template <class T>
+Array2D<T> operator+(const Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Array2D<T>();
+
+ else
+ {
+ Array2D<T> C(m,n);
+
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ C[i][j] = A[i][j] + B[i][j];
+ }
+ return C;
+ }
+}
+
+template <class T>
+Array2D<T> operator-(const Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Array2D<T>();
+
+ else
+ {
+ Array2D<T> C(m,n);
+
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ C[i][j] = A[i][j] - B[i][j];
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Array2D<T> operator*(const Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Array2D<T>();
+
+ else
+ {
+ Array2D<T> C(m,n);
+
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ C[i][j] = A[i][j] * B[i][j];
+ }
+ return C;
+ }
+}
+
+
+
+
+template <class T>
+Array2D<T> operator/(const Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Array2D<T>();
+
+ else
+ {
+ Array2D<T> C(m,n);
+
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ C[i][j] = A[i][j] / B[i][j];
+ }
+ return C;
+ }
+}
+
+
+
+
+
+template <class T>
+Array2D<T>& operator+=(Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ A[i][j] += B[i][j];
+ }
+ }
+ return A;
+}
+
+
+
+template <class T>
+Array2D<T>& operator-=(Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ A[i][j] -= B[i][j];
+ }
+ }
+ return A;
+}
+
+
+
+template <class T>
+Array2D<T>& operator*=(Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ A[i][j] *= B[i][j];
+ }
+ }
+ return A;
+}
+
+
+
+
+
+template <class T>
+Array2D<T>& operator/=(Array2D<T> &A, const Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=0; i<m; i++)
+ {
+ for (int j=0; j<n; j++)
+ A[i][j] /= B[i][j];
+ }
+ }
+ return A;
+}
+
+/**
+ Matrix Multiply: compute C = A*B, where C[i][j]
+ is the dot-product of row i of A and column j of B.
+
+
+ @param A an (m x n) array
+ @param B an (n x k) array
+ @return the (m x k) array A*B, or a null array (0x0)
+ if the matrices are non-conformant (i.e. the number
+ of columns of A are different than the number of rows of B.)
+
+
+*/
+template <class T>
+Array2D<T> matmult(const Array2D<T> &A, const Array2D<T> &B)
+{
+ if (A.dim2() != B.dim1())
+ return Array2D<T>();
+
+ int M = A.dim1();
+ int N = A.dim2();
+ int K = B.dim2();
+
+ Array2D<T> C(M,K);
+
+ for (int i=0; i<M; i++)
+ for (int j=0; j<K; j++)
+ {
+ T sum = 0;
+
+ for (int k=0; k<N; k++)
+ sum += A[i][k] * B [k][j];
+
+ C[i][j] = sum;
+ }
+
+ return C;
+
+}
+
+} // namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array3d.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array3d.h
new file mode 100644
index 0000000..c210d2e
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array3d.h
@@ -0,0 +1,296 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_ARRAY3D_H
+#define TNT_ARRAY3D_H
+
+#include <cstdlib>
+#include <iostream>
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+
+#include "tnt_array1d.h"
+#include "tnt_array2d.h"
+
+namespace TNT
+{
+
+template <class T>
+class Array3D
+{
+
+
+ private:
+ Array1D<T> data_;
+ Array2D<T*> v_;
+ int m_;
+ int n_;
+ int g_;
+
+
+ public:
+
+ typedef T value_type;
+
+ Array3D();
+ Array3D(int m, int n, int g);
+ Array3D(int m, int n, int g, T val);
+ Array3D(int m, int n, int g, T *a);
+
+ inline operator T***();
+ inline operator const T***();
+ inline Array3D(const Array3D &A);
+ inline Array3D & operator=(const T &a);
+ inline Array3D & operator=(const Array3D &A);
+ inline Array3D & ref(const Array3D &A);
+ Array3D copy() const;
+ Array3D & inject(const Array3D & A);
+
+ inline T** operator[](int i);
+ inline const T* const * operator[](int i) const;
+ inline int dim1() const;
+ inline int dim2() const;
+ inline int dim3() const;
+ ~Array3D();
+
+ /* extended interface */
+
+ inline int ref_count(){ return data_.ref_count(); }
+ Array3D subarray(int i0, int i1, int j0, int j1,
+ int k0, int k1);
+};
+
+template <class T>
+Array3D<T>::Array3D() : data_(), v_(), m_(0), n_(0) {}
+
+template <class T>
+Array3D<T>::Array3D(const Array3D<T> &A) : data_(A.data_),
+ v_(A.v_), m_(A.m_), n_(A.n_), g_(A.g_)
+{
+}
+
+
+
+template <class T>
+Array3D<T>::Array3D(int m, int n, int g) : data_(m*n*g), v_(m,n),
+ m_(m), n_(n), g_(g)
+{
+
+ if (m>0 && n>0 && g>0)
+ {
+ T* p = & (data_[0]);
+ int ng = n_*g_;
+
+ for (int i=0; i<m_; i++)
+ {
+ T* ping = p+ i*ng;
+ for (int j=0; j<n; j++)
+ v_[i][j] = ping + j*g_;
+ }
+ }
+}
+
+
+
+template <class T>
+Array3D<T>::Array3D(int m, int n, int g, T val) : data_(m*n*g, val),
+ v_(m,n), m_(m), n_(n), g_(g)
+{
+ if (m>0 && n>0 && g>0)
+ {
+
+ T* p = & (data_[0]);
+ int ng = n_*g_;
+
+ for (int i=0; i<m_; i++)
+ {
+ T* ping = p+ i*ng;
+ for (int j=0; j<n; j++)
+ v_[i][j] = ping + j*g_;
+ }
+ }
+}
+
+
+
+template <class T>
+Array3D<T>::Array3D(int m, int n, int g, T* a) :
+ data_(m*n*g, a), v_(m,n), m_(m), n_(n), g_(g)
+{
+
+ if (m>0 && n>0 && g>0)
+ {
+ T* p = & (data_[0]);
+ int ng = n_*g_;
+
+ for (int i=0; i<m_; i++)
+ {
+ T* ping = p+ i*ng;
+ for (int j=0; j<n; j++)
+ v_[i][j] = ping + j*g_;
+ }
+ }
+}
+
+
+
+template <class T>
+inline T** Array3D<T>::operator[](int i)
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 0);
+ assert(i < m_);
+#endif
+
+return v_[i];
+
+}
+
+template <class T>
+inline const T* const * Array3D<T>::operator[](int i) const
+{ return v_[i]; }
+
+template <class T>
+Array3D<T> & Array3D<T>::operator=(const T &a)
+{
+ for (int i=0; i<m_; i++)
+ for (int j=0; j<n_; j++)
+ for (int k=0; k<g_; k++)
+ v_[i][j][k] = a;
+
+ return *this;
+}
+
+template <class T>
+Array3D<T> Array3D<T>::copy() const
+{
+ Array3D A(m_, n_, g_);
+ for (int i=0; i<m_; i++)
+ for (int j=0; j<n_; j++)
+ for (int k=0; k<g_; k++)
+ A.v_[i][j][k] = v_[i][j][k];
+
+ return A;
+}
+
+
+template <class T>
+Array3D<T> & Array3D<T>::inject(const Array3D &A)
+{
+ if (A.m_ == m_ && A.n_ == n_ && A.g_ == g_)
+
+ for (int i=0; i<m_; i++)
+ for (int j=0; j<n_; j++)
+ for (int k=0; k<g_; k++)
+ v_[i][j][k] = A.v_[i][j][k];
+
+ return *this;
+}
+
+
+
+template <class T>
+Array3D<T> & Array3D<T>::ref(const Array3D<T> &A)
+{
+ if (this != &A)
+ {
+ m_ = A.m_;
+ n_ = A.n_;
+ g_ = A.g_;
+ v_ = A.v_;
+ data_ = A.data_;
+ }
+ return *this;
+}
+
+template <class T>
+Array3D<T> & Array3D<T>::operator=(const Array3D<T> &A)
+{
+ return ref(A);
+}
+
+
+template <class T>
+inline int Array3D<T>::dim1() const { return m_; }
+
+template <class T>
+inline int Array3D<T>::dim2() const { return n_; }
+
+template <class T>
+inline int Array3D<T>::dim3() const { return g_; }
+
+
+
+template <class T>
+Array3D<T>::~Array3D() {}
+
+template <class T>
+inline Array3D<T>::operator T***()
+{
+ return v_;
+}
+
+
+template <class T>
+inline Array3D<T>::operator const T***()
+{
+ return v_;
+}
+
+/* extended interface */
+template <class T>
+Array3D<T> Array3D<T>::subarray(int i0, int i1, int j0,
+ int j1, int k0, int k1)
+{
+
+ /* check that ranges are valid. */
+ if (!( 0 <= i0 && i0 <= i1 && i1 < m_ &&
+ 0 <= j0 && j0 <= j1 && j1 < n_ &&
+ 0 <= k0 && k0 <= k1 && k1 < g_))
+ return Array3D<T>(); /* null array */
+
+
+ Array3D<T> A;
+ A.data_ = data_;
+ A.m_ = i1-i0+1;
+ A.n_ = j1-j0+1;
+ A.g_ = k1-k0+1;
+ A.v_ = Array2D<T*>(A.m_,A.n_);
+ T* p = &(data_[0]) + i0*n_*g_ + j0*g_ + k0;
+
+ for (int i=0; i<A.m_; i++)
+ {
+ T* ping = p + i*n_*g_;
+ for (int j=0; j<A.n_; j++)
+ A.v_[i][j] = ping + j*g_ ;
+ }
+
+ return A;
+}
+
+
+
+} /* namespace TNT */
+
+#endif
+/* TNT_ARRAY3D_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array3d_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array3d_utils.h
new file mode 100644
index 0000000..5acdc1d
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_array3d_utils.h
@@ -0,0 +1,236 @@
+
+
+#ifndef TNT_ARRAY3D_UTILS_H
+#define TNT_ARRAY3D_UTILS_H
+
+#include <cstdlib>
+#include <cassert>
+
+namespace TNT
+{
+
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Array3D<T> &A)
+{
+ int M=A.dim1();
+ int N=A.dim2();
+ int K=A.dim3();
+
+ s << M << " " << N << " " << K << "\n";
+
+ for (int i=0; i<M; i++)
+ {
+ for (int j=0; j<N; j++)
+ {
+ for (int k=0; k<K; k++)
+ s << A[i][j][k] << " ";
+ s << "\n";
+ }
+ s << "\n";
+ }
+
+
+ return s;
+}
+
+template <class T>
+std::istream& operator>>(std::istream &s, Array3D<T> &A)
+{
+
+ int M, N, K;
+
+ s >> M >> N >> K;
+
+ Array3D<T> B(M,N,K);
+
+ for (int i=0; i<M; i++)
+ for (int j=0; j<N; j++)
+ for (int k=0; k<K; k++)
+ s >> B[i][j][k];
+
+ A = B;
+ return s;
+}
+
+
+
+template <class T>
+Array3D<T> operator+(const Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Array3D<T>();
+
+ else
+ {
+ Array3D<T> C(m,n,p);
+
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ C[i][j][k] = A[i][j][k] + B[i][j][k];
+
+ return C;
+ }
+}
+
+
+template <class T>
+Array3D<T> operator-(const Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Array3D<T>();
+
+ else
+ {
+ Array3D<T> C(m,n,p);
+
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ C[i][j][k] = A[i][j][k] - B[i][j][k];
+
+ return C;
+ }
+}
+
+
+
+
+template <class T>
+Array3D<T> operator*(const Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Array3D<T>();
+
+ else
+ {
+ Array3D<T> C(m,n,p);
+
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ C[i][j][k] = A[i][j][k] * B[i][j][k];
+
+ return C;
+ }
+}
+
+
+template <class T>
+Array3D<T> operator/(const Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Array3D<T>();
+
+ else
+ {
+ Array3D<T> C(m,n,p);
+
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ C[i][j][k] = A[i][j][k] / B[i][j][k];
+
+ return C;
+ }
+}
+
+
+
+template <class T>
+Array3D<T>& operator+=(Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ A[i][j][k] += B[i][j][k];
+ }
+
+ return A;
+}
+
+template <class T>
+Array3D<T>& operator-=(Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ A[i][j][k] -= B[i][j][k];
+ }
+
+ return A;
+}
+
+template <class T>
+Array3D<T>& operator*=(Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ A[i][j][k] *= B[i][j][k];
+ }
+
+ return A;
+}
+
+
+template <class T>
+Array3D<T>& operator/=(Array3D<T> &A, const Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=0; i<m; i++)
+ for (int j=0; j<n; j++)
+ for (int k=0; k<p; k++)
+ A[i][j][k] /= B[i][j][k];
+ }
+
+ return A;
+}
+
+
+
+
+
+} // namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_cmat.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_cmat.h
new file mode 100644
index 0000000..5ff4c48
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_cmat.h
@@ -0,0 +1,580 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+// C compatible matrix: row-oriented, 0-based [i][j] and 1-based (i,j) indexing
+//
+
+#ifndef TNT_CMAT_H
+#define TNT_CMAT_H
+
+#include "tnt_subscript.h"
+#include "tnt_vec.h"
+#include <cstdlib>
+#include <cassert>
+#include <iostream>
+#include <sstream>
+
+namespace TNT
+{
+
+
+template <class T>
+class Matrix
+{
+
+
+ public:
+
+ typedef Subscript size_type;
+ typedef T value_type;
+ typedef T element_type;
+ typedef T* pointer;
+ typedef T* iterator;
+ typedef T& reference;
+ typedef const T* const_iterator;
+ typedef const T& const_reference;
+
+ Subscript lbound() const { return 1;}
+
+ protected:
+ Subscript m_;
+ Subscript n_;
+ Subscript mn_; // total size
+ T* v_;
+ T** row_;
+ T* vm1_ ; // these point to the same data, but are 1-based
+ T** rowm1_;
+
+ // internal helper function to create the array
+ // of row pointers
+
+ void initialize(Subscript M, Subscript N)
+ {
+ mn_ = M*N;
+ m_ = M;
+ n_ = N;
+
+ v_ = new T[mn_];
+ row_ = new T*[M];
+ rowm1_ = new T*[M];
+
+ assert(v_ != NULL);
+ assert(row_ != NULL);
+ assert(rowm1_ != NULL);
+
+ T* p = v_;
+ vm1_ = v_ - 1;
+ for (Subscript i=0; i<M; i++)
+ {
+ row_[i] = p;
+ rowm1_[i] = p-1;
+ p += N ;
+
+ }
+
+ rowm1_ -- ; // compensate for 1-based offset
+ }
+
+ void copy(const T* v)
+ {
+ Subscript N = m_ * n_;
+ Subscript i;
+
+#ifdef TNT_UNROLL_LOOPS
+ Subscript Nmod4 = N & 3;
+ Subscript N4 = N - Nmod4;
+
+ for (i=0; i<N4; i+=4)
+ {
+ v_[i] = v[i];
+ v_[i+1] = v[i+1];
+ v_[i+2] = v[i+2];
+ v_[i+3] = v[i+3];
+ }
+
+ for (i=N4; i< N; i++)
+ v_[i] = v[i];
+#else
+
+ for (i=0; i< N; i++)
+ v_[i] = v[i];
+#endif
+ }
+
+ void set(const T& val)
+ {
+ Subscript N = m_ * n_;
+ Subscript i;
+
+#ifdef TNT_UNROLL_LOOPS
+ Subscript Nmod4 = N & 3;
+ Subscript N4 = N - Nmod4;
+
+ for (i=0; i<N4; i+=4)
+ {
+ v_[i] = val;
+ v_[i+1] = val;
+ v_[i+2] = val;
+ v_[i+3] = val;
+ }
+
+ for (i=N4; i< N; i++)
+ v_[i] = val;
+#else
+
+ for (i=0; i< N; i++)
+ v_[i] = val;
+
+#endif
+ }
+
+
+
+ void destroy()
+ {
+ /* do nothing, if no memory has been previously allocated */
+ if (v_ == NULL) return ;
+
+ /* if we are here, then matrix was previously allocated */
+ if (v_ != NULL) delete [] (v_);
+ if (row_ != NULL) delete [] (row_);
+
+ /* return rowm1_ back to original value */
+ rowm1_ ++;
+ if (rowm1_ != NULL ) delete [] (rowm1_);
+ }
+
+
+ public:
+
+ operator T**(){ return row_; }
+ operator T**() const { return row_; }
+
+
+ Subscript size() const { return mn_; }
+
+ // constructors
+
+ Matrix() : m_(0), n_(0), mn_(0), v_(0), row_(0), vm1_(0), rowm1_(0) {};
+
+ Matrix(const Matrix<T> &A)
+ {
+ initialize(A.m_, A.n_);
+ copy(A.v_);
+ }
+
+ Matrix(Subscript M, Subscript N, const T& value = T())
+ {
+ initialize(M,N);
+ set(value);
+ }
+
+ Matrix(Subscript M, Subscript N, const T* v)
+ {
+ initialize(M,N);
+ copy(v);
+ }
+
+ Matrix(Subscript M, Subscript N, const char *s)
+ {
+ initialize(M,N);
+ //std::istrstream ins(s);
+ std::istringstream ins(s);
+
+ Subscript i, j;
+
+ for (i=0; i<M; i++)
+ for (j=0; j<N; j++)
+ ins >> row_[i][j];
+ }
+
+ // destructor
+ //
+ ~Matrix()
+ {
+ destroy();
+ }
+
+
+ // reallocating
+ //
+ Matrix<T>& newsize(Subscript M, Subscript N)
+ {
+ if (num_rows() == M && num_cols() == N)
+ return *this;
+
+ destroy();
+ initialize(M,N);
+
+ return *this;
+ }
+
+
+
+
+ // assignments
+ //
+ Matrix<T>& operator=(const Matrix<T> &A)
+ {
+ if (v_ == A.v_)
+ return *this;
+
+ if (m_ == A.m_ && n_ == A.n_) // no need to re-alloc
+ copy(A.v_);
+
+ else
+ {
+ destroy();
+ initialize(A.m_, A.n_);
+ copy(A.v_);
+ }
+
+ return *this;
+ }
+
+ Matrix<T>& operator=(const T& scalar)
+ {
+ set(scalar);
+ return *this;
+ }
+
+
+ Subscript dim(Subscript d) const
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert( d >= 1);
+ assert( d <= 2);
+#endif
+ return (d==1) ? m_ : ((d==2) ? n_ : 0);
+ }
+
+ Subscript num_rows() const { return m_; }
+ Subscript num_cols() const { return n_; }
+
+
+
+
+ inline T* operator[](Subscript i)
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(0<=i);
+ assert(i < m_) ;
+#endif
+ return row_[i];
+ }
+
+ inline const T* operator[](Subscript i) const
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(0<=i);
+ assert(i < m_) ;
+#endif
+ return row_[i];
+ }
+
+ inline reference operator()(Subscript i)
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(1<=i);
+ assert(i <= mn_) ;
+#endif
+ return vm1_[i];
+ }
+
+ inline const_reference operator()(Subscript i) const
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(1<=i);
+ assert(i <= mn_) ;
+#endif
+ return vm1_[i];
+ }
+
+
+
+ inline reference operator()(Subscript i, Subscript j)
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(1<=i);
+ assert(i <= m_) ;
+ assert(1<=j);
+ assert(j <= n_);
+#endif
+ return rowm1_[i][j];
+ }
+
+
+
+ inline const_reference operator() (Subscript i, Subscript j) const
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(1<=i);
+ assert(i <= m_) ;
+ assert(1<=j);
+ assert(j <= n_);
+#endif
+ return rowm1_[i][j];
+ }
+
+
+
+
+};
+
+
+/* *************************** I/O ********************************/
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Matrix<T> &A)
+{
+ Subscript M=A.num_rows();
+ Subscript N=A.num_cols();
+
+ s << M << " " << N << "\n";
+
+ for (Subscript i=0; i<M; i++)
+ {
+ for (Subscript j=0; j<N; j++)
+ {
+ s << A[i][j] << " ";
+ }
+ s << "\n";
+ }
+
+
+ return s;
+}
+
+template <class T>
+std::istream& operator>>(std::istream &s, Matrix<T> &A)
+{
+
+ Subscript M, N;
+
+ s >> M >> N;
+
+ if ( !(M == A.num_rows() && N == A.num_cols() ))
+ {
+ A.newsize(M,N);
+ }
+
+
+ for (Subscript i=0; i<M; i++)
+ for (Subscript j=0; j<N; j++)
+ {
+ s >> A[i][j];
+ }
+
+
+ return s;
+}
+
+// *******************[ basic matrix algorithms ]***************************
+
+
+template <class T>
+Matrix<T> operator+(const Matrix<T> &A,
+ const Matrix<T> &B)
+{
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+
+ assert(M==B.num_rows());
+ assert(N==B.num_cols());
+
+ Matrix<T> tmp(M,N);
+ Subscript i,j;
+
+ for (i=0; i<M; i++)
+ for (j=0; j<N; j++)
+ tmp[i][j] = A[i][j] + B[i][j];
+
+ return tmp;
+}
+
+template <class T>
+Matrix<T> operator-(const Matrix<T> &A,
+ const Matrix<T> &B)
+{
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+
+ assert(M==B.num_rows());
+ assert(N==B.num_cols());
+
+ Matrix<T> tmp(M,N);
+ Subscript i,j;
+
+ for (i=0; i<M; i++)
+ for (j=0; j<N; j++)
+ tmp[i][j] = A[i][j] - B[i][j];
+
+ return tmp;
+}
+
+template <class T>
+Matrix<T> mult_element(const Matrix<T> &A,
+ const Matrix<T> &B)
+{
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+
+ assert(M==B.num_rows());
+ assert(N==B.num_cols());
+
+ Matrix<T> tmp(M,N);
+ Subscript i,j;
+
+ for (i=0; i<M; i++)
+ for (j=0; j<N; j++)
+ tmp[i][j] = A[i][j] * B[i][j];
+
+ return tmp;
+}
+
+
+template <class T>
+Matrix<T> transpose(const Matrix<T> &A)
+{
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+
+ Matrix<T> S(N,M);
+ Subscript i, j;
+
+ for (i=0; i<M; i++)
+ for (j=0; j<N; j++)
+ S[j][i] = A[i][j];
+
+ return S;
+}
+
+
+
+template <class T>
+inline Matrix<T> matmult(const Matrix<T> &A,
+ const Matrix<T> &B)
+{
+
+#ifdef TNT_BOUNDS_CHECK
+ assert(A.num_cols() == B.num_rows());
+#endif
+
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+ Subscript K = B.num_cols();
+
+ Matrix<T> tmp(M,K);
+ T sum;
+
+ for (Subscript i=0; i<M; i++)
+ for (Subscript k=0; k<K; k++)
+ {
+ sum = 0;
+ for (Subscript j=0; j<N; j++)
+ sum = sum + A[i][j] * B[j][k];
+
+ tmp[i][k] = sum;
+ }
+
+ return tmp;
+}
+
+template <class T>
+inline Matrix<T> operator*(const Matrix<T> &A,
+ const Matrix<T> &B)
+{
+ return matmult(A,B);
+}
+
+template <class T>
+inline int matmult(Matrix<T>& C, const Matrix<T> &A,
+ const Matrix<T> &B)
+{
+
+ assert(A.num_cols() == B.num_rows());
+
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+ Subscript K = B.num_cols();
+
+ C.newsize(M,K);
+
+ T sum;
+
+ const T* row_i;
+ const T* col_k;
+
+ for (Subscript i=0; i<M; i++)
+ for (Subscript k=0; k<K; k++)
+ {
+ row_i = &(A[i][0]);
+ col_k = &(B[0][k]);
+ sum = 0;
+ for (Subscript j=0; j<N; j++)
+ {
+ sum += *row_i * *col_k;
+ row_i++;
+ col_k += K;
+ }
+ C[i][k] = sum;
+ }
+
+ return 0;
+}
+
+
+template <class T>
+Vector<T> matmult(const Matrix<T> &A, const Vector<T> &x)
+{
+
+#ifdef TNT_BOUNDS_CHECK
+ assert(A.num_cols() == x.dim());
+#endif
+
+ Subscript M = A.num_rows();
+ Subscript N = A.num_cols();
+
+ Vector<T> tmp(M);
+ T sum;
+
+ for (Subscript i=0; i<M; i++)
+ {
+ sum = 0;
+ const T* rowi = A[i];
+ for (Subscript j=0; j<N; j++)
+ sum = sum + rowi[j] * x[j];
+
+ tmp[i] = sum;
+ }
+
+ return tmp;
+}
+
+template <class T>
+inline Vector<T> operator*(const Matrix<T> &A, const Vector<T> &x)
+{
+ return matmult(A,x);
+}
+
+} // namespace TNT
+
+#endif
+// CMAT_H
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array1d.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array1d.h
new file mode 100644
index 0000000..ad3bba0
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array1d.h
@@ -0,0 +1,267 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_FORTRAN_ARRAY1D_H
+#define TNT_FORTRAN_ARRAY1D_H
+
+#include <cstdlib>
+#include <iostream>
+
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+
+
+#include "tnt_i_refvec.h"
+
+namespace TNT
+{
+
+template <class T>
+class Fortran_Array1D
+{
+
+ private:
+
+ i_refvec<T> v_;
+ int n_;
+ T* data_; /* this normally points to v_.begin(), but
+ * could also point to a portion (subvector)
+ * of v_.
+ */
+
+ void initialize_(int n);
+ void copy_(T* p, const T* q, int len) const;
+ void set_(T* begin, T* end, const T& val);
+
+
+ public:
+
+ typedef T value_type;
+
+
+ Fortran_Array1D();
+ explicit Fortran_Array1D(int n);
+ Fortran_Array1D(int n, const T &a);
+ Fortran_Array1D(int n, T *a);
+ inline Fortran_Array1D(const Fortran_Array1D &A);
+ inline Fortran_Array1D & operator=(const T &a);
+ inline Fortran_Array1D & operator=(const Fortran_Array1D &A);
+ inline Fortran_Array1D & ref(const Fortran_Array1D &A);
+ Fortran_Array1D copy() const;
+ Fortran_Array1D & inject(const Fortran_Array1D & A);
+ inline T& operator()(int i);
+ inline const T& operator()(int i) const;
+ inline int dim1() const;
+ inline int dim() const;
+ ~Fortran_Array1D();
+
+
+ /* ... extended interface ... */
+
+ inline int ref_count() const;
+ inline Fortran_Array1D<T> subarray(int i0, int i1);
+
+};
+
+
+
+
+template <class T>
+Fortran_Array1D<T>::Fortran_Array1D() : v_(), n_(0), data_(0) {}
+
+template <class T>
+Fortran_Array1D<T>::Fortran_Array1D(const Fortran_Array1D<T> &A) : v_(A.v_), n_(A.n_),
+ data_(A.data_)
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Fortran_Array1D(const Fortran_Array1D<T> &A) \n";
+#endif
+
+}
+
+
+template <class T>
+Fortran_Array1D<T>::Fortran_Array1D(int n) : v_(n), n_(n), data_(v_.begin())
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Fortran_Array1D(int n) \n";
+#endif
+}
+
+template <class T>
+Fortran_Array1D<T>::Fortran_Array1D(int n, const T &val) : v_(n), n_(n), data_(v_.begin())
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Fortran_Array1D(int n, const T& val) \n";
+#endif
+ set_(data_, data_+ n, val);
+
+}
+
+template <class T>
+Fortran_Array1D<T>::Fortran_Array1D(int n, T *a) : v_(a), n_(n) , data_(v_.begin())
+{
+#ifdef TNT_DEBUG
+ std::cout << "Created Fortran_Array1D(int n, T* a) \n";
+#endif
+}
+
+template <class T>
+inline T& Fortran_Array1D<T>::operator()(int i)
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i>= 1);
+ assert(i <= n_);
+#endif
+ return data_[i-1];
+}
+
+template <class T>
+inline const T& Fortran_Array1D<T>::operator()(int i) const
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i>= 1);
+ assert(i <= n_);
+#endif
+ return data_[i-1];
+}
+
+
+
+
+template <class T>
+Fortran_Array1D<T> & Fortran_Array1D<T>::operator=(const T &a)
+{
+ set_(data_, data_+n_, a);
+ return *this;
+}
+
+template <class T>
+Fortran_Array1D<T> Fortran_Array1D<T>::copy() const
+{
+ Fortran_Array1D A( n_);
+ copy_(A.data_, data_, n_);
+
+ return A;
+}
+
+
+template <class T>
+Fortran_Array1D<T> & Fortran_Array1D<T>::inject(const Fortran_Array1D &A)
+{
+ if (A.n_ == n_)
+ copy_(data_, A.data_, n_);
+
+ return *this;
+}
+
+
+
+
+
+template <class T>
+Fortran_Array1D<T> & Fortran_Array1D<T>::ref(const Fortran_Array1D<T> &A)
+{
+ if (this != &A)
+ {
+ v_ = A.v_; /* operator= handles the reference counting. */
+ n_ = A.n_;
+ data_ = A.data_;
+
+ }
+ return *this;
+}
+
+template <class T>
+Fortran_Array1D<T> & Fortran_Array1D<T>::operator=(const Fortran_Array1D<T> &A)
+{
+ return ref(A);
+}
+
+template <class T>
+inline int Fortran_Array1D<T>::dim1() const { return n_; }
+
+template <class T>
+inline int Fortran_Array1D<T>::dim() const { return n_; }
+
+template <class T>
+Fortran_Array1D<T>::~Fortran_Array1D() {}
+
+
+/* ............................ exented interface ......................*/
+
+template <class T>
+inline int Fortran_Array1D<T>::ref_count() const
+{
+ return v_.ref_count();
+}
+
+template <class T>
+inline Fortran_Array1D<T> Fortran_Array1D<T>::subarray(int i0, int i1)
+{
+#ifdef TNT_DEBUG
+ std::cout << "entered subarray. \n";
+#endif
+ if ((i0 > 0) && (i1 < n_) || (i0 <= i1))
+ {
+ Fortran_Array1D<T> X(*this); /* create a new instance of this array. */
+ X.n_ = i1-i0+1;
+ X.data_ += i0;
+
+ return X;
+ }
+ else
+ {
+#ifdef TNT_DEBUG
+ std::cout << "subarray: null return.\n";
+#endif
+ return Fortran_Array1D<T>();
+ }
+}
+
+
+/* private internal functions */
+
+
+template <class T>
+void Fortran_Array1D<T>::set_(T* begin, T* end, const T& a)
+{
+ for (T* p=begin; p<end; p++)
+ *p = a;
+
+}
+
+template <class T>
+void Fortran_Array1D<T>::copy_(T* p, const T* q, int len) const
+{
+ T *end = p + len;
+ while (p<end )
+ *p++ = *q++;
+
+}
+
+
+} /* namespace TNT */
+
+#endif
+/* TNT_FORTRAN_ARRAY1D_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array1d_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array1d_utils.h
new file mode 100644
index 0000000..b037b17
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array1d_utils.h
@@ -0,0 +1,242 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+#ifndef TNT_FORTRAN_ARRAY1D_UTILS_H
+#define TNT_FORTRAN_ARRAY1D_UTILS_H
+
+#include <iostream>
+
+namespace TNT
+{
+
+
+/**
+ Write an array to a character outstream. Output format is one that can
+ be read back in via the in-stream operator: one integer
+ denoting the array dimension (n), followed by n elements,
+ one per line.
+
+*/
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Fortran_Array1D<T> &A)
+{
+ int N=A.dim1();
+
+ s << N << "\n";
+ for (int j=1; j<=N; j++)
+ {
+ s << A(j) << "\n";
+ }
+ s << "\n";
+
+ return s;
+}
+
+/**
+ Read an array from a character stream. Input format
+ is one integer, denoting the dimension (n), followed
+ by n whitespace-separated elments. Newlines are ignored
+
+ <p>
+ Note: the array being read into references new memory
+ storage. If the intent is to fill an existing conformant
+ array, use <code> cin >> B; A.inject(B) ); </code>
+ instead or read the elements in one-a-time by hand.
+
+ @param s the charater to read from (typically <code>std::in</code>)
+ @param A the array to read into.
+*/
+template <class T>
+std::istream& operator>>(std::istream &s, Fortran_Array1D<T> &A)
+{
+ int N;
+ s >> N;
+
+ Fortran_Array1D<T> B(N);
+ for (int i=1; i<=N; i++)
+ s >> B(i);
+ A = B;
+ return s;
+}
+
+
+template <class T>
+Fortran_Array1D<T> operator+(const Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Fortran_Array1D<T>();
+
+ else
+ {
+ Fortran_Array1D<T> C(n);
+
+ for (int i=1; i<=n; i++)
+ {
+ C(i) = A(i) + B(i);
+ }
+ return C;
+ }
+}
+
+
+
+template <class T>
+Fortran_Array1D<T> operator-(const Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Fortran_Array1D<T>();
+
+ else
+ {
+ Fortran_Array1D<T> C(n);
+
+ for (int i=1; i<=n; i++)
+ {
+ C(i) = A(i) - B(i);
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array1D<T> operator*(const Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Fortran_Array1D<T>();
+
+ else
+ {
+ Fortran_Array1D<T> C(n);
+
+ for (int i=1; i<=n; i++)
+ {
+ C(i) = A(i) * B(i);
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array1D<T> operator/(const Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() != n )
+ return Fortran_Array1D<T>();
+
+ else
+ {
+ Fortran_Array1D<T> C(n);
+
+ for (int i=1; i<=n; i++)
+ {
+ C(i) = A(i) / B(i);
+ }
+ return C;
+ }
+}
+
+
+
+
+
+
+
+
+
+template <class T>
+Fortran_Array1D<T>& operator+=(Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=1; i<=n; i++)
+ {
+ A(i) += B(i);
+ }
+ }
+ return A;
+}
+
+
+
+
+template <class T>
+Fortran_Array1D<T>& operator-=(Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=1; i<=n; i++)
+ {
+ A(i) -= B(i);
+ }
+ }
+ return A;
+}
+
+
+
+template <class T>
+Fortran_Array1D<T>& operator*=(Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=1; i<=n; i++)
+ {
+ A(i) *= B(i);
+ }
+ }
+ return A;
+}
+
+
+
+
+template <class T>
+Fortran_Array1D<T>& operator/=(Fortran_Array1D<T> &A, const Fortran_Array1D<T> &B)
+{
+ int n = A.dim1();
+
+ if (B.dim1() == n)
+ {
+ for (int i=1; i<=n; i++)
+ {
+ A(i) /= B(i);
+ }
+ }
+ return A;
+}
+
+
+} // namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array2d.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array2d.h
new file mode 100644
index 0000000..f307536
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array2d.h
@@ -0,0 +1,225 @@
+/*
+*
+* Template Numerical Toolkit (TNT): Two-dimensional Fortran numerical array
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_FORTRAN_ARRAY2D_H
+#define TNT_FORTRAN_ARRAY2D_H
+
+#include <cstdlib>
+#include <iostream>
+
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+
+#include "tnt_i_refvec.h"
+
+namespace TNT
+{
+
+template <class T>
+class Fortran_Array2D
+{
+
+
+ private:
+ i_refvec<T> v_;
+ int m_;
+ int n_;
+ T* data_;
+
+
+ void initialize_(int n);
+ void copy_(T* p, const T* q, int len);
+ void set_(T* begin, T* end, const T& val);
+
+ public:
+
+ typedef T value_type;
+
+ Fortran_Array2D();
+ Fortran_Array2D(int m, int n);
+ Fortran_Array2D(int m, int n, T *a);
+ Fortran_Array2D(int m, int n, const T &a);
+ inline Fortran_Array2D(const Fortran_Array2D &A);
+ inline Fortran_Array2D & operator=(const T &a);
+ inline Fortran_Array2D & operator=(const Fortran_Array2D &A);
+ inline Fortran_Array2D & ref(const Fortran_Array2D &A);
+ Fortran_Array2D copy() const;
+ Fortran_Array2D & inject(const Fortran_Array2D & A);
+ inline T& operator()(int i, int j);
+ inline const T& operator()(int i, int j) const ;
+ inline int dim1() const;
+ inline int dim2() const;
+ ~Fortran_Array2D();
+
+ /* extended interface */
+
+ inline int ref_count() const;
+
+};
+
+template <class T>
+Fortran_Array2D<T>::Fortran_Array2D() : v_(), m_(0), n_(0), data_(0) {}
+
+
+template <class T>
+Fortran_Array2D<T>::Fortran_Array2D(const Fortran_Array2D<T> &A) : v_(A.v_),
+ m_(A.m_), n_(A.n_), data_(A.data_) {}
+
+
+
+template <class T>
+Fortran_Array2D<T>::Fortran_Array2D(int m, int n) : v_(m*n), m_(m), n_(n),
+ data_(v_.begin()) {}
+
+template <class T>
+Fortran_Array2D<T>::Fortran_Array2D(int m, int n, const T &val) :
+ v_(m*n), m_(m), n_(n), data_(v_.begin())
+{
+ set_(data_, data_+m*n, val);
+}
+
+
+template <class T>
+Fortran_Array2D<T>::Fortran_Array2D(int m, int n, T *a) : v_(a),
+ m_(m), n_(n), data_(v_.begin()) {}
+
+
+
+
+template <class T>
+inline T& Fortran_Array2D<T>::operator()(int i, int j)
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 1);
+ assert(i <= m_);
+ assert(j >= 1);
+ assert(j <= n_);
+#endif
+
+ return v_[ (j-1)*m_ + (i-1) ];
+
+}
+
+template <class T>
+inline const T& Fortran_Array2D<T>::operator()(int i, int j) const
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 1);
+ assert(i <= m_);
+ assert(j >= 1);
+ assert(j <= n_);
+#endif
+
+ return v_[ (j-1)*m_ + (i-1) ];
+
+}
+
+
+template <class T>
+Fortran_Array2D<T> & Fortran_Array2D<T>::operator=(const T &a)
+{
+ set_(data_, data_+m_*n_, a);
+ return *this;
+}
+
+template <class T>
+Fortran_Array2D<T> Fortran_Array2D<T>::copy() const
+{
+
+ Fortran_Array2D B(m_,n_);
+
+ B.inject(*this);
+ return B;
+}
+
+
+template <class T>
+Fortran_Array2D<T> & Fortran_Array2D<T>::inject(const Fortran_Array2D &A)
+{
+ if (m_ == A.m_ && n_ == A.n_)
+ copy_(data_, A.data_, m_*n_);
+
+ return *this;
+}
+
+
+
+template <class T>
+Fortran_Array2D<T> & Fortran_Array2D<T>::ref(const Fortran_Array2D<T> &A)
+{
+ if (this != &A)
+ {
+ v_ = A.v_;
+ m_ = A.m_;
+ n_ = A.n_;
+ data_ = A.data_;
+ }
+ return *this;
+}
+
+template <class T>
+Fortran_Array2D<T> & Fortran_Array2D<T>::operator=(const Fortran_Array2D<T> &A)
+{
+ return ref(A);
+}
+
+template <class T>
+inline int Fortran_Array2D<T>::dim1() const { return m_; }
+
+template <class T>
+inline int Fortran_Array2D<T>::dim2() const { return n_; }
+
+
+template <class T>
+Fortran_Array2D<T>::~Fortran_Array2D()
+{
+}
+
+template <class T>
+inline int Fortran_Array2D<T>::ref_count() const { return v_.ref_count(); }
+
+
+
+
+template <class T>
+void Fortran_Array2D<T>::set_(T* begin, T* end, const T& a)
+{
+ for (T* p=begin; p<end; p++)
+ *p = a;
+
+}
+
+template <class T>
+void Fortran_Array2D<T>::copy_(T* p, const T* q, int len)
+{
+ T *end = p + len;
+ while (p<end )
+ *p++ = *q++;
+
+}
+
+
+} /* namespace TNT */
+
+#endif
+/* TNT_FORTRAN_ARRAY2D_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array2d_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array2d_utils.h
new file mode 100644
index 0000000..bb68673
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array2d_utils.h
@@ -0,0 +1,236 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+#ifndef TNT_FORTRAN_ARRAY2D_UTILS_H
+#define TNT_FORTRAN_ARRAY2D_UTILS_H
+
+#include <iostream>
+
+namespace TNT
+{
+
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Fortran_Array2D<T> &A)
+{
+ int M=A.dim1();
+ int N=A.dim2();
+
+ s << M << " " << N << "\n";
+
+ for (int i=1; i<=M; i++)
+ {
+ for (int j=1; j<=N; j++)
+ {
+ s << A(i,j) << " ";
+ }
+ s << "\n";
+ }
+
+
+ return s;
+}
+
+template <class T>
+std::istream& operator>>(std::istream &s, Fortran_Array2D<T> &A)
+{
+
+ int M, N;
+
+ s >> M >> N;
+
+ Fortran_Array2D<T> B(M,N);
+
+ for (int i=1; i<=M; i++)
+ for (int j=1; j<=N; j++)
+ {
+ s >> B(i,j);
+ }
+
+ A = B;
+ return s;
+}
+
+
+
+
+template <class T>
+Fortran_Array2D<T> operator+(const Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Fortran_Array2D<T>();
+
+ else
+ {
+ Fortran_Array2D<T> C(m,n);
+
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ C(i,j) = A(i,j) + B(i,j);
+ }
+ return C;
+ }
+}
+
+template <class T>
+Fortran_Array2D<T> operator-(const Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Fortran_Array2D<T>();
+
+ else
+ {
+ Fortran_Array2D<T> C(m,n);
+
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ C(i,j) = A(i,j) - B(i,j);
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array2D<T> operator*(const Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Fortran_Array2D<T>();
+
+ else
+ {
+ Fortran_Array2D<T> C(m,n);
+
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ C(i,j) = A(i,j) * B(i,j);
+ }
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array2D<T> operator/(const Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() != m || B.dim2() != n )
+ return Fortran_Array2D<T>();
+
+ else
+ {
+ Fortran_Array2D<T> C(m,n);
+
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ C(i,j) = A(i,j) / B(i,j);
+ }
+ return C;
+ }
+}
+
+
+
+template <class T>
+Fortran_Array2D<T>& operator+=(Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ A(i,j) += B(i,j);
+ }
+ }
+ return A;
+}
+
+template <class T>
+Fortran_Array2D<T>& operator-=(Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ A(i,j) -= B(i,j);
+ }
+ }
+ return A;
+}
+
+template <class T>
+Fortran_Array2D<T>& operator*=(Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ A(i,j) *= B(i,j);
+ }
+ }
+ return A;
+}
+
+template <class T>
+Fortran_Array2D<T>& operator/=(Fortran_Array2D<T> &A, const Fortran_Array2D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+
+ if (B.dim1() == m || B.dim2() == n )
+ {
+ for (int i=1; i<=m; i++)
+ {
+ for (int j=1; j<=n; j++)
+ A(i,j) /= B(i,j);
+ }
+ }
+ return A;
+}
+
+} // namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array3d.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array3d.h
new file mode 100644
index 0000000..e51affb
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array3d.h
@@ -0,0 +1,223 @@
+/*
+*
+* Template Numerical Toolkit (TNT): Three-dimensional Fortran numerical array
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_FORTRAN_ARRAY3D_H
+#define TNT_FORTRAN_ARRAY3D_H
+
+#include <cstdlib>
+#include <iostream>
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+#include "tnt_i_refvec.h"
+
+namespace TNT
+{
+
+template <class T>
+class Fortran_Array3D
+{
+
+
+ private:
+
+
+ i_refvec<T> v_;
+ int m_;
+ int n_;
+ int k_;
+ T* data_;
+
+ public:
+
+ typedef T value_type;
+
+ Fortran_Array3D();
+ Fortran_Array3D(int m, int n, int k);
+ Fortran_Array3D(int m, int n, int k, T *a);
+ Fortran_Array3D(int m, int n, int k, const T &a);
+ inline Fortran_Array3D(const Fortran_Array3D &A);
+ inline Fortran_Array3D & operator=(const T &a);
+ inline Fortran_Array3D & operator=(const Fortran_Array3D &A);
+ inline Fortran_Array3D & ref(const Fortran_Array3D &A);
+ Fortran_Array3D copy() const;
+ Fortran_Array3D & inject(const Fortran_Array3D & A);
+ inline T& operator()(int i, int j, int k);
+ inline const T& operator()(int i, int j, int k) const ;
+ inline int dim1() const;
+ inline int dim2() const;
+ inline int dim3() const;
+ inline int ref_count() const;
+ ~Fortran_Array3D();
+
+
+};
+
+template <class T>
+Fortran_Array3D<T>::Fortran_Array3D() : v_(), m_(0), n_(0), k_(0), data_(0) {}
+
+
+template <class T>
+Fortran_Array3D<T>::Fortran_Array3D(const Fortran_Array3D<T> &A) :
+ v_(A.v_), m_(A.m_), n_(A.n_), k_(A.k_), data_(A.data_) {}
+
+
+
+template <class T>
+Fortran_Array3D<T>::Fortran_Array3D(int m, int n, int k) :
+ v_(m*n*k), m_(m), n_(n), k_(k), data_(v_.begin()) {}
+
+
+
+template <class T>
+Fortran_Array3D<T>::Fortran_Array3D(int m, int n, int k, const T &val) :
+ v_(m*n*k), m_(m), n_(n), k_(k), data_(v_.begin())
+{
+ for (T* p = data_; p < data_ + m*n*k; p++)
+ *p = val;
+}
+
+template <class T>
+Fortran_Array3D<T>::Fortran_Array3D(int m, int n, int k, T *a) :
+ v_(a), m_(m), n_(n), k_(k), data_(v_.begin()) {}
+
+
+
+
+template <class T>
+inline T& Fortran_Array3D<T>::operator()(int i, int j, int k)
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 1);
+ assert(i <= m_);
+ assert(j >= 1);
+ assert(j <= n_);
+ assert(k >= 1);
+ assert(k <= k_);
+#endif
+
+ return data_[(k-1)*m_*n_ + (j-1) * m_ + i-1];
+
+}
+
+template <class T>
+inline const T& Fortran_Array3D<T>::operator()(int i, int j, int k) const
+{
+#ifdef TNT_BOUNDS_CHECK
+ assert(i >= 1);
+ assert(i <= m_);
+ assert(j >= 1);
+ assert(j <= n_);
+ assert(k >= 1);
+ assert(k <= k_);
+#endif
+
+ return data_[(k-1)*m_*n_ + (j-1) * m_ + i-1];
+}
+
+
+template <class T>
+Fortran_Array3D<T> & Fortran_Array3D<T>::operator=(const T &a)
+{
+
+ T *end = data_ + m_*n_*k_;
+
+ for (T *p=data_; p != end; *p++ = a);
+
+ return *this;
+}
+
+template <class T>
+Fortran_Array3D<T> Fortran_Array3D<T>::copy() const
+{
+
+ Fortran_Array3D B(m_, n_, k_);
+ B.inject(*this);
+ return B;
+
+}
+
+
+template <class T>
+Fortran_Array3D<T> & Fortran_Array3D<T>::inject(const Fortran_Array3D &A)
+{
+
+ if (m_ == A.m_ && n_ == A.n_ && k_ == A.k_)
+ {
+ T *p = data_;
+ T *end = data_ + m_*n_*k_;
+ const T* q = A.data_;
+ for (; p < end; *p++ = *q++);
+ }
+ return *this;
+}
+
+
+
+
+template <class T>
+Fortran_Array3D<T> & Fortran_Array3D<T>::ref(const Fortran_Array3D<T> &A)
+{
+
+ if (this != &A)
+ {
+ v_ = A.v_;
+ m_ = A.m_;
+ n_ = A.n_;
+ k_ = A.k_;
+ data_ = A.data_;
+ }
+ return *this;
+}
+
+template <class T>
+Fortran_Array3D<T> & Fortran_Array3D<T>::operator=(const Fortran_Array3D<T> &A)
+{
+ return ref(A);
+}
+
+template <class T>
+inline int Fortran_Array3D<T>::dim1() const { return m_; }
+
+template <class T>
+inline int Fortran_Array3D<T>::dim2() const { return n_; }
+
+template <class T>
+inline int Fortran_Array3D<T>::dim3() const { return k_; }
+
+
+template <class T>
+inline int Fortran_Array3D<T>::ref_count() const
+{
+ return v_.ref_count();
+}
+
+template <class T>
+Fortran_Array3D<T>::~Fortran_Array3D()
+{
+}
+
+
+} /* namespace TNT */
+
+#endif
+/* TNT_FORTRAN_ARRAY3D_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array3d_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array3d_utils.h
new file mode 100644
index 0000000..a13a275
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_fortran_array3d_utils.h
@@ -0,0 +1,249 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+#ifndef TNT_FORTRAN_ARRAY3D_UTILS_H
+#define TNT_FORTRAN_ARRAY3D_UTILS_H
+
+#include <cstdlib>
+#include <cassert>
+
+namespace TNT
+{
+
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Fortran_Array3D<T> &A)
+{
+ int M=A.dim1();
+ int N=A.dim2();
+ int K=A.dim3();
+
+ s << M << " " << N << " " << K << "\n";
+
+ for (int i=1; i<=M; i++)
+ {
+ for (int j=1; j<=N; j++)
+ {
+ for (int k=1; k<=K; k++)
+ s << A(i,j,k) << " ";
+ s << "\n";
+ }
+ s << "\n";
+ }
+
+
+ return s;
+}
+
+template <class T>
+std::istream& operator>>(std::istream &s, Fortran_Array3D<T> &A)
+{
+
+ int M, N, K;
+
+ s >> M >> N >> K;
+
+ Fortran_Array3D<T> B(M,N,K);
+
+ for (int i=1; i<=M; i++)
+ for (int j=1; j<=N; j++)
+ for (int k=1; k<=K; k++)
+ s >> B(i,j,k);
+
+ A = B;
+ return s;
+}
+
+
+template <class T>
+Fortran_Array3D<T> operator+(const Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Fortran_Array3D<T>();
+
+ else
+ {
+ Fortran_Array3D<T> C(m,n,p);
+
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ C(i,j,k) = A(i,j,k)+ B(i,j,k);
+
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array3D<T> operator-(const Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Fortran_Array3D<T>();
+
+ else
+ {
+ Fortran_Array3D<T> C(m,n,p);
+
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ C(i,j,k) = A(i,j,k)- B(i,j,k);
+
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array3D<T> operator*(const Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Fortran_Array3D<T>();
+
+ else
+ {
+ Fortran_Array3D<T> C(m,n,p);
+
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ C(i,j,k) = A(i,j,k)* B(i,j,k);
+
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array3D<T> operator/(const Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() != m || B.dim2() != n || B.dim3() != p )
+ return Fortran_Array3D<T>();
+
+ else
+ {
+ Fortran_Array3D<T> C(m,n,p);
+
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ C(i,j,k) = A(i,j,k)/ B(i,j,k);
+
+ return C;
+ }
+}
+
+
+template <class T>
+Fortran_Array3D<T>& operator+=(Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ A(i,j,k) += B(i,j,k);
+ }
+
+ return A;
+}
+
+
+template <class T>
+Fortran_Array3D<T>& operator-=(Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ A(i,j,k) -= B(i,j,k);
+ }
+
+ return A;
+}
+
+
+template <class T>
+Fortran_Array3D<T>& operator*=(Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ A(i,j,k) *= B(i,j,k);
+ }
+
+ return A;
+}
+
+
+template <class T>
+Fortran_Array3D<T>& operator/=(Fortran_Array3D<T> &A, const Fortran_Array3D<T> &B)
+{
+ int m = A.dim1();
+ int n = A.dim2();
+ int p = A.dim3();
+
+ if (B.dim1() == m && B.dim2() == n && B.dim3() == p )
+ {
+ for (int i=1; i<=m; i++)
+ for (int j=1; j<=n; j++)
+ for (int k=1; k<=p; k++)
+ A(i,j,k) /= B(i,j,k);
+ }
+
+ return A;
+}
+
+
+} // namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_i_refvec.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_i_refvec.h
new file mode 100644
index 0000000..5a67eb5
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_i_refvec.h
@@ -0,0 +1,243 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_I_REFVEC_H
+#define TNT_I_REFVEC_H
+
+#include <cstdlib>
+#include <iostream>
+
+#ifdef TNT_BOUNDS_CHECK
+#include <assert.h>
+#endif
+
+#ifndef NULL
+#define NULL 0
+#endif
+
+namespace TNT
+{
+/*
+ Internal representation of ref-counted array. The TNT
+ arrays all use this building block.
+
+ <p>
+ If an array block is created by TNT, then every time
+ an assignment is made, the left-hand-side reference
+ is decreased by one, and the right-hand-side refernce
+ count is increased by one. If the array block was
+ external to TNT, the refernce count is a NULL pointer
+ regardless of how many references are made, since the
+ memory is not freed by TNT.
+
+
+
+*/
+template <class T>
+class i_refvec
+{
+
+
+ private:
+ T* data_;
+ int *ref_count_;
+
+
+ public:
+
+ i_refvec();
+ explicit i_refvec(int n);
+ inline i_refvec(T* data);
+ inline i_refvec(const i_refvec &v);
+ inline T* begin();
+ inline const T* begin() const;
+ inline T& operator[](int i);
+ inline const T& operator[](int i) const;
+ inline i_refvec<T> & operator=(const i_refvec<T> &V);
+ void copy_(T* p, const T* q, const T* e);
+ void set_(T* p, const T* b, const T* e);
+ inline int ref_count() const;
+ inline int is_null() const;
+ inline void destroy();
+ ~i_refvec();
+
+};
+
+template <class T>
+void i_refvec<T>::copy_(T* p, const T* q, const T* e)
+{
+ for (T* t=p; q<e; t++, q++)
+ *t= *q;
+}
+
+template <class T>
+i_refvec<T>::i_refvec() : data_(NULL), ref_count_(NULL) {}
+
+/**
+ In case n is 0 or negative, it does NOT call new.
+*/
+template <class T>
+i_refvec<T>::i_refvec(int n) : data_(NULL), ref_count_(NULL)
+{
+ if (n >= 1)
+ {
+#ifdef TNT_DEBUG
+ std::cout << "new data storage.\n";
+#endif
+ data_ = new T[n];
+ ref_count_ = new int;
+ *ref_count_ = 1;
+ }
+}
+
+template <class T>
+inline i_refvec<T>::i_refvec(const i_refvec<T> &V): data_(V.data_),
+ ref_count_(V.ref_count_)
+{
+ if (V.ref_count_ != NULL)
+ (*(V.ref_count_))++;
+}
+
+
+template <class T>
+i_refvec<T>::i_refvec(T* data) : data_(data), ref_count_(NULL) {}
+
+template <class T>
+inline T* i_refvec<T>::begin()
+{
+ return data_;
+}
+
+template <class T>
+inline const T& i_refvec<T>::operator[](int i) const
+{
+ return data_[i];
+}
+
+template <class T>
+inline T& i_refvec<T>::operator[](int i)
+{
+ return data_[i];
+}
+
+
+template <class T>
+inline const T* i_refvec<T>::begin() const
+{
+ return data_;
+}
+
+
+
+template <class T>
+i_refvec<T> & i_refvec<T>::operator=(const i_refvec<T> &V)
+{
+ if (this == &V)
+ return *this;
+
+
+ if (ref_count_ != NULL)
+ {
+ (*ref_count_) --;
+ if ((*ref_count_) == 0)
+ destroy();
+ }
+
+ data_ = V.data_;
+ ref_count_ = V.ref_count_;
+
+ if (V.ref_count_ != NULL)
+ (*(V.ref_count_))++;
+
+ return *this;
+}
+
+template <class T>
+void i_refvec<T>::destroy()
+{
+ if (ref_count_ != NULL)
+ {
+#ifdef TNT_DEBUG
+ std::cout << "destorying data... \n";
+#endif
+ delete ref_count_;
+
+#ifdef TNT_DEBUG
+ std::cout << "deleted ref_count_ ...\n";
+#endif
+ if (data_ != NULL)
+ delete []data_;
+#ifdef TNT_DEBUG
+ std::cout << "deleted data_[] ...\n";
+#endif
+ data_ = NULL;
+ }
+}
+
+/*
+* return 1 is vector is empty, 0 otherwise
+*
+* if is_null() is false and ref_count() is 0, then
+*
+*/
+template<class T>
+int i_refvec<T>::is_null() const
+{
+ return (data_ == NULL ? 1 : 0);
+}
+
+/*
+* returns -1 if data is external,
+* returns 0 if a is NULL array,
+* otherwise returns the positive number of vectors sharing
+* this data space.
+*/
+template <class T>
+int i_refvec<T>::ref_count() const
+{
+ if (data_ == NULL)
+ return 0;
+ else
+ return (ref_count_ != NULL ? *ref_count_ : -1) ;
+}
+
+template <class T>
+i_refvec<T>::~i_refvec()
+{
+ if (ref_count_ != NULL)
+ {
+ (*ref_count_)--;
+
+ if (*ref_count_ == 0)
+ destroy();
+ }
+}
+
+
+} /* namespace TNT */
+
+
+
+
+
+#endif
+/* TNT_I_REFVEC_H */
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_math_utils.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_math_utils.h
new file mode 100644
index 0000000..f9c1c91
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_math_utils.h
@@ -0,0 +1,34 @@
+#ifndef MATH_UTILS_H
+#define MATH_UTILS_H
+
+/* needed for fabs, sqrt() below */
+#include <cmath>
+
+
+
+namespace TNT
+{
+/**
+ @returns hypotenuse of real (non-complex) scalars a and b by
+ avoiding underflow/overflow
+ using (a * sqrt( 1 + (b/a) * (b/a))), rather than
+ sqrt(a*a + b*b).
+*/
+template <class Real>
+Real hypot(const Real &a, const Real &b)
+{
+
+ if (a== 0)
+ return abs(b);
+ else
+ {
+ Real c = b/a;
+ return fabs(a) * sqrt(1 + c*c);
+ }
+}
+} /* TNT namespace */
+
+
+
+#endif
+/* MATH_UTILS_H */
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_sparse_matrix_csr.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_sparse_matrix_csr.h
new file mode 100644
index 0000000..0d4fde1
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_sparse_matrix_csr.h
@@ -0,0 +1,103 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+#ifndef TNT_SPARSE_MATRIX_CSR_H
+#define TNT_SPARSE_MATRIX_CSR_H
+
+#include "tnt_array1d.h"
+
+namespace TNT
+{
+
+
+/**
+ Read-only view of a sparse matrix in compressed-row storage
+ format. Neither array elements (nonzeros) nor sparsity
+ structure can be modified. If modifications are required,
+ create a new view.
+
+ <p>
+ Index values begin at 0.
+
+ <p>
+ <b>Storage requirements:</b> An (m x n) matrix with
+ nz nonzeros requires no more than ((T+I)*nz + M*I)
+ bytes, where T is the size of data elements and
+ I is the size of integers.
+
+
+*/
+template <class T>
+class Sparse_Matrix_CompRow {
+
+private:
+ Array1D<T> val_; // data values (nz_ elements)
+ Array1D<int> rowptr_; // row_ptr (dim_[0]+1 elements)
+ Array1D<int> colind_; // col_ind (nz_ elements)
+
+ int dim1_; // number of rows
+ int dim2_; // number of cols
+
+public:
+
+ Sparse_Matrix_CompRow(const Sparse_Matrix_CompRow &S);
+ Sparse_Matrix_CompRow(int M, int N, int nz, const T *val,
+ const int *r, const int *c);
+
+
+
+ inline const T& val(int i) const { return val_[i]; }
+ inline const int& row_ptr(int i) const { return rowptr_[i]; }
+ inline const int& col_ind(int i) const { return colind_[i];}
+
+ inline int dim1() const {return dim1_;}
+ inline int dim2() const {return dim2_;}
+ int NumNonzeros() const {return val_.dim1();}
+
+
+ Sparse_Matrix_CompRow& operator=(
+ const Sparse_Matrix_CompRow &R);
+
+
+
+};
+
+/**
+ Construct a read-only view of existing sparse matrix in
+ compressed-row storage format.
+
+ @param M the number of rows of sparse matrix
+ @param N the number of columns of sparse matrix
+ @param nz the number of nonzeros
+ @param val a contiguous list of nonzero values
+ @param r row-pointers: r[i] denotes the begining position of row i
+ (i.e. the ith row begins at val[row[i]]).
+ @param c column-indices: c[i] denotes the column location of val[i]
+*/
+template <class T>
+Sparse_Matrix_CompRow<T>::Sparse_Matrix_CompRow(int M, int N, int nz,
+ const T *val, const int *r, const int *c) : val_(nz,val),
+ rowptr_(M, r), colind_(nz, c), dim1_(M), dim2_(N) {}
+
+
+}
+// namespace TNT
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_stopwatch.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_stopwatch.h
new file mode 100644
index 0000000..8dc5d23
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_stopwatch.h
@@ -0,0 +1,95 @@
+/*
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef STOPWATCH_H
+#define STOPWATCH_H
+
+// for clock() and CLOCKS_PER_SEC
+#include <time.h>
+
+
+namespace TNT
+{
+
+inline static double seconds(void)
+{
+ const double secs_per_tick = 1.0 / CLOCKS_PER_SEC;
+ return ( (double) clock() ) * secs_per_tick;
+}
+
+class Stopwatch {
+ private:
+ int running_;
+ double start_time_;
+ double total_;
+
+ public:
+ inline Stopwatch();
+ inline void start();
+ inline double stop();
+ inline double read();
+ inline void resume();
+ inline int running();
+};
+
+inline Stopwatch::Stopwatch() : running_(0), start_time_(0.0), total_(0.0) {}
+
+void Stopwatch::start()
+{
+ running_ = 1;
+ total_ = 0.0;
+ start_time_ = seconds();
+}
+
+double Stopwatch::stop()
+{
+ if (running_)
+ {
+ total_ += (seconds() - start_time_);
+ running_ = 0;
+ }
+ return total_;
+}
+
+inline void Stopwatch::resume()
+{
+ if (!running_)
+ {
+ start_time_ = seconds();
+ running_ = 1;
+ }
+}
+
+
+inline double Stopwatch::read()
+{
+ if (running_)
+ {
+ stop();
+ resume();
+ }
+ return total_;
+}
+
+
+} /* TNT namespace */
+#endif
+
+
+
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_subscript.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_subscript.h
new file mode 100644
index 0000000..d8fe120
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_subscript.h
@@ -0,0 +1,54 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+#ifndef TNT_SUBSCRPT_H
+#define TNT_SUBSCRPT_H
+
+
+//---------------------------------------------------------------------
+// This definition describes the default TNT data type used for
+// indexing into TNT matrices and vectors. The data type should
+// be wide enough to index into large arrays. It defaults to an
+// "int", but can be overriden at compile time redefining TNT_SUBSCRIPT_TYPE,
+// e.g.
+//
+// c++ -DTNT_SUBSCRIPT_TYPE='unsigned int' ...
+//
+//---------------------------------------------------------------------
+//
+
+#ifndef TNT_SUBSCRIPT_TYPE
+#define TNT_SUBSCRIPT_TYPE int
+#endif
+
+namespace TNT
+{
+ typedef TNT_SUBSCRIPT_TYPE Subscript;
+} /* namespace TNT */
+
+
+// () indexing in TNT means 1-offset, i.e. x(1) and A(1,1) are the
+// first elements. This offset is left as a macro for future
+// purposes, but should not be changed in the current release.
+//
+//
+#define TNT_BASE_OFFSET (1)
+
+#endif
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_vec.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_vec.h
new file mode 100644
index 0000000..3455d79
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_vec.h
@@ -0,0 +1,404 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+
+
+#ifndef TNT_VEC_H
+#define TNT_VEC_H
+
+#include "tnt_subscript.h"
+#include <cstdlib>
+#include <cassert>
+#include <iostream>
+#include <sstream>
+
+namespace TNT
+{
+
+/**
+ <b>[Deprecatred]</b> Value-based vector class from pre-1.0
+ TNT version. Kept here for backward compatiblity, but should
+ use the newer TNT::Array1D classes instead.
+
+*/
+
+template <class T>
+class Vector
+{
+
+
+ public:
+
+ typedef Subscript size_type;
+ typedef T value_type;
+ typedef T element_type;
+ typedef T* pointer;
+ typedef T* iterator;
+ typedef T& reference;
+ typedef const T* const_iterator;
+ typedef const T& const_reference;
+
+ Subscript lbound() const { return 1;}
+
+ protected:
+ T* v_;
+ T* vm1_; // pointer adjustment for optimzied 1-offset indexing
+ Subscript n_;
+
+ // internal helper function to create the array
+ // of row pointers
+
+ void initialize(Subscript N)
+ {
+ // adjust pointers so that they are 1-offset:
+ // v_[] is the internal contiguous array, it is still 0-offset
+ //
+ assert(v_ == NULL);
+ v_ = new T[N];
+ assert(v_ != NULL);
+ vm1_ = v_-1;
+ n_ = N;
+ }
+
+ void copy(const T* v)
+ {
+ Subscript N = n_;
+ Subscript i;
+
+#ifdef TNT_UNROLL_LOOPS
+ Subscript Nmod4 = N & 3;
+ Subscript N4 = N - Nmod4;
+
+ for (i=0; i<N4; i+=4)
+ {
+ v_[i] = v[i];
+ v_[i+1] = v[i+1];
+ v_[i+2] = v[i+2];
+ v_[i+3] = v[i+3];
+ }
+
+ for (i=N4; i< N; i++)
+ v_[i] = v[i];
+#else
+
+ for (i=0; i< N; i++)
+ v_[i] = v[i];
+#endif
+ }
+
+ void set(const T& val)
+ {
+ Subscript N = n_;
+ Subscript i;
+
+#ifdef TNT_UNROLL_LOOPS
+ Subscript Nmod4 = N & 3;
+ Subscript N4 = N - Nmod4;
+
+ for (i=0; i<N4; i+=4)
+ {
+ v_[i] = val;
+ v_[i+1] = val;
+ v_[i+2] = val;
+ v_[i+3] = val;
+ }
+
+ for (i=N4; i< N; i++)
+ v_[i] = val;
+#else
+
+ for (i=0; i< N; i++)
+ v_[i] = val;
+
+#endif
+ }
+
+
+
+ void destroy()
+ {
+ /* do nothing, if no memory has been previously allocated */
+ if (v_ == NULL) return ;
+
+ /* if we are here, then matrix was previously allocated */
+ delete [] (v_);
+
+ v_ = NULL;
+ vm1_ = NULL;
+ }
+
+
+ public:
+
+ // access
+
+ iterator begin() { return v_;}
+ iterator end() { return v_ + n_; }
+ const iterator begin() const { return v_;}
+ const iterator end() const { return v_ + n_; }
+
+ // destructor
+
+ ~Vector()
+ {
+ destroy();
+ }
+
+ // constructors
+
+ Vector() : v_(0), vm1_(0), n_(0) {};
+
+ Vector(const Vector<T> &A) : v_(0), vm1_(0), n_(0)
+ {
+ initialize(A.n_);
+ copy(A.v_);
+ }
+
+ Vector(Subscript N, const T& value = T()) : v_(0), vm1_(0), n_(0)
+ {
+ initialize(N);
+ set(value);
+ }
+
+ Vector(Subscript N, const T* v) : v_(0), vm1_(0), n_(0)
+ {
+ initialize(N);
+ copy(v);
+ }
+
+ Vector(Subscript N, char *s) : v_(0), vm1_(0), n_(0)
+ {
+ initialize(N);
+ std::istringstream ins(s);
+
+ Subscript i;
+
+ for (i=0; i<N; i++)
+ ins >> v_[i];
+ }
+
+
+ // methods
+ //
+ Vector<T>& newsize(Subscript N)
+ {
+ if (n_ == N) return *this;
+
+ destroy();
+ initialize(N);
+
+ return *this;
+ }
+
+
+ // assignments
+ //
+ Vector<T>& operator=(const Vector<T> &A)
+ {
+ if (v_ == A.v_)
+ return *this;
+
+ if (n_ == A.n_) // no need to re-alloc
+ copy(A.v_);
+
+ else
+ {
+ destroy();
+ initialize(A.n_);
+ copy(A.v_);
+ }
+
+ return *this;
+ }
+
+ Vector<T>& operator=(const T& scalar)
+ {
+ set(scalar);
+ return *this;
+ }
+
+ inline Subscript dim() const
+ {
+ return n_;
+ }
+
+ inline Subscript size() const
+ {
+ return n_;
+ }
+
+
+ inline reference operator()(Subscript i)
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(1<=i);
+ assert(i <= n_) ;
+#endif
+ return vm1_[i];
+ }
+
+ inline const_reference operator() (Subscript i) const
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(1<=i);
+ assert(i <= n_) ;
+#endif
+ return vm1_[i];
+ }
+
+ inline reference operator[](Subscript i)
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(0<=i);
+ assert(i < n_) ;
+#endif
+ return v_[i];
+ }
+
+ inline const_reference operator[](Subscript i) const
+ {
+#ifdef TNT_BOUNDS_CHECK
+ assert(0<=i);
+
+
+
+
+
+
+ assert(i < n_) ;
+#endif
+ return v_[i];
+ }
+
+
+
+};
+
+
+/* *************************** I/O ********************************/
+
+template <class T>
+std::ostream& operator<<(std::ostream &s, const Vector<T> &A)
+{
+ Subscript N=A.dim();
+
+ s << N << "\n";
+
+ for (Subscript i=0; i<N; i++)
+ s << A[i] << " " << "\n";
+ s << "\n";
+
+ return s;
+}
+
+template <class T>
+std::istream & operator>>(std::istream &s, Vector<T> &A)
+{
+
+ Subscript N;
+
+ s >> N;
+
+ if ( !(N == A.size() ))
+ {
+ A.newsize(N);
+ }
+
+
+ for (Subscript i=0; i<N; i++)
+ s >> A[i];
+
+
+ return s;
+}
+
+// *******************[ basic matrix algorithms ]***************************
+
+
+template <class T>
+Vector<T> operator+(const Vector<T> &A,
+ const Vector<T> &B)
+{
+ Subscript N = A.dim();
+
+ assert(N==B.dim());
+
+ Vector<T> tmp(N);
+ Subscript i;
+
+ for (i=0; i<N; i++)
+ tmp[i] = A[i] + B[i];
+
+ return tmp;
+}
+
+template <class T>
+Vector<T> operator-(const Vector<T> &A,
+ const Vector<T> &B)
+{
+ Subscript N = A.dim();
+
+ assert(N==B.dim());
+
+ Vector<T> tmp(N);
+ Subscript i;
+
+ for (i=0; i<N; i++)
+ tmp[i] = A[i] - B[i];
+
+ return tmp;
+}
+
+template <class T>
+Vector<T> operator*(const Vector<T> &A,
+ const Vector<T> &B)
+{
+ Subscript N = A.dim();
+
+ assert(N==B.dim());
+
+ Vector<T> tmp(N);
+ Subscript i;
+
+ for (i=0; i<N; i++)
+ tmp[i] = A[i] * B[i];
+
+ return tmp;
+}
+
+
+template <class T>
+T dot_prod(const Vector<T> &A, const Vector<T> &B)
+{
+ Subscript N = A.dim();
+ assert(N == B.dim());
+
+ Subscript i;
+ T sum = 0;
+
+ for (i=0; i<N; i++)
+ sum += A[i] * B[i];
+
+ return sum;
+}
+
+} /* namespace TNT */
+
+#endif
+// TNT_VEC_H
diff --git a/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_version.h b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_version.h
new file mode 100644
index 0000000..047e7d3
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/libiqPy/tnt/tnt_version.h
@@ -0,0 +1,39 @@
+/*
+*
+* Template Numerical Toolkit (TNT)
+*
+* Mathematical and Computational Sciences Division
+* National Institute of Technology,
+* Gaithersburg, MD USA
+*
+*
+* This software was developed at the National Institute of Standards and
+* Technology (NIST) by employees of the Federal Government in the course
+* of their official duties. Pursuant to title 17 Section 105 of the
+* United States Code, this software is not subject to copyright protection
+* and is in the public domain. NIST assumes no responsibility whatsoever for
+* its use by other parties, and makes no guarantees, expressed or implied,
+* about its quality, reliability, or any other characteristic.
+*
+*/
+
+#ifndef TNT_VERSION_H
+#define TNT_VERSION_H
+
+
+//---------------------------------------------------------------------
+// current version
+//---------------------------------------------------------------------
+
+
+#define TNT_MAJOR_VERSION '1'
+#define TNT_MINOR_VERSION '2'
+#define TNT_SUBMINOR_VERSION '6'
+#define TNT_VERSION_STRING "1.2.6"
+
+
+
+
+
+#endif
+// TNT_VERSION_H
diff --git a/src/sas/sascalc/simulation/iqPy/tests/Make.mm b/src/sas/sascalc/simulation/iqPy/tests/Make.mm
new file mode 100644
index 0000000..58a6e1f
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/tests/Make.mm
@@ -0,0 +1,48 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = iqPy
+PACKAGE = tests
+
+PROJ_CLEAN += $(PROJ_CPPTESTS)
+
+PROJ_PYTESTS = testiq.py
+PROJ_CPPTESTS = testiq
+PROJ_TESTS = $(PROJ_PYTESTS) $(PROJ_CPPTESTS)
+PROJ_LIBRARIES = -L$(BLD_LIBDIR) -liqPy
+PROJ_CXX_INCLUDES = ../libiqPy/tnt \
+ ../libiqPy
+
+#--------------------------------------------------------------------------
+#
+
+all: $(PROJ_TESTS)
+
+test:
+ for test in $(PROJ_TESTS) ; do $${test}; done
+
+release: tidy
+ cvs release .
+
+update: clean
+ cvs update .
+
+#--------------------------------------------------------------------------
+#
+
+testiq: testiq.cc $(BLD_LIBDIR)/libiqPy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -o $@ testiq.cc $(PROJ_LIBRARIES)
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/tests/signon.py b/src/sas/sascalc/simulation/iqPy/tests/signon.py
new file mode 100644
index 0000000..c18e3c0
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/tests/signon.py
@@ -0,0 +1,34 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+if __name__ == "__main__":
+
+ import iqPy
+ from iqPy import iqPy as iqPymodule
+
+ print "copyright information:"
+ print " ", iqPy.copyright()
+ print " ", iqPymodule.copyright()
+
+ print
+ print "module information:"
+ print " file:", iqPymodule.__file__
+ print " doc:", iqPymodule.__doc__
+ print " contents:", dir(iqPymodule)
+
+ print
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/iqPy/tests/testiq.cc b/src/sas/sascalc/simulation/iqPy/tests/testiq.cc
new file mode 100644
index 0000000..fc707ab
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/tests/testiq.cc
@@ -0,0 +1,34 @@
+#include "iq.h"
+#include <iostream>
+
+using namespace std;
+
+int main(){
+
+ cout << " Generating a empty iq 2D array with size of 10" << endl;
+ IQ iq1(10);
+
+ for (int i = 0; i< iq1.iq_data.dim1(); i++)
+ cout << iq1.iq_data[i][0]<< " " << iq1.iq_data[i][0] <<endl;
+
+ int dim = iq1.iq_data.dim1();
+
+ cout << "dimension of the iq array is : " << dim << endl;
+
+ iq1.SetQmin(0.001);
+ iq1.SetQmax(0.4);
+ iq1.SetContrast(1.0);
+ iq1.SetVolFrac(1.0);
+
+ cout << iq1.GetQmin() << " " << iq1.GetQmax() << " " << iq1.GetContrast() << " " << iq1.GetVolFrac() << endl;
+
+ cout << "generating another empty iq object through constructor IQ(numI,qmin,qmax)" <<endl;
+
+ IQ iq2(15,0.001,0.4);
+
+ iq2.OutputIQ("out.iq");
+
+ cout << "pass." << endl;
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/iqPy/tests/testiq.py b/src/sas/sascalc/simulation/iqPy/tests/testiq.py
new file mode 100644
index 0000000..5b2b2a8
--- /dev/null
+++ b/src/sas/sascalc/simulation/iqPy/tests/testiq.py
@@ -0,0 +1,24 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+if __name__ == "__main__":
+
+ from SASsimulation import iqPy
+ iqPy.new_iq(10,0.01,0.4)
+
+ print "pass."
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/Make.mm b/src/sas/sascalc/simulation/pointsmodelpy/Make.mm
new file mode 100644
index 0000000..59bd443
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/Make.mm
@@ -0,0 +1,47 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = pointsmodelpy
+
+# directory structure
+
+BUILD_DIRS = \
+ libpointsmodelpy \
+ pointsmodelpymodule \
+ pointsmodelpy \
+
+OTHER_DIRS = \
+ tests \
+ examples
+
+RECURSE_DIRS = $(BUILD_DIRS) $(OTHER_DIRS)
+
+#--------------------------------------------------------------------------
+#
+
+all:
+ BLD_ACTION="all" $(MM) recurse
+
+distclean::
+ BLD_ACTION="distclean" $(MM) recurse
+
+clean::
+ BLD_ACTION="clean" $(MM) recurse
+
+tidy::
+ BLD_ACTION="tidy" $(MM) recurse
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/examples/Make.mm b/src/sas/sascalc/simulation/pointsmodelpy/examples/Make.mm
new file mode 100644
index 0000000..e51e71b
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/examples/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = pointsmodelpy
+PACKAGE = examples
+
+#--------------------------------------------------------------------------
+#
+
+all: clean
+
+release: clean
+ cvs release .
+
+update: clean
+ cvs update .
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/Make.mm b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/Make.mm
new file mode 100644
index 0000000..8b93407
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/Make.mm
@@ -0,0 +1,69 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+include local.def
+
+PROJECT = pointsmodelpy
+PACKAGE = libpointsmodelpy
+
+PROJ_SAR = $(BLD_LIBDIR)/$(PACKAGE).$(EXT_SAR)
+PROJ_DLL = $(BLD_BINDIR)/$(PACKAGE).$(EXT_SO)
+PROJ_TMPDIR = $(BLD_TMPDIR)/$(PROJECT)/$(PACKAGE)
+PROJ_CLEAN += $(PROJ_SAR) $(PROJ_DLL)
+
+PROJ_SRCS = \
+ lores_model.cc \
+ points_model.cc \
+ pdb_model.cc \
+ complex_model.cc
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+# build the library
+
+all: $(PROJ_SAR) export
+
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+ifeq (Win32, ${findstring Win32, $(PLATFORM_ID)})
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_DLL) \
+ -Wl,--out-implib=$(PROJ_SAR) $(PROJ_OBJS)
+
+# export
+export:: export-headers export-libraries export-binaries
+
+else
+
+# build the shared object
+$(PROJ_SAR): product_dirs $(PROJ_OBJS)
+ $(CXX) $(LCXXFLAGS) -o $(PROJ_SAR) $(PROJ_OBJS) -L$(BLD_LIBDIR)
+
+# export
+export:: export-headers export-libraries
+
+endif
+
+EXPORT_HEADERS = \
+ lores_model.h \
+ points_model.h \
+ complex_model.h
+
+EXPORT_LIBS = $(PROJ_SAR)
+EXPORT_BINS = $(PROJ_DLL)
+
+
+# version
+# $Id$
+
+#
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/complex_model.cc b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/complex_model.cc
new file mode 100644
index 0000000..8a3645d
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/complex_model.cc
@@ -0,0 +1,97 @@
+/** \file complex_model.cc */
+
+#include "complex_model.h"
+#include <algorithm>
+#include <stdexcept>
+
+using namespace std;
+
+ComplexModel::ComplexModel(){
+
+}
+
+void ComplexModel::Add(PointsModel *pm)
+{
+ models_.push_back(pm);
+}
+
+double ComplexModel::GetDimBound()
+{
+ //Get the vector of centers of pointsmodel instances
+ //and a vector of individual boundary
+ vector<PointsModel *>::iterator itr;
+ vector<Point3D> veccenter;
+ vector<double> bounds;
+
+ for(itr = models_.begin(); itr != models_.end(); ++itr){
+ if ((*itr)->GetDimBound() != 0){
+ Point3D pp((*itr)->GetCenter()[0],(*itr)->GetCenter()[1],(*itr)->GetCenter()[2]);
+ veccenter.push_back(pp);
+ bounds.push_back((*itr)->GetDimBound());
+ }
+ }
+
+ //max bound
+ double maxbound = *max_element(bounds.begin(),bounds.end());
+
+ //max distance
+ vector<double> vecdist;
+ size_t num = veccenter.size();
+
+ if (num > 1){
+ for (size_t i = 0; i != num; ++i){
+ for (size_t j= 1; j != num; ++j){
+ double dist = veccenter[i].distanceToPoint(veccenter[j]);
+ vecdist.push_back(dist);
+ }
+ }
+ }
+ else{
+ vecdist.push_back(maxbound);
+ }
+
+ double maxcenterdist = *max_element(vecdist.begin(),vecdist.end());
+
+ double finalbound = maxbound + maxcenterdist;
+
+ return finalbound;
+}
+
+vector<double> ComplexModel::GetCenter()
+{
+ double sumx = 0, sumy = 0, sumz = 0;
+ size_t num = 0;
+
+ vector<PointsModel *>::iterator itr;
+ for(itr = models_.begin(); itr != models_.end(); ++itr){
+ sumx += (*itr)->GetCenter()[0];
+ sumy += (*itr)->GetCenter()[1];
+ sumz += (*itr)->GetCenter()[2];
+ ++num;
+ }
+
+ vector<double> v(3);
+ v[0] = sumx/num;
+ v[1] = sumy/num;
+ v[2] = sumz/num;
+ center_ = v;
+ return center_;
+}
+
+int ComplexModel::GetPoints(Point3DVector &vp)
+{
+ if (vp.size() != 0){
+ throw runtime_error("GetPoints(Point3DVector &VP):VP has to be empty");
+ }
+
+ vector<PointsModel *>::iterator itr;
+
+ for(itr = models_.begin(); itr != models_.end(); ++itr){
+ vector<Point3D> temp;
+ (*itr)->GetPoints(temp);
+ if (temp.size() != 0){
+ vp.insert(vp.end(),temp.begin(),temp.end());
+ }
+ }
+ return vp.size();
+}
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/complex_model.h b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/complex_model.h
new file mode 100644
index 0000000..db1a64e
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/complex_model.h
@@ -0,0 +1,36 @@
+/** \file complex_model.h child class of PointsModel */
+
+#ifndef COMPLEX_MODEL_H
+#define COMPLEX_MODEL_H
+
+#include "points_model.h"
+#include <string>
+#include <map>
+
+/**
+ * Class ComplexModel : container class for LORESModel & PDBModel
+ * The main functionality is to merge points from instances of
+ * LORESModel & PDBModel
+ */
+
+class ComplexModel : public PointsModel {
+ public:
+ ComplexModel();
+
+ //add PointsModel instance
+ void Add(PointsModel *);
+
+ //Parse all coordinates from ATOM section
+ //of the PDB file into vector of points
+ int GetPoints(Point3DVector &);
+
+ //Get distance boundary for the pointsmodel instances
+ double GetDimBound();
+
+ vector<double> GetCenter();
+
+ private:
+ vector<PointsModel *> models_;
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/local.def b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/local.def
new file mode 100644
index 0000000..e2782e7
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/local.def
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+#
+# Local (project) definitions
+#
+
+# C++
+
+PROJ_CXX_INCLUDES += ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../../geoshapespy/libgeoshapespy \
+ ../../analmodelpy/libanalmodelpy \
+ ./
+
+ PROJ_CXX_FLAGS += $(CXX_SOFLAGS)
+ PROJ_LCXX_FLAGS += $(LCXX_SARFLAGS) -liqPy -lgeoshapespy
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/lores_model.cc b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/lores_model.cc
new file mode 100644
index 0000000..0afde6f
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/lores_model.cc
@@ -0,0 +1,237 @@
+/** \file lores_model.cc */
+
+#include <algorithm>
+#include <stdexcept>
+#include "lores_model.h"
+#include "sphere.h"
+#include "hollow_sphere.h"
+#include "cylinder.h"
+#include "ellipsoid.h"
+#include "single_helix.h"
+#include "Point3D.h"
+
+LORESModel::LORESModel(double density)
+{
+ density_ = density;
+}
+
+GeoShape* LORESModel::GetGeoShape(GeoShape& geo_shape)
+{
+ GeoShape* shape = NULL;
+
+ switch (geo_shape.GetShapeType()){
+ case SPHERE:
+ shape = new Sphere(static_cast<const Sphere&>(geo_shape));
+ break;
+ case HOLLOWSPHERE:
+ shape = new HollowSphere(static_cast<const HollowSphere&>(geo_shape));
+ break;
+ case CYLINDER:
+ shape = new Cylinder(static_cast<const Cylinder&>(geo_shape));
+ break;
+ case ELLIPSOID:
+ shape = new Ellipsoid(static_cast<const Ellipsoid&>(geo_shape));
+ break;
+ case SINGLEHELIX:
+ shape = new SingleHelix(static_cast<const SingleHelix&>(geo_shape));
+ break;
+
+ }
+
+ return shape;
+}
+
+LORESModel::~LORESModel()
+{
+ for (RealSpaceShapeCollection::iterator it = shapes_.begin();
+ it != shapes_.end(); ++it) {
+ delete *it;
+ }
+}
+
+void LORESModel::SetDensity(double density)
+{
+ density_ = density;
+}
+
+double LORESModel::GetDensity()
+{
+ return density_;
+}
+
+// Add a shape into LORES Model
+void LORESModel::Add(GeoShape& geo_shape,
+ double sld) {
+ GeoShape* shape = GetGeoShape(geo_shape);
+ assert(shape != NULL);
+
+ RealSpaceShape* real_shape = new RealSpaceShape(shape);
+ FillPoints(real_shape, sld);
+ shapes_.push_back(real_shape);
+}
+
+// Delete ith shape in shapes_ list
+// If we have 3 shapes in our model, the index starts
+// from 0, which means we need to call Delete(0) to delete
+// the first shape, and call Delete(1) to delete the second
+// shape, etc..
+void LORESModel::Delete(size_t i) {
+ if (i >= shapes_.size()) {
+ std::cerr << "Delete shapes out of scope" << std::endl;
+ return;
+ }
+
+ RealSpaceShape* real_shape = shapes_[i];
+ if (i + 1 < shapes_.size()) {
+ // if it is not the last shape, we have to distribute its points
+ // to the shapes after i-th shape.
+ const Point3DVector& points = real_shape->points;
+ for (Point3DVector::const_iterator pit = points.begin();
+ pit != points.end(); ++pit)
+ DistributePoint(*pit, i + 1);
+ }
+
+ shapes_.erase(shapes_.begin() + i);
+ delete real_shape;
+}
+
+// Get the points in the realspaceshapecollection
+int LORESModel::GetPoints(Point3DVector &pp)
+{
+ if (pp.size() != 0){
+ throw runtime_error("GetPoints(Point3DVector &VP):VP has to be empty");
+ }
+
+ if (shapes_.size() != 0){
+ for (size_t j = 0; j <shapes_.size(); ++j ){
+ pp.insert(pp.end(),shapes_[j]->points.begin(),shapes_[j]->points.end());
+ }
+ }
+ return pp.size();
+}
+
+//Write points to a file, mainly for testing right now
+void LORESModel::WritePoints2File(Point3DVector &vp){
+ ofstream outfile("test.coor");
+ for(size_t i=0; i<vp.size(); ++i){
+ outfile<<vp[i].getX()<<" "<<vp[i].getY()<<" "<<vp[i].getZ()<<" "<<vp[i].getSLD()<<endl;
+ }
+}
+
+double LORESModel::GetDimBound()
+{
+ if(shapes_.size() == 0)
+ return 0;
+
+ //find maximum distance between centers of shapes
+ //get the vector of centers
+ vector<Point3D> vec_center;
+ for (size_t m = 0; m < shapes_.size(); ++m){
+ assert(shapes_[m]->shape != NULL);
+ vector<double> center(3);
+ center = shapes_[m]->shape->GetCenter();
+ Point3D p_center;
+ p_center.set(center[0],center[1],center[2]);
+ vec_center.push_back(p_center);
+ }
+ size_t vecsize = vec_center.size();
+
+ //get the maximum distance among centers
+ double max_cen_dist;
+ if (vecsize == 1){
+ max_cen_dist = 0;
+ }
+ else{
+ vector<double> vecdist;
+ for (size_t m1=0; m1<vecsize -1; ++m1){
+ for (size_t m2 = m1+1; m2<vecsize; ++m2){
+ double dist = vec_center[m1].distanceToPoint(vec_center[m2]);
+ vecdist.push_back(dist);
+ }
+ }
+ max_cen_dist = *max_element(vecdist.begin(), vecdist.end());
+ }
+ //find the maximum radius for individual shape
+ vector<double> maxradii;
+ for (size_t n = 0; n < shapes_.size(); ++n){
+ assert(shapes_[n]->shape != NULL);
+ double maxradius = shapes_[n]->shape->GetMaxRadius();
+ maxradii.push_back(maxradius);
+ }
+ double max_maxradius = *max_element(maxradii.begin(),maxradii.end());
+
+ return 2*(max_cen_dist/2 + max_maxradius);
+}
+
+
+// Distribute points of the shape we are going to delete
+void LORESModel::DistributePoint(const Point3D& point, size_t i)
+{
+ for (size_t k = i; k < shapes_.size(); ++k) {
+ assert(shapes_[k]->shape != NULL);
+ if (shapes_[k]->shape->IsInside(point)) {
+ shapes_[k]->points.push_back(point);
+ return;
+ }
+ }
+}
+
+void LORESModel::FillPoints(RealSpaceShape* real_shape, double sld)
+{
+ assert(real_shape != NULL);
+
+ GeoShape* shape = real_shape->shape;
+ assert(shape != NULL);
+
+ int npoints = static_cast<int>(density_ * shape->GetVolume());
+
+ for (int i = 0; i < npoints; ++i){
+ Point3D apoint = shape->GetAPoint(sld);
+ apoint.Transform(shape->GetOrientation(),shape->GetCenter());
+ if (!IsInside(apoint)){
+ real_shape->points.push_back(apoint);
+ }
+ }
+
+}
+
+bool LORESModel::IsInside(const Point3D& point)
+{
+ for (RealSpaceShapeCollection::const_iterator it = shapes_.begin();
+ it != shapes_.end(); ++it) {
+ const GeoShape* shape = (*it)->shape;
+ assert(shape != NULL);
+
+ if (shape->IsInside(point)) {
+ return true;
+ }
+ }
+
+ return false;
+}
+
+vector<double> LORESModel::GetCenter()
+{
+ //get the vector of centers from the list of shapes
+ size_t numshapes = 0;
+ double sumx = 0, sumy = 0, sumz = 0;
+ for (size_t m = 0; m < shapes_.size(); ++m){
+ assert(shapes_[m]->shape != NULL);
+ vector<double> center(3);
+ center = shapes_[m]->shape->GetCenter();
+
+ sumx += center[0];
+ sumy += center[1];
+ sumz += center[2];
+
+ ++numshapes;
+ }
+
+ vector<double> shapescenter(3);
+ shapescenter[0]= sumx/numshapes;
+ shapescenter[1]= sumy/numshapes;
+ shapescenter[2]= sumz/numshapes;
+
+ center_ = shapescenter;
+ return center_;
+}
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/lores_model.h b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/lores_model.h
new file mode 100644
index 0000000..8d5bd48
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/lores_model.h
@@ -0,0 +1,73 @@
+/** \file lores_model.h child class of PointsModel*/
+
+#ifndef LORESMODEL_H
+#define LORESMODEL_H
+
+#include <deque>
+#include "points_model.h"
+#include "geo_shape.h"
+//temporary
+#include <fstream>
+
+/**
+ * Class LORESModel, low resolution models
+ */
+
+class LORESModel : public PointsModel {
+ private:
+ typedef vector<Point3D> PointsVector;
+
+ struct RealSpaceShape {
+ GeoShape* shape;
+ PointsVector points;
+
+ RealSpaceShape(GeoShape* s = NULL) : shape(s) {
+ }
+
+ ~RealSpaceShape() {
+ if (shape) delete shape;
+ }
+ };
+
+ typedef deque<RealSpaceShape*> RealSpaceShapeCollection;
+
+ public:
+ LORESModel(double density = 1.0);
+ ~LORESModel();
+
+ // Change density
+ void SetDensity(double density);
+ double GetDensity();
+
+ // Add new shape
+ void Add(GeoShape& geo_shape, double sld = 1);
+
+ // Delete ith shape at shapes_
+ void Delete(size_t i);
+
+ int GetPoints(Point3DVector &);
+ //Write points to a file, mainly for testing right now
+ void WritePoints2File(Point3DVector &);
+
+ //get the maximum possible dimension
+ double GetDimBound();
+
+ //will be used in determining the maximum distance for
+ //P(r) calculation for a complex model (merge several
+ //pointsmodel instance together
+ vector<double> GetCenter();
+
+ protected:
+ GeoShape* GetGeoShape(GeoShape& geo_shape);
+ void FillPoints(RealSpaceShape* real_shape, double sld);
+ bool IsInside(const Point3D& point);
+ void DistributePoint(const Point3D& point, size_t i);
+
+ private:
+ RealSpaceShapeCollection shapes_;
+ int npoints_;
+ double density_;
+
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/pdb_model.cc b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/pdb_model.cc
new file mode 100644
index 0000000..34696c9
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/pdb_model.cc
@@ -0,0 +1,123 @@
+/** \file pdb_model.cc */
+
+#include "pdb_model.h"
+#include <fstream>
+#include <string>
+#include <cstdlib>
+#include <cmath>
+#include <stdexcept>
+
+using namespace std;
+
+typedef map<string,double>::const_iterator mymapitr;
+
+PDBModel::PDBModel(){
+ res_sld_["ALA"] = 1.645; res_sld_["ARG"] = 3.466;
+ res_sld_["ASN"] = 3.456; res_sld_["ASP"] = 3.845;
+ res_sld_["CYS"] = 1.930; res_sld_["GLU"] = 3.762;
+ res_sld_["GLN"] = 3.373; res_sld_["GLY"] = 1.728;
+ res_sld_["HIS"] = 4.959; res_sld_["LLE"] = 1.396;
+ res_sld_["LEU"] = 1.396; res_sld_["LYS"] = 1.586;
+ res_sld_["MET"] = 1.763; res_sld_["PHE"] = 4.139;
+ res_sld_["PRO"] = 2.227; res_sld_["SER"] = 2.225;
+ res_sld_["THR"] = 2.142; res_sld_["TRP"] = 6.035;
+ res_sld_["TYR"] = 4.719; res_sld_["VAL"] = 1.479;
+
+ x_max_ = -10000; x_min_ = 10000;
+ y_max_ = -10000; y_min_ = 10000;
+ z_max_ = -10000; z_min_ = 10000;
+}
+
+void PDBModel::AddPDB(const string &pdbfile)
+{
+ pdbnames_.push_back(pdbfile);
+}
+
+void PDBModel::AddPDB(const char* pdbfile)
+{
+ string sname(pdbfile);
+ pdbnames_.push_back(sname);
+}
+
+int PDBModel::GetPoints(Point3DVector &vp)
+{
+ if (vp.size() != 0){
+ throw runtime_error("PDBModel::GetPoints(Point3DVector &VP):VP has to be empty");
+ }
+ vector<string>::iterator itr;
+ for (itr = pdbnames_.begin(); itr!=pdbnames_.end(); ++itr){
+ ifstream infile(itr->c_str());
+ if (!infile){
+ cerr << "error: unable to open input file: "
+ << infile << endl;
+ }
+ string line;
+ while (getline(infile,line)){
+ size_t len = line.size();
+ string header;
+
+ //for a line with size >=4, retrieve the header
+ //if the header == "ATOM""
+ //make sure the length of the line >=54, then
+ //retrieve the corresponding coordinates,convert str to double
+ //then assign them to a point3d,which will be append to vp with a SLD
+ if (len >= 4){
+ for (size_t i=0; i !=4; ++i) header += line[i];
+ if (header.compare("ATOM") == 0 && len >53){
+ string strx,stry,strz;
+ double x = 0, y = 0, z = 0;
+ for (size_t j = 30; j!=38; ++j){
+ strx += line[j];
+ stry += line[j+8];
+ strz += line[j+16];
+ }
+ x = atof(strx.c_str());
+ y = atof(stry.c_str());
+ z = atof(strz.c_str());
+
+ //find residue type, and assign SLD
+ string resname;
+ for (size_t k = 17; k!=20; ++k) resname +=line[k];
+ mymapitr itr = res_sld_.find("ALA");
+
+ //apoint(x,y,z,sld)
+ Point3D apoint(x,y,z,itr->second);
+ vp.push_back(apoint);
+
+ //save x y z' max & min to calculate the size boundary
+ x_max_ = x > x_max_ ? x : x_max_;
+ x_min_ = x < x_min_ ? x : x_min_;
+ y_max_ = y > y_max_ ? y : y_max_;
+ y_min_ = y < y_min_ ? y : y_min_;
+ z_max_ = z > z_max_ ? z : z_max_;
+ z_min_ = z < z_min_ ? z : z_min_;
+ }
+ }
+ }
+
+ infile.close();
+ }
+ return vp.size();
+}
+
+double PDBModel::GetDimBound()
+{
+ if (pdbnames_.size() == 0 )
+ return 0;
+
+ //cout <<x_max_<<" "<<x_min_<<" "<<y_max_<<" "<<y_min_<<" "<<z_max_<<" "<<z_min_<<endl;
+ double size = sqrt((x_max_-x_min_)*(x_max_-x_min_)+(y_max_-y_min_)*(y_max_-y_min_)+(z_max_-z_min_)*(z_max_-z_min_));
+ return size;
+}
+
+vector<double> PDBModel::GetCenter()
+{
+
+ vector<double> cen(3);
+ cen[0]= (x_max_+x_min_)/2;
+ cen[1]= (y_max_+y_min_)/2;
+ cen[2]= (z_max_+z_min_)/2;
+ center_ = cen;
+
+ return center_;
+}
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/pdb_model.h b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/pdb_model.h
new file mode 100644
index 0000000..a6e2f6a
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/pdb_model.h
@@ -0,0 +1,43 @@
+/** \file pdb_model.h child class of PointsModel */
+
+#ifndef PDB_MODEL_H
+#define PDB_MODEL_H
+
+#include "points_model.h"
+#include <string>
+#include <map>
+
+/**
+ * Class PDBModel, PDB models
+ */
+
+class PDBModel : public PointsModel {
+ public:
+ PDBModel();
+
+ //add pdb file
+ void AddPDB(const string &);
+ void AddPDB(const char*);
+
+ //Parse all coordinates from ATOM section
+ //of the PDB file into vector of points
+ int GetPoints(Point3DVector &);
+
+ //will be used in determining the maximum distance for
+ //P(r) calculation for a complex model (merge several
+ //pointsmodel instance together
+ vector<double> GetCenter();
+
+ //get the maximum possible dimension= dist between XYZmax XYZmin
+ //May improve to directly get the dimension from unit cell
+ //if the technique is crystallography
+ double GetDimBound();
+
+ private:
+ vector<string> pdbnames_;
+ map<string,double> res_sld_;
+ double x_max_,x_min_,y_max_,y_min_,z_max_,z_min_;
+};
+
+#endif
+
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/points_model.cc b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/points_model.cc
new file mode 100644
index 0000000..4b014e1
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/points_model.cc
@@ -0,0 +1,461 @@
+/** \file points_model.cc */
+
+#include <vector>
+#include <algorithm>
+#include <fstream>
+#include <stdio.h>
+//#include <exception>
+#include <stdexcept>
+#include "points_model.h"
+#include "Point3D.h"
+
+PointsModel::PointsModel()
+{
+ r_grids_num_ = 2000;
+ rmax_ = 0;
+ cormax_ = 0;
+ rstep_ = 0;
+}
+
+void PointsModel::CalculateIQ(IQ *iq)
+{
+ //fourier transform of the returned Array2D<double> from ddFunction()
+ int nIpoints = iq->GetNumI();
+ double qstep = (iq->GetQmax()) / (nIpoints-1);
+ vector<double> fint(nIpoints, 0);
+
+ //I(0) is calculated seperately
+ int num_rstep = pr_.dim1();
+
+ for (int k = 1; k<nIpoints; k++){
+
+ double q = k * qstep;
+
+ double r =0;
+ double debeye = 0;
+ double fadd =0;
+
+
+ for (int i = 1; i < num_rstep; ++i){
+ r = i*rstep_; //r should start from 1* rstep
+ double qr = q*r;
+ debeye = sin(qr)/qr;
+ fadd = pr_[i][1]*debeye;
+ fint[k] = fint[k] + fadd;
+ }
+ }
+
+ //I(0)
+ double Izero = 0;
+ for (int i = 0; i < num_rstep; ++i)
+ Izero += pr_[i][1];
+ fint[0] = Izero;
+
+ //assign I(Q) with normalization
+ for(int j = 0; j < nIpoints; ++j){
+ (*iq).iq_data[j][0] = j * qstep;
+ (*iq).iq_data[j][1] = fint[j];
+ // remove normalization Izero;
+ }
+}
+
+//return I with a single q value
+double PointsModel::CalculateIQ(double q)
+{
+ //fourier transform of the returned Array2D<double> from ddFunction()
+ int num_rstep = pr_.dim1();
+
+ double r =0;
+ double debeye = 0;
+ double fadd = 0;
+ double Irelative = 0;
+
+ //I(0) is calculated seperately
+ if (q == 0){
+ //I(0)
+ double Izero = 0;
+ for (int i = 0; i < num_rstep; ++i)
+ Izero += pr_[i][1];
+ Irelative = Izero;
+ }
+ else {
+ for (int i = 1; i < num_rstep; ++i){
+ r = i*rstep_; //r should start from 1* rstep
+ double qr = q*r;
+ debeye = sin(qr)/qr;
+ fadd = pr_[i][1]*debeye;
+ Irelative = Irelative + fadd;
+ }
+ }
+ return Irelative;
+}
+
+double PointsModel::CalculateIQError(double q)
+{
+ //fourier transform of the returned Array2D<double> from ddFunction()
+ int num_rstep = pr_.dim1();
+
+ double r =0;
+ double debeye = 0;
+ double fadd = 0;
+ double Irelative = 0;
+
+ //I(0) is calculated seperately
+ for (int i = 1; i < num_rstep; ++i){
+ r = i*rstep_; //r should start from 1* rstep
+ double qr = q*r;
+ debeye = sin(qr)/qr;
+ fadd = fabs(pr_[i][2])*debeye*debeye
+ + rstep_*rstep_/4.0/r/r*(cos(qr)*cos(qr) + debeye*debeye);
+ Irelative = Irelative + fadd;
+ }
+ return sqrt(Irelative);
+}
+
+//pass in a vector of points, and calculate the P(r)
+double PointsModel::DistDistribution(const vector<Point3D> &vp)
+{
+ //get r axis:0,rstep,2rstep,3rstep......d_bound
+ int sizeofpr = r_grids_num_ + 1; //+1 just for overflow prevention
+
+ double d_bound = GetDimBound();
+ rstep_ = CalculateRstep(r_grids_num_,d_bound);
+
+ Array2D<double> pr(sizeofpr, 3); //third column is left for error for the future
+ pr = 0;
+
+ for (int i = 1; i != sizeofpr; ++i)
+ pr[i][0] = pr[i-1][0] + rstep_ ; //column 1: distance
+
+ int size = vp.size();
+
+ for (int i1 = 0; i1 < size - 1; ++i1) {
+ for (int i2 = i1 + 1; i2 < size; ++i2) {
+ //dist_.push_back(vp[i1].distanceToPoint(vp[i2]));
+ //product_sld_.push_back(vp[i1].getSLD() * vp[i2].getSLD());
+ double a_dist = vp[i1].distanceToPoint(vp[i2]);
+ double its_sld = vp[i1].getSLD() * vp[i2].getSLD();
+
+ //save maximum distance
+ if (a_dist>rmax_) {
+ rmax_ = a_dist;
+ }
+ //insert into pr array
+ int l = int(floor(a_dist/rstep_));
+
+ //cout << "i1,i2,l,a_dist"<<vp[i1]<<" "<<vp[i2]<<" "<<l<<" "<<a_dist<<endl;
+ //overflow check
+ if (l >= sizeofpr) {
+ cerr << "one distance is out of range: " << l <<endl;
+ //throw "Out of range";
+ }
+ else {
+ pr[l][1] += its_sld; //column 2 intermediate: sum of SLD of the points with specific distance
+ // Estimate uncertainty (squared)
+ pr[l][2] += its_sld*its_sld;
+ //keep maxium Pr absolute number, in order to normalize
+ //if (pr[l][1] > cormax_) cormax_ = pr[l][1];
+ }
+ }
+ }
+
+ //normalize Pr
+ for (int j = 0; j != sizeofpr; ++j){ //final column2 for P(r)
+ //pr[j][1] = pr[j][1]/cormax_;
+
+ // 'Size' is the number of space points, without double counting (excluding
+ // overlapping regions between shapes). The volume of the combined shape
+ // is given by V = size * (sum of all sub-volumes) / (Total number of points)
+ // V = size / (lores_density)
+
+ // - To transform the integral to a sum, we need to give a weight
+ // to each entry equal to the average space volume of a point (w = V/N = 1/lores_density).
+ // The final output, I(q), should therefore be multiplied by V*V/N*N.
+ // Since we will be interested in P(r)/V, we only need to multiply by 1/N*(V/N) = 1/N/lores_density.
+ // We don't have access to lores_density from this class; we will therefore apply
+ // this correction externally.
+ //
+ // - Since the loop goes through half the points, multiply by 2.
+ // TODO: have access to lores_density from this class.
+ //
+ pr[j][1] = 2.0*pr[j][1]/size;
+ pr[j][2] = 4.0*pr[j][2]/size/size;
+ }
+ pr_ = pr;
+
+ return rmax_;
+}
+
+Array2D<double> PointsModel::GetPr()
+{
+ return pr_;
+}
+
+
+double PointsModel::CalculateRstep(int num_grids, double rmax)
+{
+ assert(num_grids > 0);
+
+ double rstep;
+ rstep = rmax / num_grids;
+
+ return rstep;
+}
+
+void PointsModel::OutputPR(const string &fpr){
+ ofstream outfile(fpr.c_str());
+ if (!outfile) {
+ cerr << "error: unable to open output file: "
+ << outfile << endl;
+ exit(1);
+ }
+
+ double sum = 0.0;
+ double r_stepsize = 1.0;
+ if (pr_.dim1()>2) r_stepsize = pr_[1][0] - pr_[0][0];
+
+ for (int i = 0; i < pr_.dim1(); ++i){
+ sum += pr_[i][1]*r_stepsize;
+ }
+
+ for (int i = 0; i < pr_.dim1(); ++i){
+ if (pr_[i][1]==0) continue;
+ outfile << pr_[i][0] << " " << (pr_[i][1]/sum) << endl;
+ }
+}
+
+void PointsModel::OutputPDB(const vector<Point3D> &vp,const char *fpr){
+ FILE *outfile=NULL;
+ outfile = fopen(fpr,"w+");
+ if (!outfile) {
+ cerr << "error: unable to open output file: "
+ << outfile << endl;
+ exit(1);
+ }
+ int size = vp.size();
+ int index = 0;
+ for (int i = 0; i < size; ++i){
+ ++index;
+ fprintf(outfile,"ATOM%7d C%24.3lf%8.3lf%8.3lf%6.3lf\n", \
+ index,vp[i].getX(),vp[i].getY(),vp[i].getZ(),vp[i].getSLD());
+ }
+ fclose(outfile);
+}
+
+PointsModel::~PointsModel()
+{
+}
+
+void PointsModel::DistDistributionXY(const vector<Point3D> &vp)
+{
+ //the max box get from 3D should be more than enough for 2D,but doesn't hurt
+ double d_bound = GetDimBound();
+
+ //using 1A for rstep, so the total bins is the max distance for the object
+ int sizeofpr = ceil(d_bound) + 1; //+1 just for overflow prevention
+ rstep_ = 1;
+
+ Array2D<double> pr_xy(sizeofpr,sizeofpr); //2D histogram
+
+ //the max frequency in the correlation histogram
+ double cormax_xy_ = 0;
+
+ //initialization
+ pr_xy = 0;
+
+ for (int i = 1; i != sizeofpr; ++i){
+ pr_xy[i][0] = pr_xy[i-1][0] + rstep_ ; //column 1: distance
+ }
+
+ int size = vp.size();
+
+ for (int i1 = 0; i1 < size - 1; ++i1) {
+ for (int i2 = i1 + 1; i2 < size; ++i2) {
+ int jx = int(floor(fabs(vp[i1].getX()-vp[i2].getX())/rstep_));
+ int jy = int(floor(fabs(vp[i1].getY()-vp[i2].getY())/rstep_));
+ //the sld for the pair of points
+ double its_sld = vp[i1].getSLD()*vp[i2].getSLD();
+
+ //overflow check
+ if ((jx >= sizeofpr) || (jy >= sizeofpr))
+ {
+ cerr << "one distance is out of range: " <<endl;
+ //throw "Out of range";
+ }
+ else{
+ pr_xy[jx][jy] += its_sld;
+ if (pr_xy[jx][jy] > cormax_xy_ ) cormax_xy_ = pr_xy[jx][jy];
+ }
+ }
+ }
+
+ //normalize Pr_xy
+ for (int m = 0; m != sizeofpr; ++m){ //final column2 for P(r)
+ for (int n = 0; n != sizeofpr; ++n){
+ pr_xy[m][n] = pr_xy[m][n]/cormax_xy_;
+ //cout << "m n:"<<m<<" "<<n<<" "<<pr_xy[m][n]<<endl;
+ }
+ }
+
+ pr_xy_ = pr_xy;
+}
+
+void PointsModel::OutputPR_XY(const std::string &fpr)
+{
+ ofstream outfile(fpr.c_str());
+ if (!outfile) {
+ cerr << "error: unable to open output file: "
+ << outfile << endl;
+ exit(1);
+ }
+ int size = pr_xy_.dim1();
+ //pr_xy_ is a N x N array
+ for (int i = 0; i != size; ++i){
+ for (int j = 0; j != size; ++j)
+ {
+ outfile << i << " " << j <<" "<< pr_xy_[i][j] << endl;
+ }
+ }
+}
+
+void PointsModel::CalculateIQ_2D(IQ *iq,double phi)
+{
+ int nIpoints = iq->GetNumI();
+ double qstep = (iq->GetQmax()) / (nIpoints-1);
+ vector<double> fint(nIpoints, 0);
+ double Izero = 0;
+
+ //number of bins on x and y axis
+ int size_r = pr_xy_.dim1();
+ //rstep is set to one, otherwise should be cos(phi)*rstep
+ double cosphi = cos(phi);
+ double sinphi = sin(phi);
+
+ for(int k = 1; k != nIpoints; ++k){
+ double q = k * qstep;
+ double tmp = cos(q*(cosphi+sinphi));
+
+ for(int i=0; i!=size_r; ++i){
+ for(int j = 0; j!=size_r; ++j){
+ fint[k] += pr_xy_[i][j]*tmp;
+ }
+ }
+ }
+
+ for(int i=0; i!=size_r; ++i){
+ for(int j = 0; j!=size_r; ++j){
+ Izero += pr_xy_[i][j];
+ }
+ }
+ fint[0] = Izero;
+
+ //assign I(Q) with normalization
+ for(int j = 0; j < nIpoints; ++j){
+ (*iq).iq_data[j][0] = j * qstep;
+ (*iq).iq_data[j][1] = fint[j] / Izero;
+ }
+}
+
+vector<double> PointsModel::GetCenter()
+{
+ vector<double> vp(3,0);
+ return vp;
+}
+
+double PointsModel::CalculateIQ_2D(double qx, double qy)
+{
+ //for each (Qx,Qy) on 2D detector, calculate I
+ double q = sqrt(qx*qx+qy*qy);
+ double I = 0;
+
+ double cosphi = qx/q;
+ double sinphi = qy/q;
+ double tmp = cos(q*(cosphi+sinphi));
+
+ //loop through P(r) on xy plane
+ int size_r = pr_xy_.dim1();
+ for(int i=-size_r+1; i!=size_r; ++i){
+ for(int j = -size_r+1; j!=size_r; ++j){
+ //rstep is set to one, left out from calculation
+ I += pr_xy_[abs(i)][abs(j)]*cos(q*(cosphi*i+sinphi*j));
+ }
+ }
+
+ //return I, without normalization
+ return I;
+}
+
+/*
+ * 2D simulation for oriented systems
+ * The beam direction is assumed to be in the z direction.
+ *
+ * @param points: vector of space points
+ * @param qx: qx [A-1]
+ * @param qy: qy [A-1]
+ * @return: I(qx, qy) for the system described by the space points [cm-1]
+ *
+ */
+double PointsModel::CalculateIQ_2D(const vector<Point3D>&points, double qx, double qy){
+ /*
+ * TODO: the vector of points should really be part of the class
+ * This is a design flaw inherited from the original programmer.
+ */
+
+ int size = points.size();
+
+ double cos_term = 0;
+ double sin_term = 0;
+ for (int i = 0; i < size; i++) {
+ //the sld for the pair of points
+
+ double phase = qx*points[i].getX() + qy*points[i].getY();
+
+ cos_term += cos(phase) * points[i].getSLD();
+ sin_term += sin(phase) * points[i].getSLD();
+
+ }
+
+ // P(q) = 1/V I(q) = (V/N)^2 (1/V) (cos_term^2 + sin_term^2)
+ // We divide by N here and we will multiply by the density later.
+
+ return (cos_term*cos_term + sin_term*sin_term)/size;
+}
+
+double PointsModel::CalculateIQ_2D_Error(const vector<Point3D>&points, double qx, double qy){
+
+ int size = points.size();
+
+ double delta_x, delta_y;
+ double q_t2 = qx*qx + qy*qy;
+ double cos_term = 0;
+ double sin_term = 0;
+ double cos_err = 0;
+ double sin_err = 0;
+
+ // Estimate the error on the position of each point
+ // in x or y as V^(1/3)/N
+
+ for (int i = 0; i < size; i++) {
+
+
+ //the sld for the pair of points
+
+ double phase = qx*points[i].getX() + qy*points[i].getY();
+ double sld_fac = points[i].getSLD() * points[i].getSLD();
+
+ cos_term += cos(phase) * points[i].getSLD();
+ sin_term += sin(phase) * points[i].getSLD();
+
+ sin_err += cos(phase) * cos(phase) * sld_fac;
+ cos_err += sin(phase) * sin(phase) * sld_fac;
+
+ }
+
+ // P(q) = 1/V I(q) = (V/N)^2 (1/V) (cos_term^2 + sin_term^2)
+ // We divide by N here and we will multiply by the density later.
+
+ // We will need to multiply this error by V^(1/3)/N.
+ // We don't have access to V from within this class.
+ return 2*sqrt(cos_term*cos_term*cos_err*cos_err + sin_term*sin_term*sin_err*sin_err)/size;
+}
+
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/points_model.h b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/points_model.h
new file mode 100644
index 0000000..daab8e0
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/libpointsmodelpy/points_model.h
@@ -0,0 +1,61 @@
+/** \file points_model.h child class of SASmodel*/
+
+#ifndef POINTSMODEL_H
+#define POINTSMODEL_H
+
+#include <vector>
+#include "tnt/tnt.h"
+#include <string>
+#include "Point3D.h"
+#include "iq.h"
+#include "sas_model.h"
+
+using namespace std;
+
+class PointsModel : public SASModel{
+ public:
+ PointsModel();
+ virtual ~PointsModel();
+
+ void CalculateIQ(IQ *iq);
+ double CalculateIQ(double q);
+ double CalculateIQError(double q);
+
+ // Old lengthy 2D simulation (unchecked)
+ void CalculateIQ_2D(IQ *iq,double phi);
+ double CalculateIQ_2D(double qx, double qy);
+
+ // Fast 2D simulation
+ double CalculateIQ_2D(const vector<Point3D>&, double qx, double qy);
+ double CalculateIQ_2D_Error(const vector<Point3D>&, double qx, double qy);
+
+ //given a set of points, calculate distance correlation
+ //function, and return the max dist
+ double DistDistribution(const vector<Point3D>&);
+ void DistDistributionXY(const vector<Point3D>&);
+
+ Array2D<double> GetPr();
+ void OutputPR(const std::string &);
+ void OutputPR_XY(const std::string &);
+
+ virtual int GetPoints(Point3DVector &) = 0;
+ void OutputPDB(const vector<Point3D>&,const char*);
+
+ //will be used in calculating P(r), the maximum distance
+ virtual double GetDimBound() = 0;
+ //will be used to determin the maximum distance for
+ //several pointsmodel instances
+ virtual vector<double> GetCenter();
+
+ protected:
+ double CalculateRstep(int num_points, double rmax);
+ double rmax_, rstep_,cormax_,cormax_xy_;
+ int r_grids_num_;
+ vector<double> center_;
+
+ private:
+ Array2D<double> pr_,pr_xy_;
+ vector<double> product_sld_;
+};
+
+#endif
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpy/Make.mm b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpy/Make.mm
new file mode 100644
index 0000000..ba5da64
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpy/Make.mm
@@ -0,0 +1,35 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = pointsmodelpy
+PACKAGE = pointsmodelpy
+
+#--------------------------------------------------------------------------
+#
+
+all: export
+
+
+#--------------------------------------------------------------------------
+#
+# export
+
+EXPORT_PYTHON_MODULES = \
+ __init__.py
+
+
+export:: export-python-modules
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpy/__init__.py b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpy/__init__.py
new file mode 100644
index 0000000..0c1f1db
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpy/__init__.py
@@ -0,0 +1,21 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+def copyright():
+ return "pointsmodelpy pyre module: Copyright (c) 1998-2005 Michael A.G. Aivazis";
+
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/Make.mm b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/Make.mm
new file mode 100644
index 0000000..980f1cd
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/Make.mm
@@ -0,0 +1,32 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+PROJECT = SASsimulation
+PACKAGE = pointsmodelpymodule
+MODULE = pointsmodelpy
+
+include std-pythonmodule.def
+include local.def
+
+PROJ_CXX_SRCLIB = -lpointsmodelpy -lgeoshapespy -liqPy
+
+PROJ_SRCS = \
+ bindings.cc \
+ exceptions.cc \
+ misc.cc
+
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/bindings.cc b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/bindings.cc
new file mode 100644
index 0000000..981f445
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/bindings.cc
@@ -0,0 +1,166 @@
+// -*- C++ -*-
+// @copyright: University of Tennessee, for the DANSE project
+
+//#include <portinfo>
+#include <Python.h>
+
+#include "bindings.h"
+
+#include "misc.h" // miscellaneous methods
+
+// the method table
+
+struct PyMethodDef pypointsmodelpy_methods[] = {
+
+ // new_loresmodel
+ {pypointsmodelpy_new_loresmodel__name__, pypointsmodelpy_new_loresmodel,
+ METH_VARARGS, pypointsmodelpy_new_loresmodel__doc__},
+
+ // LORESModel method:add(geoshape,sld)
+ {pypointsmodelpy_lores_add__name__, pypointsmodelpy_lores_add,
+ METH_VARARGS, pypointsmodelpy_lores_add__doc__},
+
+ // LORESModel method:GetPoints(vector<Point3D> &)
+ {pypointsmodelpy_get_lorespoints__name__, pypointsmodelpy_get_lorespoints,
+ METH_VARARGS, pypointsmodelpy_get_lorespoints__doc__},
+
+ // new_pdbmodel
+ {pypointsmodelpy_new_pdbmodel__name__, pypointsmodelpy_new_pdbmodel,
+ METH_VARARGS, pypointsmodelpy_new_pdbmodel__doc__},
+
+ // PDBModel method: AddPDB(const char*)
+ {pypointsmodelpy_pdbmodel_add__name__, pypointsmodelpy_pdbmodel_add,
+ METH_VARARGS, pypointsmodelpy_pdbmodel_add__doc__},
+
+ // PDBModel method: GetPoints(Point3DVector &)
+ {pypointsmodelpy_get_pdbpoints__name__, pypointsmodelpy_get_pdbpoints,
+ METH_VARARGS, pypointsmodelpy_get_pdbpoints__doc__},
+
+ // new_complexmodel
+ {pypointsmodelpy_new_complexmodel__name__, pypointsmodelpy_new_complexmodel,
+ METH_VARARGS, pypointsmodelpy_new_complexmodel__doc__},
+
+ // ComplexModel method: Add(PointsModel *)
+ {pypointsmodelpy_complexmodel_add__name__, pypointsmodelpy_complexmodel_add,
+ METH_VARARGS, pypointsmodelpy_complexmodel_add__doc__},
+
+ // ComplexModel method: GetPoints(Point3DVector &)
+ {pypointsmodelpy_get_complexpoints__name__, pypointsmodelpy_get_complexpoints,
+ METH_VARARGS, pypointsmodelpy_get_complexpoints__doc__},
+
+ //new_point3dvec
+ {pypointsmodelpy_new_point3dvec__name__, pypointsmodelpy_new_point3dvec,
+ METH_VARARGS, pypointsmodelpy_new_point3dvec__doc__},
+
+ //fillpoints
+ //{pypointsmodelpy_fillpoints__name__, pypointsmodelpy_fillpoints,
+ //METH_VARARGS, pypointsmodelpy_fillpoints__doc__},
+
+ //distdistribution calculation for LORES model
+ {pypointsmodelpy_get_lores_pr__name__, pypointsmodelpy_get_lores_pr,
+ METH_VARARGS, pypointsmodelpy_get_lores_pr__doc__},
+
+ //distdistribution 2D (on xy plane)
+ {pypointsmodelpy_distdistribution_xy__name__, pypointsmodelpy_distdistribution_xy,
+ METH_VARARGS, pypointsmodelpy_distdistribution_xy__doc__},
+
+ //distdistribution calculation for PDB model
+ {pypointsmodelpy_get_pdb_pr__name__, pypointsmodelpy_get_pdb_pr,
+ METH_VARARGS, pypointsmodelpy_get_pdb_pr__doc__},
+
+ //distdistribution calculation on XY plane for PDB model
+ {pypointsmodelpy_get_pdb_pr_xy__name__, pypointsmodelpy_get_pdb_pr_xy,
+ METH_VARARGS, pypointsmodelpy_get_pdb_pr_xy__doc__},
+
+ //distdistribution calculation for Complex model
+ {pypointsmodelpy_get_complex_pr__name__, pypointsmodelpy_get_complex_pr,
+ METH_VARARGS, pypointsmodelpy_get_complex_pr__doc__},
+
+ //calculateIQ
+ {pypointsmodelpy_get_lores_iq__name__, pypointsmodelpy_get_lores_iq,
+ METH_VARARGS, pypointsmodelpy_get_lores_iq__doc__},
+
+ //calculateI(single Q)
+ {pypointsmodelpy_get_lores_i__name__, pypointsmodelpy_get_lores_i,
+ METH_VARARGS, pypointsmodelpy_get_lores_i__doc__},
+
+ //calculateI(single Q)
+ {pypointsmodelpy_get_complex_i__name__, pypointsmodelpy_get_complex_i,
+ METH_VARARGS, pypointsmodelpy_get_complex_i__doc__},
+
+ //calculateI(single Q)
+ {pypointsmodelpy_get_complex_i_error__name__, pypointsmodelpy_get_complex_i_error,
+ METH_VARARGS, pypointsmodelpy_get_complex_i_error__doc__},
+
+ //calculateIQ 2D
+ {pypointsmodelpy_calculateIQ_2D__name__, pypointsmodelpy_calculateIQ_2D,
+ METH_VARARGS, pypointsmodelpy_calculateIQ_2D__doc__},
+
+ //calculateIQ 2D(points, Qx,Qy)
+ {pypointsmodelpy_calculateI_Qvxy__name__, pypointsmodelpy_calculateI_Qvxy,
+ METH_VARARGS, pypointsmodelpy_calculateI_Qvxy__doc__},
+
+ //calculateIQ 2D(Qx,Qy)
+ {pypointsmodelpy_calculateI_Qxy__name__, pypointsmodelpy_calculateI_Qxy,
+ METH_VARARGS, pypointsmodelpy_calculateI_Qxy__doc__},
+
+ //PDBModel calculateIQ
+ {pypointsmodelpy_get_pdb_iq__name__, pypointsmodelpy_get_pdb_iq,
+ METH_VARARGS, pypointsmodelpy_get_pdb_iq__doc__},
+
+ //PDBModel calculateIQ(Qx,Qy)
+ {pypointsmodelpy_get_pdb_Iqxy__name__, pypointsmodelpy_get_pdb_Iqxy,
+ METH_VARARGS, pypointsmodelpy_get_pdb_Iqxy__doc__},
+
+ //PDBModel calculateIQ(pts,Qx,Qy)
+ {pypointsmodelpy_get_pdb_Iqvxy__name__, pypointsmodelpy_get_pdb_Iqvxy,
+ METH_VARARGS, pypointsmodelpy_get_pdb_Iqvxy__doc__},
+
+ //ComplexModel calculateIQ(pts,Qx,Qy)
+ {pypointsmodelpy_get_complex_Iqxy__name__, pypointsmodelpy_get_complex_Iqxy,
+ METH_VARARGS, pypointsmodelpy_get_complex_Iqxy__doc__},
+
+ //ComplexModel calculateIQ_2D_Error(pts,Qx,Qy)
+ {pypointsmodelpy_get_complex_Iqxy_err__name__, pypointsmodelpy_get_complex_Iqxy_err,
+ METH_VARARGS, pypointsmodelpy_get_complex_Iqxy_err__doc__},
+
+ //ComplexModel calculateIQ
+ {pypointsmodelpy_get_complex_iq__name__, pypointsmodelpy_get_complex_iq,
+ METH_VARARGS, pypointsmodelpy_get_complex_iq__doc__},
+
+ //outputPR
+ {pypointsmodelpy_outputPR__name__, pypointsmodelpy_outputPR,
+ METH_VARARGS, pypointsmodelpy_outputPR__doc__},
+
+ //getPR
+ {pypointsmodelpy_getPR__name__, pypointsmodelpy_getPR,
+ METH_VARARGS, pypointsmodelpy_getPR__doc__},
+
+ //outputPR_xy
+ {pypointsmodelpy_outputPR_xy__name__, pypointsmodelpy_outputPR_xy,
+ METH_VARARGS, pypointsmodelpy_outputPR_xy__doc__},
+
+ //PDBModel outputPR
+ {pypointsmodelpy_save_pdb_pr__name__, pypointsmodelpy_save_pdb_pr,
+ METH_VARARGS, pypointsmodelpy_save_pdb_pr__doc__},
+
+ //ComplexModel outputPR
+ {pypointsmodelpy_save_complex_pr__name__, pypointsmodelpy_save_complex_pr,
+ METH_VARARGS, pypointsmodelpy_save_complex_pr__doc__},
+
+ //outputPDB
+ {pypointsmodelpy_outputPDB__name__, pypointsmodelpy_outputPDB,
+ METH_VARARGS, pypointsmodelpy_outputPDB__doc__},
+
+ {pypointsmodelpy_copyright__name__, pypointsmodelpy_copyright,
+ METH_VARARGS, pypointsmodelpy_copyright__doc__},
+
+
+// Sentinel
+ {0, 0}
+};
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/bindings.h b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/bindings.h
new file mode 100644
index 0000000..785b0ca
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/bindings.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pypointsmodelpy_bindings_h)
+#define pypointsmodelpy_bindings_h
+
+// the method table
+
+extern struct PyMethodDef pypointsmodelpy_methods[];
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/exceptions.cc b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/exceptions.cc
new file mode 100644
index 0000000..5af3d78
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/exceptions.cc
@@ -0,0 +1,22 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+#include <Python.h>
+
+PyObject *pypointsmodelpy_runtimeError = 0;
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/exceptions.h b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/exceptions.h
new file mode 100644
index 0000000..1cbed0a
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/exceptions.h
@@ -0,0 +1,26 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+#if !defined(pypointsmodelpy_exceptions_h)
+#define pypointsmodelpy_exceptions_h
+
+// exceptions
+
+extern PyObject *pypointsmodelpy_runtimeError;
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/local.def b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/local.def
new file mode 100644
index 0000000..181a06c
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/local.def
@@ -0,0 +1,26 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+# C++
+
+ PROJ_CXX_INCLUDES = .. \
+ ../libpointsmodelpy \
+ ../../analmodelpy/libanalmodelpy \
+ ../../geoshapespy/libgeoshapespy \
+ ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/misc.cc b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/misc.cc
new file mode 100644
index 0000000..91ed99e
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/misc.cc
@@ -0,0 +1,806 @@
+// -*- C++ -*-
+#include <Python.h>
+
+#include <vector>
+#include <cstring>
+#include <stdexcept>
+#include "Point3D.h"
+#include "misc.h"
+#include "lores_model.h"
+#include "pdb_model.h"
+#include "complex_model.h"
+#include "geo_shape.h"
+#include "iq.h"
+
+// copyright
+
+char pypointsmodelpy_copyright__doc__[] = "";
+char pypointsmodelpy_copyright__name__[] = "copyright";
+
+static char pypointsmodelpy_copyright_note[] =
+ "pointsmodelpy python module: Copyright (c) 2007 University of Tennessee";
+
+
+PyObject * pypointsmodelpy_copyright(PyObject *, PyObject *)
+{
+ return Py_BuildValue("s", pypointsmodelpy_copyright_note);
+}
+
+// new_loresmodel
+//wrapper for LORESModel constructor LORESModel(double density)
+
+char pypointsmodelpy_new_loresmodel__doc__[] = "Low-resolution shapes:real space geometric complex models";
+char pypointsmodelpy_new_loresmodel__name__[] = "new_loresmodel";
+
+PyObject * pypointsmodelpy_new_loresmodel(PyObject *, PyObject *args)
+{
+ double density = 0;
+
+ int ok = PyArg_ParseTuple(args, "d",&density);
+ if(!ok) return NULL;
+
+ LORESModel *newlores = new LORESModel(density);
+ return PyCObject_FromVoidPtr(newlores, PyDelLores);
+}
+
+void PyDelLores(void *ptr){
+ LORESModel * oldlores = static_cast<LORESModel *>(ptr);
+ delete oldlores;
+ return;
+}
+
+//LORESModel methods add(GeoShape &, double sld)
+char pypointsmodelpy_lores_add__name__[] = "lores_add";
+char pypointsmodelpy_lores_add__doc__[] = "loresmodel method:add(Geoshape &,sld)";
+
+PyObject * pypointsmodelpy_lores_add(PyObject *, PyObject *args){
+ double sld = 1;
+ PyObject *pyloresmodel = 0, *pyshape = 0;
+ int ok = PyArg_ParseTuple(args, "OOd", &pyloresmodel, &pyshape, &sld);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyloresmodel);
+ void *temp2 = PyCObject_AsVoidPtr(pyshape);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ GeoShape * thisshape = static_cast<GeoShape *>(temp2);
+
+ thislores->Add(*thisshape, sld);
+
+ return Py_BuildValue("i", 0);
+}
+
+//LORESModel methods GetPoints(vector<Point3D> &)
+char pypointsmodelpy_get_lorespoints__name__[] = "get_lorespoints";
+char pypointsmodelpy_get_lorespoints__doc__[] = "get the points from the lores model";
+
+PyObject * pypointsmodelpy_get_lorespoints(PyObject *, PyObject *args){
+ PyObject *pyloresmodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pyloresmodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyloresmodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ int npts = thislores->GetPoints(*thisvec);
+ //temporary
+ thislores->WritePoints2File(*thisvec);
+ return Py_BuildValue("i", npts);
+}
+
+// new_pdbmodel
+//wrapper for PDBModel constructor PDBModel()
+
+char pypointsmodelpy_new_pdbmodel__doc__[] = "PDB model: contain atomic coordinate from PDB file & Scattering length density";
+char pypointsmodelpy_new_pdbmodel__name__[] = "new_pdbmodel";
+
+PyObject * pypointsmodelpy_new_pdbmodel(PyObject *, PyObject *args)
+{
+ PDBModel *newpdb = new PDBModel();
+ return PyCObject_FromVoidPtr(newpdb, PyDelPDB);
+}
+
+void PyDelPDB(void *ptr){
+ PDBModel * oldpdb = static_cast<PDBModel *>(ptr);
+ delete oldpdb;
+ return;
+}
+
+//PDBModel methods AddPDB(char * pdbfile)
+char pypointsmodelpy_pdbmodel_add__name__[] = "pdbmodel_add";
+char pypointsmodelpy_pdbmodel_add__doc__[] = "Add a structure from PDB";
+
+PyObject * pypointsmodelpy_pdbmodel_add(PyObject *, PyObject *args){
+ PyObject *pypdbmodel = 0;
+ char * pdbfile;
+
+ int ok = PyArg_ParseTuple(args, "Os", &pypdbmodel, &pdbfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pypdbmodel);
+
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+
+ thispdb->AddPDB(pdbfile);
+
+ return Py_BuildValue("i", 0);
+}
+
+//PDBModel methods GetPoints(Point3DVector &)
+char pypointsmodelpy_get_pdbpoints__name__[] = "get_pdbpoints";
+char pypointsmodelpy_get_pdbpoints__doc__[] = "Get atomic points from pdb with SLD";
+
+PyObject * pypointsmodelpy_get_pdbpoints(PyObject *, PyObject *args){
+ PyObject *pypdbmodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pypdbmodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pypdbmodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ int npts = thispdb->GetPoints(*thisvec);
+
+ return Py_BuildValue("i", npts);
+}
+
+// new_complexmodel
+//wrapper for ComplexModel constructor ComplexModel()
+
+char pypointsmodelpy_new_complexmodel__doc__[] = "COMPLEX model: contain LORES and PDB models";
+char pypointsmodelpy_new_complexmodel__name__[] = "new_complexmodel";
+
+PyObject * pypointsmodelpy_new_complexmodel(PyObject *, PyObject *args)
+{
+ ComplexModel *newcomplex = new ComplexModel();
+ return PyCObject_FromVoidPtr(newcomplex, PyDelComplex);
+}
+
+void PyDelComplex(void *ptr){
+ ComplexModel * oldcomplex = static_cast<ComplexModel *>(ptr);
+ delete oldcomplex;
+ return;
+}
+
+//ComplexModel methods Add(PointsModel *)
+char pypointsmodelpy_complexmodel_add__name__[] = "complexmodel_add";
+char pypointsmodelpy_complexmodel_add__doc__[] = "Add LORES model or PDB Model,type has to be specified (either PDB or LORES)";
+
+PyObject * pypointsmodelpy_complexmodel_add(PyObject *, PyObject *args){
+ PyObject *pycomplexmodel = 0, *pymodel = 0;
+ char * modeltype;
+
+ int ok = PyArg_ParseTuple(args, "OOs", &pycomplexmodel,&pymodel, &modeltype);
+ if(!ok) return NULL;
+
+ void *temp2 = PyCObject_AsVoidPtr(pycomplexmodel);
+ ComplexModel *thiscomplex = static_cast<ComplexModel *>(temp2);
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ if (strcmp(modeltype,"LORES") == 0){
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ thiscomplex->Add(thislores);
+ }
+ else if (strcmp(modeltype,"PDB") == 0){
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+ thiscomplex->Add(thispdb);
+ }
+ else{
+ throw runtime_error("The model type is either PDB or LORES");
+ }
+
+ return Py_BuildValue("i", 0);
+}
+
+//ComplexModel methods GetPoints(Point3DVector &)
+char pypointsmodelpy_get_complexpoints__name__[] = "get_complexpoints";
+char pypointsmodelpy_get_complexpoints__doc__[] = "Get points from complex model (container for LORES & PDB model)";
+
+PyObject * pypointsmodelpy_get_complexpoints(PyObject *, PyObject *args){
+ PyObject *pycomplexmodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pycomplexmodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pycomplexmodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ int npts = thiscomplex->GetPoints(*thisvec);
+
+ return Py_BuildValue("i", npts);
+}
+
+//create a new vector that holds of class Point3D objects
+char pypointsmodelpy_new_point3dvec__doc__[] = "";
+char pypointsmodelpy_new_point3dvec__name__[] = "new_point3dvec";
+
+PyObject * pypointsmodelpy_new_point3dvec(PyObject *, PyObject *args)
+{
+ PyObject *pyvec = 0;
+
+ vector<Point3D> *newvec = new vector<Point3D>();
+
+ return PyCObject_FromVoidPtr(newvec, PyDelPoint3DVec);
+}
+
+void PyDelPoint3DVec(void *ptr)
+{
+ vector<Point3D> * oldvec = static_cast<vector<Point3D> *>(ptr);
+ delete oldvec;
+ return;
+
+}
+
+//LORESModel method distribution(point3dvec)
+char pypointsmodelpy_get_lores_pr__name__[] = "get_lores_pr";
+char pypointsmodelpy_get_lores_pr__doc__[] = "calculate distance distribution function";
+
+PyObject * pypointsmodelpy_get_lores_pr(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ double rmax = thislores->DistDistribution(*thisvec);
+
+ return Py_BuildValue("d", rmax);
+}
+
+//LORESModel method distribution_xy(point3dvec)
+char pypointsmodelpy_distdistribution_xy__name__[] = "distdistribution_xy";
+char pypointsmodelpy_distdistribution_xy__doc__[] = "calculate distance distribution function on XY plane";
+
+PyObject * pypointsmodelpy_distdistribution_xy(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ Py_BEGIN_ALLOW_THREADS
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+ thislores->DistDistributionXY(*thisvec);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("i", 0);
+}
+
+//PDBModel method distribution_xy(point3dvec)
+char pypointsmodelpy_get_pdb_pr_xy__name__[] = "get_pdb_pr_xy";
+char pypointsmodelpy_get_pdb_pr_xy__doc__[] = "calculate distance distribution function on XY plane";
+
+PyObject * pypointsmodelpy_get_pdb_pr_xy(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+ thispdb->DistDistributionXY(*thisvec);
+
+ return Py_BuildValue("i", 0);
+}
+
+//PDBModel method distribution(point3dvec)
+char pypointsmodelpy_get_pdb_pr__name__[] = "get_pdb_pr";
+char pypointsmodelpy_get_pdb_pr__doc__[] = "calculate distance distribution function";
+
+PyObject * pypointsmodelpy_get_pdb_pr(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+ thispdb->DistDistribution(*thisvec);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("i", 0);
+}
+
+//ComplexModel method distribution(point3dvec)
+char pypointsmodelpy_get_complex_pr__name__[] = "get_complex_pr";
+char pypointsmodelpy_get_complex_pr__doc__[] = "calculate distance distribution function";
+
+PyObject * pypointsmodelpy_get_complex_pr(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pypoint3dvec = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pypoint3dvec);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+ Py_BEGIN_ALLOW_THREADS
+ thiscomplex->DistDistribution(*thisvec);
+ Py_END_ALLOW_THREADS
+ return Py_BuildValue("i", 0);
+}
+
+//LORESModel method CalculateIQ(iq)
+char pypointsmodelpy_get_lores_iq__name__[] = "get_lores_iq";
+char pypointsmodelpy_get_lores_iq__doc__[] = "calculate scattering intensity";
+
+PyObject * pypointsmodelpy_get_lores_iq(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0, *pyiq = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pylores, &pyiq);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+ void *temp2 = PyCObject_AsVoidPtr(pyiq);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ IQ * thisiq = static_cast<IQ *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ thislores->CalculateIQ(thisiq);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("i",0);
+}
+
+//LORESModel method CalculateIQ(q)
+char pypointsmodelpy_get_lores_i__name__[] = "get_lores_i";
+char pypointsmodelpy_get_lores_i__doc__[] = "calculate averaged scattering intensity from a single q";
+
+PyObject * pypointsmodelpy_get_lores_i(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0;
+ double q = 0;
+ int ok = PyArg_ParseTuple(args, "Od", &pylores, &q);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ double I = 0.0;
+ Py_BEGIN_ALLOW_THREADS
+ I = thislores->CalculateIQ(q);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+// method calculateIQ_2D(iq)
+char pypointsmodelpy_calculateIQ_2D__name__[] = "calculateIQ_2D";
+char pypointsmodelpy_calculateIQ_2D__doc__[] = "calculate scattering intensity";
+
+PyObject * pypointsmodelpy_calculateIQ_2D(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0, *pyiq = 0;
+ double theta = 0;
+ int ok = PyArg_ParseTuple(args, "OOd", &pylores, &pyiq,&theta);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+ void *temp2 = PyCObject_AsVoidPtr(pyiq);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ IQ * thisiq = static_cast<IQ *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ thislores->CalculateIQ_2D(thisiq,theta);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("i",0);
+}
+
+// method calculateI_Qxy(Qx,Qy)
+char pypointsmodelpy_calculateI_Qxy__name__[] = "calculateI_Qxy";
+char pypointsmodelpy_calculateI_Qxy__doc__[] = "calculate scattering intensity on a 2D pixel";
+
+PyObject * pypointsmodelpy_calculateI_Qxy(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0;
+ double qx = 0, qy = 0;
+ double I = 0;
+
+ int ok = PyArg_ParseTuple(args, "Odd", &pylores, &qx,&qy);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ Py_BEGIN_ALLOW_THREADS
+ I = thislores->CalculateIQ_2D(qx,qy);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+// method calculateI_Qxy(poitns, Qx,Qy)
+char pypointsmodelpy_calculateI_Qvxy__name__[] = "calculateI_Qvxy";
+char pypointsmodelpy_calculateI_Qvxy__doc__[] = "calculate scattering intensity on a 2D pixel";
+
+PyObject * pypointsmodelpy_calculateI_Qvxy(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0, *pypoint3dvec = 0;
+ double qx = 0, qy = 0;
+ double I = 0;
+
+ int ok = PyArg_ParseTuple(args, "OOdd", &pylores, &pypoint3dvec, &qx,&qy);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ I = thislores->CalculateIQ_2D(*thisvec, qx,qy);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+// PDBModel method calculateIQ(iq)
+char pypointsmodelpy_get_pdb_iq__name__[] = "get_pdb_iq";
+char pypointsmodelpy_get_pdb_iq__doc__[] = "calculate scattering intensity for PDB model";
+
+PyObject * pypointsmodelpy_get_pdb_iq(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pyiq = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pyiq);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pyiq);
+
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+ IQ * thisiq = static_cast<IQ *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ thispdb->CalculateIQ(thisiq);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("i",0);
+}
+
+// PDBModel method calculateIQ_2D(qx,qy)
+char pypointsmodelpy_get_pdb_Iqxy__name__[] = "get_pdb_Iqxy";
+char pypointsmodelpy_get_pdb_Iqxy__doc__[] = "calculate scattering intensity by a given (qx,qy) for PDB model";
+
+PyObject * pypointsmodelpy_get_pdb_Iqxy(PyObject *, PyObject *args)
+{
+ PyObject *pypdb = 0;
+ double qx = 0, qy = 0;
+ double I = 0;
+
+ int ok = PyArg_ParseTuple(args, "Odd", &pypdb, &qx,&qy);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pypdb);
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+
+ Py_BEGIN_ALLOW_THREADS
+ I = thispdb->CalculateIQ_2D(qx,qy);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+// PDBModel method calculateIQ_2Dv(points,qx,qy)
+char pypointsmodelpy_get_pdb_Iqvxy__name__[] = "get_pdb_Iqvxy";
+char pypointsmodelpy_get_pdb_Iqvxy__doc__[] = "calculate scattering intensity by a given (qx,qy) for PDB model";
+
+PyObject * pypointsmodelpy_get_pdb_Iqvxy(PyObject *, PyObject *args)
+{
+ PyObject *pypdb = 0, *pypoint3dvec = 0;
+ double qx = 0, qy = 0;
+ double I = 0;
+
+ int ok = PyArg_ParseTuple(args, "OOdd", &pypdb, &pypoint3dvec, &qx,&qy);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pypdb);
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ I = thispdb->CalculateIQ_2D(*thisvec,qx,qy);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+// ComplexModel method calculateIQ(iq)
+char pypointsmodelpy_get_complex_iq__name__[] = "get_complex_iq";
+char pypointsmodelpy_get_complex_iq__doc__[] = "calculate scattering intensity for COMPLEX model";
+
+PyObject * pypointsmodelpy_get_complex_iq(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0, *pyiq = 0;
+ int ok = PyArg_ParseTuple(args, "OO", &pymodel, &pyiq);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+ void *temp2 = PyCObject_AsVoidPtr(pyiq);
+
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+ IQ * thisiq = static_cast<IQ *>(temp2);
+
+ Py_BEGIN_ALLOW_THREADS
+ thiscomplex->CalculateIQ(thisiq);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("i",0);
+}
+
+//LORESModel method CalculateIQ_2D(points,qx,qy)
+char pypointsmodelpy_get_complex_Iqxy__name__[] = "get_complex_iq_2D";
+char pypointsmodelpy_get_complex_Iqxy__doc__[] = "calculate averaged scattering intensity from a single q";
+
+PyObject * pypointsmodelpy_get_complex_Iqxy(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0, *pypoint3dvec = 0;
+ double qx = 0, qy = 0;
+ int ok = PyArg_ParseTuple(args, "OOdd", &pylores, &pypoint3dvec, &qx, &qy);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ double I = 0.0;
+ Py_BEGIN_ALLOW_THREADS
+ I = thiscomplex->CalculateIQ_2D(*thisvec,qx,qy);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+//LORESModel method CalculateIQ_2D_Error(points,qx,qy)
+char pypointsmodelpy_get_complex_Iqxy_err__name__[] = "get_complex_iq_2D_err";
+char pypointsmodelpy_get_complex_Iqxy_err__doc__[] = "calculate averaged scattering intensity from a single q";
+
+PyObject * pypointsmodelpy_get_complex_Iqxy_err(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0, *pypoint3dvec = 0;
+ double qx = 0, qy = 0;
+ int ok = PyArg_ParseTuple(args, "OOdd", &pylores, &pypoint3dvec, &qx, &qy);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ double I = 0.0;
+ Py_BEGIN_ALLOW_THREADS
+ I = thiscomplex->CalculateIQ_2D_Error(*thisvec,qx,qy);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+//LORESModel method CalculateIQ(q)
+char pypointsmodelpy_get_complex_i__name__[] = "get_complex_i";
+char pypointsmodelpy_get_complex_i__doc__[] = "calculate averaged scattering intensity from a single q";
+
+PyObject * pypointsmodelpy_get_complex_i(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0;
+ double q = 0;
+ int ok = PyArg_ParseTuple(args, "Od", &pylores, &q);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+
+ double I = 0.0;
+ Py_BEGIN_ALLOW_THREADS
+ I = thiscomplex->CalculateIQ(q);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+char pypointsmodelpy_get_complex_i_error__name__[] = "get_complex_i_error";
+char pypointsmodelpy_get_complex_i_error__doc__[] = "calculate error on averaged scattering intensity from a single q";
+
+PyObject * pypointsmodelpy_get_complex_i_error(PyObject *, PyObject *args)
+{
+ PyObject *pylores = 0;
+ double q = 0;
+ int ok = PyArg_ParseTuple(args, "Od", &pylores, &q);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pylores);
+
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+
+ double I = 0.0;
+ Py_BEGIN_ALLOW_THREADS
+ I = thiscomplex->CalculateIQError(q);
+ Py_END_ALLOW_THREADS
+
+ return Py_BuildValue("d",I);
+}
+
+
+
+
+//method outputPR(string filename)
+char pypointsmodelpy_outputPR__name__[] = "outputPR";
+char pypointsmodelpy_outputPR__doc__[] = "print out P(R) to a file";
+
+PyObject * pypointsmodelpy_outputPR(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args, "Os", &pymodel, &outfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ thislores->OutputPR(outfile);
+
+ return Py_BuildValue("i", 0);
+}
+
+
+//method get_pr()
+char pypointsmodelpy_getPR__name__[] = "get_pr";
+char pypointsmodelpy_getPR__doc__[] = "Return P(r) as a list of points";
+
+PyObject * pypointsmodelpy_getPR(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args, "O", &pymodel);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ // Get the P(r) array
+ Array2D<double> pr_ = thislores->GetPr();
+
+ // Create two lists to store the r and P(r) values
+ PyObject* r_list = PyList_New(0);
+ PyObject* pr_list = PyList_New(0);
+
+ double sum = 0.0;
+ double r_stepsize = 1.0;
+ if (pr_.dim1()>2) r_stepsize = pr_[1][0] - pr_[0][0];
+
+ for (int i = 0; i < pr_.dim1(); ++i){
+ sum += pr_[i][1]*r_stepsize;
+ }
+
+ for (int i = 0; i < pr_.dim1(); ++i){
+ if (pr_[i][1]==0) continue;
+ int r_append = PyList_Append(r_list, Py_BuildValue("d", pr_[i][0]));
+ int pr_append = PyList_Append(pr_list, Py_BuildValue("d", pr_[i][1]/sum));
+ if (r_append+pr_append<0) return NULL;
+ }
+
+ return Py_BuildValue("OO", r_list, pr_list);
+}
+
+
+
+//method outputPR_xy(string filename)
+char pypointsmodelpy_outputPR_xy__name__[] = "outputPR_xy";
+char pypointsmodelpy_outputPR_xy__doc__[] = "print out P(R) to a file";
+
+PyObject * pypointsmodelpy_outputPR_xy(PyObject *, PyObject *args)
+{
+ PyObject *pyloresmodel = 0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args, "Os", &pyloresmodel, &outfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyloresmodel);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ thislores->OutputPR_XY(outfile);
+
+ return Py_BuildValue("i", 0);
+}
+
+//PDBModel method outputPR(string filename)
+char pypointsmodelpy_save_pdb_pr__name__[] = "save_pdb_pr";
+char pypointsmodelpy_save_pdb_pr__doc__[] = "print out P(R) to a file";
+
+PyObject * pypointsmodelpy_save_pdb_pr(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args, "Os", &pymodel, &outfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+
+ PDBModel * thispdb = static_cast<PDBModel *>(temp);
+
+ thispdb->OutputPR(outfile);
+
+ return Py_BuildValue("i", 0);
+}
+
+//ComplexModel method outputPR(string filename)
+char pypointsmodelpy_save_complex_pr__name__[] = "save_complex_pr";
+char pypointsmodelpy_save_complex_pr__doc__[] = "print out P(R) to a file";
+
+PyObject * pypointsmodelpy_save_complex_pr(PyObject *, PyObject *args)
+{
+ PyObject *pymodel = 0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args, "Os", &pymodel, &outfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pymodel);
+
+ ComplexModel * thiscomplex = static_cast<ComplexModel *>(temp);
+
+ thiscomplex->OutputPR(outfile);
+
+ return Py_BuildValue("i", 0);
+}
+
+
+//method outputPDB(string filename)
+char pypointsmodelpy_outputPDB__name__[] = "outputPDB";
+char pypointsmodelpy_outputPDB__doc__[] = "save the monte-carlo distributed points of the geomodel into a PDB format file.\
+ a .pdb extension will be automatically added";
+
+PyObject * pypointsmodelpy_outputPDB(PyObject *, PyObject *args)
+{
+ PyObject *pyloresmodel = 0, *pypoint3dvec=0;
+ char *outfile;
+ int ok = PyArg_ParseTuple(args, "OOs", &pyloresmodel, &pypoint3dvec,&outfile);
+ if(!ok) return NULL;
+
+ void *temp = PyCObject_AsVoidPtr(pyloresmodel);
+
+ LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+ void *temp2 = PyCObject_AsVoidPtr(pypoint3dvec);
+ vector<Point3D> * thisvec = static_cast<vector<Point3D> *>(temp2);
+
+ thislores->OutputPDB(*thisvec,outfile);
+
+ return Py_BuildValue("i", 0);
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/misc.h b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/misc.h
new file mode 100644
index 0000000..2f0175e
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/misc.h
@@ -0,0 +1,238 @@
+#if !defined(pypointsmodelpy_misc_h)
+#define pypointsmodelpy_misc_h
+
+// @copyright: University of Tennessee, for the DANSE project
+extern char pypointsmodelpy_copyright__name__[];
+extern char pypointsmodelpy_copyright__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_copyright(PyObject *, PyObject *);
+
+// LORESModel constructor LORESModel(double density)
+extern char pypointsmodelpy_new_loresmodel__name__[];
+extern char pypointsmodelpy_new_loresmodel__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_new_loresmodel(PyObject *, PyObject *);
+
+//Clean LORESModel constructor memory usage
+static void PyDelLores(void *);
+
+//LORESModel methods add(GeoShapes &, double sld)
+extern char pypointsmodelpy_lores_add__name__[];
+extern char pypointsmodelpy_lores_add__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_lores_add(PyObject *, PyObject *);
+
+//LORESModel methods GetPoints(vector<Point3D> &)
+extern char pypointsmodelpy_get_lorespoints__name__[];
+extern char pypointsmodelpy_get_lorespoints__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_lorespoints(PyObject *, PyObject *);
+
+//PDBModel constructor PDBModel()
+extern char pypointsmodelpy_new_pdbmodel__name__[];
+extern char pypointsmodelpy_new_pdbmodel__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_new_pdbmodel(PyObject *, PyObject *);
+
+//Clean PDBModel constructor memory usage
+static void PyDelPDB(void *);
+
+//PDBModel method AddPDB(string)
+extern char pypointsmodelpy_pdbmodel_add__name__[];
+extern char pypointsmodelpy_pdbmodel_add__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_pdbmodel_add(PyObject *, PyObject *);
+
+//PDBModel method GetPoints(Point3DVector &)
+extern char pypointsmodelpy_get_pdbpoints__name__[];
+extern char pypointsmodelpy_get_pdbpoints__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_pdbpoints(PyObject *, PyObject *);
+
+//ComplexModel constructor ComplexModel()
+extern char pypointsmodelpy_new_complexmodel__name__[];
+extern char pypointsmodelpy_new_complexmodel__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_new_complexmodel(PyObject *, PyObject *);
+
+//Clean Complexodel constructor memory usage
+static void PyDelComplex(void *);
+
+//ComplexModel method AddComplex(string)
+extern char pypointsmodelpy_complexmodel_add__name__[];
+extern char pypointsmodelpy_complexmodel_add__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_complexmodel_add(PyObject *, PyObject *);
+
+//ComplexModel method GetPoints(Point3DVector &)
+extern char pypointsmodelpy_get_complexpoints__name__[];
+extern char pypointsmodelpy_get_complexpoints__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complexpoints(PyObject *, PyObject *);
+
+//generate a new vector of points3d
+extern char pypointsmodelpy_new_point3dvec__name__[];
+extern char pypointsmodelpy_new_point3dvec__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_new_point3dvec(PyObject *, PyObject *);
+
+//clean new_point3dvec
+static void PyDelPoint3DVec(void *);
+
+// method FillPoints(loresmodel, point3dvec)
+//extern char pypointsmodelpy_fillpoints__name__[];
+//extern char pypointsmodelpy_fillpoints__doc__[];
+//extern "C"
+//PyObject * pypointsmodelpy_fillpoints(PyObject *, PyObject *);
+
+// LORESModel method distdistribution(point3dvec)
+extern char pypointsmodelpy_get_lores_pr__name__[];
+extern char pypointsmodelpy_get_lores_pr__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_lores_pr(PyObject *, PyObject *);
+
+// method distdistribution_xy(point3dvec)
+extern char pypointsmodelpy_distdistribution_xy__name__[];
+extern char pypointsmodelpy_distdistribution_xy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_distdistribution_xy(PyObject *, PyObject *);
+
+// PDBModel method distdistribution(point3dvec)
+extern char pypointsmodelpy_get_pdb_pr__name__[];
+extern char pypointsmodelpy_get_pdb_pr__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_pdb_pr(PyObject *, PyObject *);
+
+// PDBModel method distdistribution_xy(point3dvec)
+extern char pypointsmodelpy_get_pdb_pr_xy__name__[];
+extern char pypointsmodelpy_get_pdb_pr_xy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_pdb_pr_xy(PyObject *, PyObject *);
+
+// ComplexModel method distdistribution(point3dvec)
+extern char pypointsmodelpy_get_complex_pr__name__[];
+extern char pypointsmodelpy_get_complex_pr__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complex_pr(PyObject *, PyObject *);
+
+// LORESModel method calculateIQ(iq)
+extern char pypointsmodelpy_get_lores_iq__name__[];
+extern char pypointsmodelpy_get_lores_iq__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_lores_iq(PyObject *, PyObject *);
+
+// LORESModel method CalculateIQ(q)
+extern char pypointsmodelpy_get_lores_i__name__[];
+extern char pypointsmodelpy_get_lores_i__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_lores_i(PyObject *, PyObject *);
+
+// ComplexModel method CalculateIQ(q)
+extern char pypointsmodelpy_get_complex_i__name__[];
+extern char pypointsmodelpy_get_complex_i__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complex_i(PyObject *, PyObject *);
+
+// ComplexModel method CalculateIQError(q)
+extern char pypointsmodelpy_get_complex_i_error__name__[];
+extern char pypointsmodelpy_get_complex_i_error__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complex_i_error(PyObject *, PyObject *);
+
+// method calculateIQ_2D(iq,theta)
+extern char pypointsmodelpy_calculateIQ_2D__name__[];
+extern char pypointsmodelpy_calculateIQ_2D__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_calculateIQ_2D(PyObject *, PyObject *);
+
+// method calculateI_Qxy(Qx,Qy)
+extern char pypointsmodelpy_calculateI_Qxy__name__[];
+extern char pypointsmodelpy_calculateI_Qxy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_calculateI_Qxy(PyObject *, PyObject *);
+
+// method calculateI_Qvxy(points,Qx,Qy)
+extern char pypointsmodelpy_calculateI_Qvxy__name__[];
+extern char pypointsmodelpy_calculateI_Qvxy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_calculateI_Qvxy(PyObject *, PyObject *);
+
+// PDBModel method calculateIQ(iq)
+extern char pypointsmodelpy_get_pdb_iq__name__[];
+extern char pypointsmodelpy_get_pdb_iq__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_pdb_iq(PyObject *, PyObject *);
+
+// PDBModel method calculateIQ_2D(qx,qy)
+extern char pypointsmodelpy_get_pdb_Iqxy__name__[];
+extern char pypointsmodelpy_get_pdb_Iqxy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_pdb_Iqxy(PyObject *, PyObject *);
+
+// PDBModel method calculateIQ_2D(pts,qx,qy)
+extern char pypointsmodelpy_get_pdb_Iqvxy__name__[];
+extern char pypointsmodelpy_get_pdb_Iqvxy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_pdb_Iqvxy(PyObject *, PyObject *);
+
+// ComplexModel method calculateIQ_2D(pts,qx,qy)
+extern char pypointsmodelpy_get_complex_Iqxy__name__[];
+extern char pypointsmodelpy_get_complex_Iqxy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complex_Iqxy(PyObject *, PyObject *);
+
+// ComplexModel method calculateIQ_2D_Error(pts,qx,qy)
+extern char pypointsmodelpy_get_complex_Iqxy_err__name__[];
+extern char pypointsmodelpy_get_complex_Iqxy_err__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complex_Iqxy_err(PyObject *, PyObject *);
+
+// ComplexModel method calculateIQ(iq)
+extern char pypointsmodelpy_get_complex_iq__name__[];
+extern char pypointsmodelpy_get_complex_iq__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_get_complex_iq(PyObject *, PyObject *);
+
+// method outputPR
+extern char pypointsmodelpy_outputPR__name__[];
+extern char pypointsmodelpy_outputPR__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_outputPR(PyObject *, PyObject *);
+
+//method get_pr()
+extern char pypointsmodelpy_getPR__name__[];
+extern char pypointsmodelpy_getPR__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_getPR(PyObject *, PyObject *);
+
+
+// method outputPR_xy
+extern char pypointsmodelpy_outputPR_xy__name__[];
+extern char pypointsmodelpy_outputPR_xy__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_outputPR_xy(PyObject *, PyObject *);
+
+// PDBModel method outputPR
+extern char pypointsmodelpy_save_pdb_pr__name__[];
+extern char pypointsmodelpy_save_pdb_pr__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_save_pdb_pr(PyObject *, PyObject *);
+
+// ComplexModel method outputPR
+extern char pypointsmodelpy_save_complex_pr__name__[];
+extern char pypointsmodelpy_save_complex_pr__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_save_complex_pr(PyObject *, PyObject *);
+
+// method outputPDB
+extern char pypointsmodelpy_outputPDB__name__[];
+extern char pypointsmodelpy_outputPDB__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_outputPDB(PyObject *, PyObject *);
+
+#endif
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/pointsmodelpymodule.cc b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/pointsmodelpymodule.cc
new file mode 100644
index 0000000..49599b5
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/pointsmodelpymodule/pointsmodelpymodule.cc
@@ -0,0 +1,52 @@
+// -*- C++ -*-
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+// Michael A.G. Aivazis
+// California Institute of Technology
+// (C) 1998-2005 All Rights Reserved
+//
+// <LicenseText>
+//
+// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+
+//#include <portinfo>
+
+#include <Python.h>
+
+#include "exceptions.h"
+#include "bindings.h"
+
+
+char pypointsmodelpy_module__doc__[] = "";
+
+// Initialization function for the module (*must* be called initpointsmodelpy)
+extern "C"
+void
+initpointsmodelpy()
+{
+ // create the module and add the functions
+ PyObject * m = Py_InitModule4(
+ "pointsmodelpy", pypointsmodelpy_methods,
+ pypointsmodelpy_module__doc__, 0, PYTHON_API_VERSION);
+
+ // get its dictionary
+ PyObject * d = PyModule_GetDict(m);
+
+ // check for errors
+ if (PyErr_Occurred()) {
+ Py_FatalError("can't initialize module pointsmodelpy");
+ }
+
+ // install the module exceptions
+ pypointsmodelpy_runtimeError = PyErr_NewException("pointsmodelpy.runtime", 0, 0);
+ PyDict_SetItemString(d, "RuntimeException", pypointsmodelpy_runtimeError);
+
+ return;
+}
+
+// version
+// $Id$
+
+// End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/Make.mm b/src/sas/sascalc/simulation/pointsmodelpy/tests/Make.mm
new file mode 100644
index 0000000..d79164e
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/Make.mm
@@ -0,0 +1,61 @@
+# -*- Makefile -*-
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+PROJECT = pointsmodelpy
+PACKAGE = tests
+
+PROJ_CLEAN += $(PROJ_CPPTESTS)
+
+PROJ_CXX_INCLUDES += ../../iqPy/libiqPy \
+ ../../iqPy/libiqPy/tnt \
+ ../../geoshapespy/libgeoshapespy \
+ ../../analmodelpy/libanalmodelpy \
+ ../libpointsmodelpy
+
+PROJ_PYTESTS = signon.py
+PROJ_CPPTESTS = testlores \
+ testpdb \
+ testcomplexmodel
+PROJ_TESTS = $(PROJ_PYTESTS) $(PROJ_CPPTESTS)
+PROJ_LIBRARIES = -L$(BLD_LIBDIR) -lpointsmodelpy -lgeoshapespy -liqPy
+
+
+#--------------------------------------------------------------------------
+#
+
+all: $(PROJ_TESTS)
+
+test:
+ for test in $(PROJ_TESTS) ; do $${test}; done
+
+release: tidy
+ cvs release .
+
+update: clean
+ cvs update .
+
+#--------------------------------------------------------------------------
+#
+
+testlores: testlores.cc $(BLD_LIBDIR)/libpointsmodelpy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -g -o $@ testlores.cc $(PROJ_LIBRARIES)
+
+testpdb: testpdb.cc $(BLD_LIBDIR)/libpointsmodelpy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -g -o $@ testpdb.cc $(PROJ_LIBRARIES)
+
+testcomplexmodel: testcomplexmodel.cc $(BLD_LIBDIR)/libpointsmodelpy.$(EXT_SAR)
+ $(CXX) $(CXXFLAGS) $(LCXXFLAGS) -g -o $@ testcomplexmodel.cc $(PROJ_LIBRARIES)
+
+# version
+# $Id$
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/signon.py b/src/sas/sascalc/simulation/pointsmodelpy/tests/signon.py
new file mode 100644
index 0000000..acc0702
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/signon.py
@@ -0,0 +1,35 @@
+#!/usr/bin/env python
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+# Michael A.G. Aivazis
+# California Institute of Technology
+# (C) 1998-2005 All Rights Reserved
+#
+# <LicenseText>
+#
+# ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+#
+
+if __name__ == "__main__":
+
+ import pointsmodelpy
+ from pointsmodelpy import pointsmodelpy as pointsmodelpymodule
+
+ print "copyright information:"
+ print " ", pointsmodelpy.copyright()
+ print " ", pointsmodelpymodule.copyright()
+
+ print
+ print "module information:"
+ print " file:", pointsmodelpymodule.__file__
+ print " doc:", pointsmodelpymodule.__doc__
+ print " contents:", dir(pointsmodelpymodule)
+
+ print
+ print pointsmodelpymodule.hello()
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/test.pdb b/src/sas/sascalc/simulation/pointsmodelpy/tests/test.pdb
new file mode 100644
index 0000000..50d49ad
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/test.pdb
@@ -0,0 +1,10 @@
+REMARK FILENAME="if0.pdb"
+REMARK TOPH19.pep -MACRO for protein sequence
+REMARK DATE:17-Aug-02 11:05:39 created by user:
+ATOM 1 CB SER 1 -1.115 -11.617 -11.368
+ATOM 2 OG SER 1 0.202 -11.845 -10.894 1.00 54.67
+ATOM 3 C SER 1 -2.076 -12.837 -9.369 1.00 44.10
+ATOM 4 O SER 1 -3.108 -12.947 -8.704 1.00 43.77
+ATOM 5 N SER 1 -3.465 -12.399 -11.363 1.00 83.41
+ATOM 6 CA SER 1 -2.108 -12.709 -10.900 1.00 57.67
+END
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/test2.pdb b/src/sas/sascalc/simulation/pointsmodelpy/tests/test2.pdb
new file mode 100644
index 0000000..f68ed2f
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/test2.pdb
@@ -0,0 +1,7 @@
+ATOM 1 CB SER 1 -1.115 -11.617 -11.368 1.00 52.49
+ATOM 2 OG SER 1 0.202 -11.845 -10.894 1.00 54.67
+ATOM 3 C SER 1 -2.076 -12.837 -9.369 1.00 44.10
+ATOM 4 O SER 1 -3.108 -12.947 -8.704 1.00 43.77
+ATOM 5 N SER 1 -3.465 -12.399 -11.363 1.00 83.41
+ATOM 6 CA SER 1 -2.108 -12.709 -10.900 1.00 57.67
+END
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/test2dui.py b/src/sas/sascalc/simulation/pointsmodelpy/tests/test2dui.py
new file mode 100644
index 0000000..4e80f6c
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/test2dui.py
@@ -0,0 +1,120 @@
+#!/usr/bin/env python
+"""
+Demonstration of drawing a 2D image plot using the "hot" colormap
+"""
+
+#--------------------------------------------------------------------------------
+# Imports:
+#--------------------------------------------------------------------------------
+
+import wx
+
+from enthought.traits import Any, Instance
+from enthought.enable.wx import Window
+from enthought.pyface import ApplicationWindow, GUI
+from enthought.util.numerix import pi, concatenate, array, zeros, ones, \
+ arange, resize, ravel
+from enthought.util.numerix import Float as NumericFloat
+from math import sqrt, sin
+
+from enthought.chaco.plot_component import PlotComponent
+from enthought.chaco.plot_axis import PlotAxis
+from enthought.chaco.plot_canvas import PlotCanvas
+from enthought.chaco.plot_group import PlotGroup
+from enthought.chaco.image_plot_value import ImageData, CmapImagePlotValue
+from enthought.chaco.colormap import LinearColormap
+from enthought.chaco.colormap_legend import ColormapLegend
+from enthought.chaco.default_colormaps import hot, gray
+from enthought.chaco.demo.demo_base import PlotApplicationWindow
+
+
+class ImagePlotApplicationWindow( PlotApplicationWindow ):
+
+ ###########################################################################
+ # PlotApplicationWindow interface.
+ ###########################################################################
+
+ def _create_plot( self ):
+ """ Create the plot to be displayed. """
+
+ # Create the image data and the index values
+ #value_grid = zeros((100,100), NumericFloat)
+ from testlores2d import get2d_2
+ value_grid = get2d_2()
+ #self._compute_function(value_grid)
+ index_vals = (arange(value_grid.shape[0]), arange(value_grid.shape[1]))
+
+ data = ImageData(value_grid, index_vals)
+ print value_grid, index_vals
+
+ # Create the index axes
+ xaxis = PlotAxis(tick_visible=False, grid_visible=False)
+ # bound_low = index_vals[0][0], bound_high = index_vals[0][-1])
+ yaxis = PlotAxis(tick_visible=False, grid_visible=False)
+ #bound_low = index_vals[1][0], bound_high = index_vals[1][-1])
+ xaxis.visible = False
+ yaxis.visible = False
+
+ # Create the value axis (i.e. colormap)
+ cmap = hot(0,1)
+
+ # Create the Image PlotValue
+# image = CmapImagePlotValue(data, cmap, axis_index = xaxis, axis = yaxis, type='image')
+ image = CmapImagePlotValue(data, cmap,type='image')
+ image.weight = 10
+
+ cmap_legend = ColormapLegend(cmap, margin_width=31, margin_height=31)
+ cmap_legend.weight = 0.4
+
+ group = PlotGroup(cmap_legend, image, orientation='horizontal')
+
+ return group
+
+ ###########################################################################
+ # Private interface.
+ ###########################################################################
+
+ def _compute_function(self, ary):
+ "Fills in ary with the sin(r)/r function"
+
+ width, height = ary.shape
+ for i in range(width):
+ for j in range(height):
+ x = i - width / 2.0
+ x = x / (width/2.0) * 15
+ y = j - height / 2.0
+ y = y / (height/2.0) * 15
+
+ radius = sqrt(x*x + y*y)
+ if radius == 0.0:
+ ary[i,j] = 1
+ else:
+ ary[i,j] = sin(radius) / radius
+
+ return
+
+def main():
+
+ # Create the GUI (this does NOT start the GUI event loop).
+ gui = GUI()
+
+ # Screen size:
+ screen_width = gui.system_metrics.screen_width or 1024
+ screen_height = gui.system_metrics.screen_height or 768
+
+ # Create and open the main window.
+ window = ImagePlotApplicationWindow( title = "Plot" )
+ #window.plot_item = object
+ window.size = ( 2 * screen_width / 3, 2 * screen_height / 3 )
+ window.open()
+
+ # Start the GUI event loop.
+ gui.start_event_loop()
+
+
+#===============================================================================
+# Program start-up:
+#===============================================================================
+
+if __name__ == '__main__':
+ main()
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testcomplexmodel.cc b/src/sas/sascalc/simulation/pointsmodelpy/tests/testcomplexmodel.cc
new file mode 100644
index 0000000..27f1803
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testcomplexmodel.cc
@@ -0,0 +1,41 @@
+#include "complex_model.h"
+#include "lores_model.h"
+#include "sphere.h"
+#include "pdb_model.h"
+#include <vector>
+#include "Point3D.h"
+#include <string>
+
+int main(){
+
+ //Get a few points from a lores model
+ vector<Point3D> vplores;
+ LORESModel lm(0.1);
+ Sphere s1(10);
+ lm.Add(s1,1);
+ lm.GetPoints(vplores);
+
+ //get a few points from a pdb model
+ vector<Point3D> vppdb;
+ string pdbfile("ff0.pdb");
+ PDBModel p1;
+ p1.AddPDB(pdbfile);
+ p1.GetPoints(vppdb);
+ //should be error,argument vector has to be empty
+ //p1.GetPoints(vppdb);
+
+ //merge points
+ vector<Point3D> vptotal;
+ ComplexModel cm;
+ cm.Add(&lm);
+ cm.Add(&p1);
+ cout << "boundary"<< cm.GetDimBound() <<endl;
+
+ cm.GetPoints(vptotal);
+
+ cm.DistDistribution(vptotal);
+ cm.OutputPR("testcomplexcc.pr");
+ //pm.AddPoints(vptotal,vplores,vppdb);
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testcomplexmodel.py b/src/sas/sascalc/simulation/pointsmodelpy/tests/testcomplexmodel.py
new file mode 100644
index 0000000..dce6072
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testcomplexmodel.py
@@ -0,0 +1,119 @@
+from sasModeling.pointsmodelpy import pointsmodelpy
+from sasModeling.iqPy import iqPy
+from sasModeling.geoshapespy import geoshapespy
+
+#First testing: a normal case, a lores model holds a sphere
+#and a pdbmodel holds one pdb file. and merged into a complex
+#model, then perform calculation
+def test_complex():
+ p = pointsmodelpy.new_pdbmodel()
+ pointsmodelpy.pdbmodel_add(p,"ff0.pdb")
+
+ vp = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_pdbpoints(p,vp);
+
+ pointsmodelpy.get_pdb_pr(p,vp)
+ pointsmodelpy.save_pdb_pr(p,"testcomplex.pr")
+
+ iq = iqPy.new_iq(100,0.001, 0.3)
+ pointsmodelpy.get_pdb_iq(p,iq)
+
+ iqPy.OutputIQ(iq,"testcomplex.iq")
+
+ a = geoshapespy.new_sphere(10)
+ lm = pointsmodelpy.new_loresmodel(0.1)
+ pointsmodelpy.lores_add(lm,a,1.0)
+
+ vpcomplex = pointsmodelpy.new_point3dvec();
+ complex = pointsmodelpy.new_complexmodel()
+ pointsmodelpy.complexmodel_add(complex,p,"PDB");
+ pointsmodelpy.complexmodel_add(complex,lm,"LORES");
+
+ pointsmodelpy.get_complexpoints(complex,vpcomplex);
+ pointsmodelpy.get_complex_pr(complex,vpcomplex);
+ pointsmodelpy.save_complex_pr(complex,"testcomplex1.pr");
+
+ iqcomplex = iqPy.new_iq(100,0.001, 0.3)
+ pointsmodelpy.get_complex_iq(complex,iqcomplex);
+
+ iqPy.OutputIQ(iq,"testcomplex1.iq")
+
+#testing 2, insert one pdbmodel and one empty loresmodel
+def test_complex2():
+ pdb = pointsmodelpy.new_pdbmodel()
+ pointsmodelpy.pdbmodel_add(pdb,"ff0.pdb")
+
+ lores = pointsmodelpy.new_loresmodel(0.1)
+
+ complex = pointsmodelpy.new_complexmodel()
+ pointsmodelpy.complexmodel_add(complex,pdb,"PDB");
+ pointsmodelpy.complexmodel_add(complex,lores,"LORES")
+
+ points = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_complexpoints(complex,points)
+
+ pointsmodelpy.get_complex_pr(complex,points);
+ pointsmodelpy.save_complex_pr(complex,"testcomplex2.pr")
+
+ iqcomplex = iqPy.new_iq(100,0.001, 0.3)
+ pointsmodelpy.get_complex_iq(complex,iqcomplex)
+
+ iqPy.OutputIQ(iqcomplex,"testcomplex2.iq")
+
+ print "p(r) is saved in testcomplex2.pr"
+ print "I(Q) is saved in testcomplex2.iq"
+ print "pass"
+
+#testing 3, insert one empty pdbmodel and one loresmodel
+def test_complex3():
+ pdb = pointsmodelpy.new_pdbmodel()
+
+ lores = pointsmodelpy.new_loresmodel(0.1)
+ sph = geoshapespy.new_sphere(10)
+ pointsmodelpy.lores_add(lores,sph,1.0)
+
+ complex = pointsmodelpy.new_complexmodel()
+ pointsmodelpy.complexmodel_add(complex,pdb,"PDB");
+ pointsmodelpy.complexmodel_add(complex,lores,"LORES")
+
+ points = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_complexpoints(complex,points)
+
+ pointsmodelpy.get_complex_pr(complex,points);
+ pointsmodelpy.save_complex_pr(complex,"testcomplex3.pr")
+
+ iqcomplex = iqPy.new_iq(100,0.001, 0.3)
+ pointsmodelpy.get_complex_iq(complex,iqcomplex)
+
+ iqPy.OutputIQ(iqcomplex,"testcomplex3.iq")
+
+ print "p(r) is saved in testcomplex3.pr"
+ print "I(Q) is saved in testcomplex3.iq"
+ print "pass"
+
+# Test 2D complex model
+def test_complex4():
+
+
+ a = geoshapespy.new_sphere(10)
+ lm = pointsmodelpy.new_loresmodel(0.1)
+ pointsmodelpy.lores_add(lm,a,1.0)
+
+ vpcomplex = pointsmodelpy.new_point3dvec();
+ complex = pointsmodelpy.new_complexmodel()
+ pointsmodelpy.complexmodel_add(complex,lm,"LORES");
+
+ pointsmodelpy.get_complexpoints(complex,vpcomplex);
+
+ print pointsmodelpy.get_complex_iq_2D(complex,vpcomplex,0.1,0.1);
+ print pointsmodelpy.get_complex_iq_2D(complex,vpcomplex,0.01,0.1);
+
+
+if __name__ == "__main__":
+ #print "test 1, adding one nonempty loresmodel and one nonempty pdbmodel to complex model"
+ #test_complex()
+ #print "test 2, adding a nonempty pdbmodel, and adding an empty loresmodel"
+ #test_complex2()
+ #print "test 3, adding an empty pdbmodel, and adding a nonempty loresmodel"
+ #test_complex3()
+ test_complex4()
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores.cc b/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores.cc
new file mode 100644
index 0000000..94fdf7d
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores.cc
@@ -0,0 +1,209 @@
+#include <cstdlib>
+#include <iostream>
+#include <fstream>
+#include <vector>
+#include "lores_model.h"
+#include "sphere.h"
+#include "cylinder.h"
+#include "ellipsoid.h"
+#include "Point3D.h"
+
+using namespace std;
+
+void test_calculateIQ(LORESModel &lm);
+
+void WritePointsCoor(vector<Point3D> &vp){
+ ofstream outfile("testcc.coor");
+ for(size_t i=0; i<vp.size(); ++i){
+ outfile<<vp[i].getX()<<" "<<vp[i].getY()<<" "<<vp[i].getZ()<<" "<<1.0<<endl;
+ }
+}
+
+void test_lores(){
+
+ LORESModel lm(0.5);
+ cout << "density is:" << lm.GetDensity() << endl;
+
+ Sphere s1(10);
+ s1.SetOrientation(10,10,20);
+ s1.SetCenter(10,10,10);
+ lm.Add(s1,1.0);
+
+ Cylinder c1(5,20);
+ c1.SetCenter(0,0,0);
+ c1.SetOrientation(10,20,30);
+ lm.Add(c1,1.0);
+
+ /*
+ Cylinder c2(40,100);
+ c2.SetCenter(-30,-40,-35);
+ lm.Add(c2,1.0);
+ */
+ /*
+ Ellipsoid e1(20,15,10);
+ e1.SetCenter(0,0,0);
+ e1.SetOrientation(10,10,20);
+ lm.Add(e1,1.0);
+ */
+ /*test multiple spheres
+ int range = 20;
+ int r = 5;
+ for (int k = 0; k < 1000; ++k) {
+ Sphere s(r + rand() % r);
+ s.SetCenter(rand() % range, rand() % range, rand() % range);
+ lm.Add(s, 1.0);
+ }
+ */
+ /*
+ Sphere s1(10);
+ cout << "sphere information:" << s1.GetVolume() << " " << s1.GetRadius() <<endl;
+ s1.SetOrientation(10,20,10);
+ s1.SetCenter(1,5,2);
+ lm.Add(s1,1.0);
+
+ Sphere s2(15);
+ s2.SetCenter(20,20,20);
+ lm.Add(s2,2.0);
+
+ Sphere s3(5);
+ s3.SetCenter(0,0,0);
+ lm.Add(s3,2.0);
+
+ Sphere s4(5);
+ s4.SetCenter(0,0,10);
+ lm.Add(s4,2.0);
+
+ Sphere s5(10);
+ s5.SetCenter(20,0,0);
+ lm.Add(s5,2.0);
+ */
+
+ test_calculateIQ(lm);
+}
+
+void test_calculateIQ(LORESModel &lm){
+
+ IQ iq1(10,0.001,0.3);
+ cout << "iq information:" << iq1.GetQmin() <<endl;
+
+ vector<Point3D> vp;
+ lm.GetPoints(vp);
+ WritePointsCoor(vp);
+ cout << "vp size:" <<vp.size()<<endl;
+ cout << "save into pdb file" << endl;
+ lm.OutputPDB(vp,"model.pdb");
+
+ // for (vector<Point3D>::iterator iter = vp.begin();
+ // iter != vp.end(); ++iter){
+ // cout << *iter << endl;
+ //}
+
+ lm.DistDistribution(vp);
+ Array2D<double> pr(lm.GetPr());
+ //for(int i = 0; i< pr.dim1(); ++i)
+ // cout << pr[i][0] << " " << pr[i][1] << " " << pr[i][2] << endl;
+ lm.OutputPR("test.pr");
+ cout << "pass ddfunction, and print out the pr file" <<endl;
+
+ lm.CalculateIQ(&iq1);
+ cout <<"I(Q): \n" ;
+ //for (int i = 0; i< iq1.iq_data.dim1(); i++)
+ // cout << iq1.iq_data[i][0]<< " " << iq1.iq_data[i][1] <<endl;
+}
+
+void test_lores2d(){
+
+ LORESModel lm(0.1);
+
+ Cylinder c1(5,20);
+ c1.SetCenter(0,0,0);
+ c1.SetOrientation(10,20,30);
+ lm.Add(c1,1.0);
+
+ vector<Point3D> vp;
+ lm.GetPoints(vp);
+
+ lm.DistDistributionXY(vp);
+ lm.OutputPR_XY("test2d.pr");
+
+ IQ iq(10,0.001,0.3);
+ lm.CalculateIQ_2D(&iq,10);
+
+ iq.OutputIQ("test2d.iq");
+}
+
+void test_lores2d_qxqy(){
+
+ LORESModel lm(0.1);
+
+ Cylinder c1(5,20);
+ c1.SetCenter(0,0,0);
+ c1.SetOrientation(10,20,30);
+ lm.Add(c1,1.0);
+
+ vector<Point3D> vp;
+ lm.GetPoints(vp);
+
+ lm.DistDistributionXY(vp);
+
+ double aI = lm.CalculateIQ_2D(0.1,0.2);
+
+ cout << " a single I is: "<<aI<<" at Qx,Qy = 0.1,0.2" <<endl;
+}
+
+void test_GetCenter()
+{
+ LORESModel lm(0.1);
+
+ Sphere s1(10);
+ s1.SetCenter(-1,-1,-1);
+ Sphere s2(20);
+ s2.SetCenter(1,1,1);
+
+ lm.Add(s1,1.0);
+ lm.Add(s2,1.0);
+
+ vector<double> center(3);
+ center = lm.GetCenter();
+
+ cout << "center should be (0,0,0) after adding two spheres:"<<endl;
+ cout << center[0] <<" "<< center[1] <<" "<< center[2]<<endl;
+
+}
+
+void test_CalSingleI(){
+ LORESModel lm(0.1);
+
+ Cylinder cyn(10,40);
+
+ lm.Add(cyn,1.0);
+
+ vector<Point3D> vp;
+ lm.GetPoints(vp);
+
+ lm.DistDistribution(vp);
+
+ double result = lm.CalculateIQ(0.1);
+ cout << "The I(0.1) is: " << result << endl;
+}
+
+int main(){
+
+ printf("this\n");
+ cout << "Start" << endl;
+ //test_lores();
+ cout <<"testing DistDistributionXY"<<endl;
+ test_lores2d();
+
+ cout <<"testing GetCenter (center of the list of shapes)"<<endl;
+ test_GetCenter();
+
+ cout <<"testing calculate_2d(Qx,Qy)"<<endl;
+ test_lores2d_qxqy();
+ cout << "Pass" << endl;
+
+ cout <<"testing CalculateIQ(q)"<<endl;
+ test_CalSingleI();
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores.py b/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores.py
new file mode 100644
index 0000000..4ff42a1
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores.py
@@ -0,0 +1,63 @@
+if __name__ == "__main__":
+
+ from sasModeling.iqPy import iqPy
+ #from sasModeling.analmodelpy import analmodelpy as analmodelpymodule
+ from sasModeling.geoshapespy import geoshapespy
+ from sasModeling.pointsmodelpy import pointsmodelpy
+
+# print "copyright information:"
+# print " ", pointsmodelpy.copyright()
+# print " ", pointsmodelpymodule.copyright()
+
+ print
+ print "module information:"
+ print " file:", pointsmodelpy.__file__
+ print " doc:", pointsmodelpy.__doc__
+ print " contents:", dir(pointsmodelpy)
+ print " contents:", dir(geoshapespy)
+
+# a = geoshapespy.new_singlehelix(10,2,30,2)
+ #a = geoshapespy.new_sphere(20)
+
+ iq = iqPy.new_iq(100,0.001, 0.3)
+
+# geoshapespy.set_orientation(a,20,40,60)
+# geoshapespy.set_center(a,0,0,0)
+ lm = pointsmodelpy.new_loresmodel(0.1)
+# pointsmodelpy.lores_add(lm,a,1.0)
+
+# b = geoshapespy.new_sphere(15)
+# geoshapespy.set_center(b,15,15,15)
+# pointsmodelpy.lores_add(lm,b,2.0)
+
+
+ c = geoshapespy.new_cylinder(10,40)
+ geoshapespy.set_center(c,1,1,1)
+ geoshapespy.set_orientation(c,0,0,0)
+ pointsmodelpy.lores_add(lm,c,3.0)
+
+# d = geoshapespy.new_ellipsoid(10,8,6)
+# geoshapespy.set_center(d,3,3,3)
+# geoshapespy.set_orientation(c,30,30,30)
+# pointsmodelpy.lores_add(lm,d,1.0)
+
+ vp = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_lorespoints(lm,vp)
+ pointsmodelpy.outputPDB(lm,vp,"modelpy.pseudo.pdb")
+
+ print "calculating distance distribution"
+ rmax = pointsmodelpy.get_lores_pr(lm,vp)
+ print "finish calculating get_lores_pr, and rmax is:", rmax
+ pointsmodelpy.outputPR(lm,"testlores.pr")
+ pointsmodelpy.get_lores_iq(lm,iq)
+
+ iqPy.OutputIQ(iq, "testlores.iq")
+
+ print "Testing get I from a single q"
+ result = pointsmodelpy.get_lores_i(lm,0.1)
+ print "The I(0.1) is: %s" % str(result)
+
+# version
+__id__ = "$Id$"
+
+# End of file
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores2d.py b/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores2d.py
new file mode 100644
index 0000000..39bbab0
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testlores2d.py
@@ -0,0 +1,115 @@
+def test_lores2d(phi):
+ from sasModeling.pointsmodelpy import pointsmodelpy
+ from sasModeling.iqPy import iqPy
+ from sasModeling.geoshapespy import geoshapespy
+
+ #lores model is to hold several geometric objects
+ lm = pointsmodelpy.new_loresmodel(0.1)
+
+ #generate single geometry shape
+ c = geoshapespy.new_cylinder(10,40)
+ geoshapespy.set_center(c,1,1,1)
+ geoshapespy.set_orientation(c,0,0,0)
+
+ #add single geometry shape to lores model
+ pointsmodelpy.lores_add(lm,c,3.0)
+
+ #retrieve the points from lores model for sas calculation
+ vp = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_lorespoints(lm,vp)
+
+ #Calculate I(Q) and P(r) 2D
+ pointsmodelpy.distdistribution_xy(lm,vp)
+ pointsmodelpy.outputPR_xy(lm,"out_xy.pr")
+ iq = iqPy.new_iq(100,0.001, 0.3)
+ pointsmodelpy.calculateIQ_2D(lm,iq,phi)
+ iqPy.OutputIQ(iq, "out_xy.iq")
+
+def get2d():
+ from math import pi
+ from Numeric import arange,zeros
+ from enthought.util.numerix import Float,zeros
+ from sasModeling.file2array import readfile2array
+ from sasModeling.pointsmodelpy import pointsmodelpy
+ from sasModeling.geoshapespy import geoshapespy
+
+ lm = pointsmodelpy.new_loresmodel(0.1)
+ sph = geoshapespy.new_sphere(20)
+ pointsmodelpy.lores_add(lm,sph,1.0)
+
+ vp = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_lorespoints(lm,vp)
+
+ pointsmodelpy.distdistribution_xy(lm,vp)
+
+ value_grid = zeros((100,100),Float)
+ width, height = value_grid.shape
+ print width,height
+
+ I = pointsmodelpy.calculateI_Qxy(lm,0.00001,0.000002)
+ print I
+
+ Imax = 0
+ for i in range(width):
+ for j in range(height):
+ qx = float(i-50)/200.0
+ qy = float(j-50)/200.0
+ value_grid[i,j] = pointsmodelpy.calculateI_Qxy(lm,qx,qy)
+ if value_grid[i][j] > Imax:
+ Imax = value_grid[i][j]
+
+ for i in range(width):
+ for j in range(height):
+ value_grid[i][j] = value_grid[i][j]/Imax
+
+ value_grid[50,50] = 1
+ return value_grid
+
+def get2d_2():
+ from math import pi
+ from Numeric import arange,zeros
+ from enthought.util.numerix import Float,zeros
+ from sasModeling.file2array import readfile2array
+ from sasModeling.pointsmodelpy import pointsmodelpy
+ from sasModeling.geoshapespy import geoshapespy
+
+ lm = pointsmodelpy.new_loresmodel(0.1)
+ cyn = geoshapespy.new_cylinder(5,20)
+ geoshapespy.set_orientation(cyn,0,0,90)
+ pointsmodelpy.lores_add(lm,cyn,1.0)
+
+ vp = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_lorespoints(lm,vp)
+
+ pointsmodelpy.distdistribution_xy(lm,vp)
+
+ value_grid = zeros((100,100),Float)
+ width, height = value_grid.shape
+ print width,height
+
+ I = pointsmodelpy.calculateI_Qxy(lm,0.00001,0.000002)
+ print I
+
+ Imax = 0
+ for i in range(width):
+ for j in range(height):
+ qx = float(i-50)/200.0
+ qy = float(j-50)/200.0
+ value_grid[i,j] = pointsmodelpy.calculateI_Qxy(lm,qx,qy)
+ if value_grid[i][j] > Imax:
+ Imax = value_grid[i][j]
+
+ for i in range(width):
+ for j in range(height):
+ value_grid[i][j] = value_grid[i][j]/Imax
+
+ value_grid[50,50] = 1
+ return value_grid
+
+if __name__ == "__main__":
+
+ print "start to test lores 2D"
+# test_lores2d(10)
+ value_grid = get2d_2()
+ print value_grid
+ print "pass"
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testnegativepr.py b/src/sas/sascalc/simulation/pointsmodelpy/tests/testnegativepr.py
new file mode 100644
index 0000000..94741a5
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testnegativepr.py
@@ -0,0 +1,16 @@
+if __name__ == "__main__":
+ from sasModeling.pointsmodelpy import pointsmodelpy
+ from sasModeling.iqPy import iqPy
+ from sasModeling.geoshapespy import geoshapespy
+
+ a = geoshapespy.new_sphere(10)
+ lm = pointsmodelpy.new_loresmodel(0.0005)
+ pointsmodelpy.lores_add(lm,a,1.0)
+ b = geoshapespy.new_sphere(20)
+ geoshapespy.set_center(b,20,20,20)
+ pointsmodelpy.lores_add(lm,b,-1.0)
+
+ vp = pointsmodelpy.new_point3dvec()
+ pointsmodelpy.get_lorespoints(lm,vp)
+
+ pointsmodelpy.get_lores_pr(lm,vp)
diff --git a/src/sas/sascalc/simulation/pointsmodelpy/tests/testpdb.cc b/src/sas/sascalc/simulation/pointsmodelpy/tests/testpdb.cc
new file mode 100644
index 0000000..b4d93d2
--- /dev/null
+++ b/src/sas/sascalc/simulation/pointsmodelpy/tests/testpdb.cc
@@ -0,0 +1,42 @@
+#include "pdb_model.h"
+#include "Point3D.h"
+#include <vector>
+#include <string>
+#include "iq.h"
+
+typedef vector<Point3D> PointsVector;
+
+int main(){
+
+ //Test PDB with adding one normal pdb file
+ PointsVector vp;
+ IQ iq(100,0.001,0.3);
+
+ string name("test.pdb");
+
+ //initialize a PDBModel with a pdb file name
+ PDBModel mpdb;
+ mpdb.AddPDB(name);
+ //parse coordinates in pdb file into a vector
+ //of points
+ mpdb.GetPoints(vp);
+ //output the vector of points into a pseudo pdb
+ //file, for testing only
+ mpdb.OutputPDB(vp,"testpdb.pdb");
+ mpdb.DistDistribution(vp);
+ mpdb.OutputPR("test.pr");
+ mpdb.CalculateIQ(&iq);
+ iq.OutputIQ("test.iq");
+ cout << "check test.pr and test.iq files" <<endl;
+
+
+ //second test: add second pdb file
+ vector<Point3D> vp2;
+ string second("test2.pdb");
+ mpdb.AddPDB(second);
+ mpdb.GetPoints(vp2);
+ mpdb.OutputPDB(vp2,"testpdb2.pdb");
+ cout <<"check whether testpdb2.pdb has 12 points" <<endl;
+
+ return 0;
+}
diff --git a/src/sas/sascalc/simulation/setup.py b/src/sas/sascalc/simulation/setup.py
new file mode 100644
index 0000000..e93e68a
--- /dev/null
+++ b/src/sas/sascalc/simulation/setup.py
@@ -0,0 +1,110 @@
+"""
+ Installation script for SAS models
+
+ - To compile and install:
+ python setup.py install
+ - To create distribution:
+ python setup.py bdist_wininst
+
+"""
+import sys
+import os
+from distutils.core import setup
+from distutils.core import Extension
+from distutils import util
+from distutils import sysconfig
+
+def get_c_files(path):
+ """
+ Utility function to return all files
+ to be compiled in a directory
+ """
+ clist = []
+ for file in os.listdir(path):
+ if file.endswith(".cc") or file.endswith(".c"):
+ clist.append("%s/%s" % (path, file))
+ return clist
+
+# Top package name
+#pck_top = "sasModeling"
+pck_top = "sas.sascalc.simulation"
+pck_dir = os.path.join("src","sas", "simulation")
+# The temp directory that the compiled files will be put in
+tempdir = "build/temp."+util.get_platform()+'-'+sysconfig.get_python_version()
+if os.name=='nt':
+ tempdir += "/Release"
+
+# List of sub modules
+mod_list = ["iqPy", "geoshapespy", "pointsmodelpy", "analmodelpy"]
+
+# Define package directors, will be extended below
+pck_dirs = {pck_top:pck_dir}
+
+# List of modules to install, will be extende below
+pck_list = [pck_top]
+
+# List of python extensions, will be extended below
+exts = []
+
+# List of include dirs, will be extended below
+incl_dirs = ["iqPy/libiqPy/tnt"]
+
+# List of files to compile, per module, will be extended below
+file_list = {}
+
+# List of dependencies
+deps = {}
+deps["iqPy"] = []
+deps["geoshapespy"] = ["iqPy"]
+deps["analmodelpy"] = ["iqPy", "geoshapespy"]
+deps["pointsmodelpy"] = ["iqPy", "geoshapespy"]
+
+# List of extra objects to link with, per module, will be extended below
+libs = {}
+
+for module in mod_list:
+ temp_path = os.path.join(pck_dir, module, module)
+ pck_dirs["%s.%s" % (pck_top, module)] = temp_path
+ pck_list.append("%s.%s" % (pck_top, module))
+
+ src_m = os.path.join(pck_dir, module, "%smodule" %(module))
+ src_l = os.path.join(pck_dir, module, "lib%s" % (module))
+
+ files = get_c_files(src_m)
+ list_lib = get_c_files(src_l)
+
+ libs[module] = []
+ for dep in deps[module]:
+
+ for f in get_c_files(os.path.join(pck_dir, dep, "lib%s" % dep)):
+ index = f.rindex('.')
+ if os.name=='nt':
+ fo = f[:index]+'.obj'
+ else:
+ fo = f[:index]+'.o'
+ libs[module].append("%s/%s" %(tempdir, fo))
+
+ files.extend(list_lib)
+ file_list[module] = files
+
+ incl_dirs.append(src_m)
+ incl_dirs.append(src_l)
+
+for module in mod_list:
+ exts.append( Extension("%s.%s.%s" % (pck_top, module, module),
+ sources = file_list[module],
+ extra_objects=libs[module],
+ include_dirs=incl_dirs) )
+
+setup(
+ name="sasrealspace_modeling",
+ version = "0.2",
+ description = "Python module for SAS simulation",
+ author = "University of Tennessee",
+ url = "http://danse.us/trac/sas",
+ package_dir = pck_dirs,
+ packages = pck_list,
+ ext_modules = exts)
+
+
+
\ No newline at end of file
diff --git a/src/sas/sasgui/__init__.py b/src/sas/sasgui/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sasgui/guiframe/.current_version b/src/sas/sasgui/guiframe/.current_version
new file mode 100644
index 0000000..373f8c6
--- /dev/null
+++ b/src/sas/sasgui/guiframe/.current_version
@@ -0,0 +1 @@
+0.2.3
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/CategoryInstaller.py b/src/sas/sasgui/guiframe/CategoryInstaller.py
new file mode 100644
index 0000000..c35cb18
--- /dev/null
+++ b/src/sas/sasgui/guiframe/CategoryInstaller.py
@@ -0,0 +1,177 @@
+"""
+Class for making sure all category stuff is installed
+and works fine.
+
+Copyright (c) Institut Laue-Langevin 2012
+
+ at author kieranrcampbell at gmail.com
+ at modified by NIST/MD sasview team
+"""
+
+import os
+import sys
+import json
+import logging
+from collections import defaultdict, OrderedDict
+
+USER_FILE = 'categories.json'
+
+class CategoryInstaller:
+ """
+ Class for making sure all category stuff is installed
+
+ Note - class is entirely static!
+ """
+
+ def __init__(self):
+ """ initialization """
+
+ @staticmethod
+ def _get_installed_model_dir():
+ """
+ returns the dir where installed_models.txt should be
+ """
+ import sas.sascalc.dataloader.readers
+ return sas.sascalc.dataloader.readers.get_data_path()
+
+ @staticmethod
+ def _get_models_py_dir():
+ """
+ returns the dir where models.py should be
+ """
+ import sas.sasgui.perspectives.fitting.models
+ return sas.sasgui.perspectives.fitting.models.get_model_python_path()
+
+ @staticmethod
+ def _get_default_cat_file_dir():
+ """
+ returns the dir where default_cat.j should be
+ """
+ # The default categories file is usually found with the code, except
+ # when deploying using py2app (it will be in Contents/Resources), or
+ # py2exe (it will be in the exec dir).
+ import sas.sasview
+ cat_file = "default_categories.json"
+
+ possible_cat_file_paths = [
+ os.path.join(os.path.split(sas.sasview.__file__)[0], cat_file), # Source
+ os.path.join(os.path.dirname(sys.executable), '..', 'Resources', cat_file), # Mac
+ os.path.join(os.path.dirname(sys.executable), cat_file) # Windows
+ ]
+
+ for path in possible_cat_file_paths:
+ if os.path.isfile(path):
+ return os.path.dirname(path)
+
+ raise RuntimeError('CategoryInstaller: Could not find folder containing default categories')
+
+ @staticmethod
+ def _get_home_dir():
+ """
+ returns the users sasview config dir
+ """
+ return os.path.join(os.path.expanduser("~"), ".sasview")
+
+ @staticmethod
+ def _regenerate_model_dict(master_category_dict):
+ """
+ regenerates self.by_model_dict which has each model name as the key
+ and the list of categories belonging to that model
+ along with the enabled mapping
+ returns tuplet (by_model_dict, model_enabled_dict)
+ """
+ by_model_dict = defaultdict(list)
+ model_enabled_dict = defaultdict(bool)
+
+ for category in master_category_dict:
+ for (model, enabled) in master_category_dict[category]:
+ by_model_dict[model].append(category)
+ model_enabled_dict[model] = enabled
+
+ return (by_model_dict, model_enabled_dict)
+
+ @staticmethod
+ def _regenerate_master_dict(by_model_dict, model_enabled_dict):
+ """
+ regenerates master_category_dict from by_model_dict
+ and model_enabled_dict
+ returns the master category dictionary
+ """
+ master_category_dict = defaultdict(list)
+ for model in by_model_dict:
+ for category in by_model_dict[model]:
+ master_category_dict[category].append(\
+ (model, model_enabled_dict[model]))
+ return OrderedDict(sorted(master_category_dict.items(), key=lambda t: t[0]))
+
+ @staticmethod
+ def get_user_file():
+ """
+ returns the user data file, eg .sasview/categories.json.json
+ """
+ return os.path.join(CategoryInstaller._get_home_dir(), USER_FILE)
+
+ @staticmethod
+ def get_default_file():
+ logging.warning("CategoryInstaller.get_default_file is deprecated.")
+
+ @staticmethod
+ def check_install(homedir = None, model_list=None):
+ """
+ the main method of this class
+ makes sure categories.json exists and if not
+ compile it and install
+ :param homefile: Override the default home directory
+ :param model_list: List of model names except those in Plugin Models
+ which are user supplied.
+ """
+ _model_dict = { model.name: model for model in model_list}
+ _model_list = _model_dict.keys()
+
+ serialized_file = None
+ if homedir == None:
+ serialized_file = CategoryInstaller.get_user_file()
+ else:
+ serialized_file = os.path.join(homedir, USER_FILE)
+ if os.path.isfile(serialized_file):
+ with open(serialized_file, 'rb') as f:
+ master_category_dict = json.load(f)
+ else:
+ master_category_dict = defaultdict(list)
+
+ (by_model_dict, model_enabled_dict) = \
+ CategoryInstaller._regenerate_model_dict(master_category_dict)
+ add_list = _model_list
+ del_name = False
+ for cat in master_category_dict.keys():
+ for ind in range(len(master_category_dict[cat])):
+ model_name, enabled = master_category_dict[cat][ind]
+ if model_name not in _model_list:
+ del_name = True
+ try:
+ by_model_dict.pop(model_name)
+ model_enabled_dict.pop(model_name)
+ except:
+ logging.error("CategoryInstaller: %s", sys.exc_value)
+ else:
+ add_list.remove(model_name)
+ if del_name or (len(add_list) > 0):
+ for model in add_list:
+ model_enabled_dict[model]= True
+ if _model_dict[model].category is None or len(str(_model_dict[model].category.capitalize())) == 0:
+ by_model_dict[model].append('Uncategorized')
+ else:
+ category = _model_dict[model].category
+ toks = category.split(':')
+ category = toks[-1]
+ toks = category.split('-')
+ capitalized_words = [t.capitalize() for t in toks]
+ category = ' '.join(capitalized_words)
+
+ by_model_dict[model].append(category)
+
+ master_category_dict = \
+ CategoryInstaller._regenerate_master_dict(by_model_dict,
+ model_enabled_dict)
+
+ json.dump(master_category_dict, open(serialized_file, 'wb'))
diff --git a/src/sas/sasgui/guiframe/CategoryManager.py b/src/sas/sasgui/guiframe/CategoryManager.py
new file mode 100644
index 0000000..ccf8558
--- /dev/null
+++ b/src/sas/sasgui/guiframe/CategoryManager.py
@@ -0,0 +1,586 @@
+#!/usr/bin/python
+
+"""
+This software was developed by Institut Laue-Langevin as part of
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE).
+
+Copyright 2012 Institut Laue-Langevin
+
+"""
+
+
+import wx
+import sys
+import os
+import logging
+from wx.lib.mixins.listctrl import CheckListCtrlMixin, ListCtrlAutoWidthMixin
+from collections import defaultdict
+import json
+from sas.sasgui.guiframe.events import ChangeCategoryEvent
+from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller
+IS_MAC = (sys.platform == 'darwin')
+
+""" Notes
+The category manager mechanism works from 3 data structures used:
+- self.master_category_dict: keys are the names of categories,
+the values are lists of tuples,
+the first being the model names (the models belonging to that
+category), the second a boolean
+of whether or not the model is enabled
+- self.by_model_dict: keys are model names, values are a list
+of categories belonging to that model
+- self.model_enabled_dict: keys are model names, values are
+bools of whether the model is enabled
+use self._regenerate_model_dict() to create the latter two
+structures from the former
+use self._regenerate_master_dict() to create the first
+structure from the latter two
+
+The need for so many data structures comes from the fact
+sometimes we need fast access
+to all the models in a category (eg user selection from the gui)
+and sometimes we need access to all the categories
+corresponding to a model (eg user modification of model categories)
+
+"""
+
+
+
+class CheckListCtrl(wx.ListCtrl, CheckListCtrlMixin,
+ ListCtrlAutoWidthMixin):
+ """
+ Taken from
+ http://zetcode.com/wxpython/advanced/
+ """
+
+ def __init__(self, parent, callback_func):
+ """
+ Initialization
+ :param parent: Parent window
+ :param callback_func: A function to be called when
+ an element is clicked
+ """
+ wx.ListCtrl.__init__(self, parent, -1, style=wx.LC_REPORT \
+ | wx.SUNKEN_BORDER)
+ CheckListCtrlMixin.__init__(self)
+ ListCtrlAutoWidthMixin.__init__(self)
+
+ self.callback_func = callback_func
+
+ def OnCheckItem(self, index, flag):
+ """
+ When the user checks the item we need to save that state
+ """
+ self.callback_func(index, flag)
+
+
+class CategoryManager(wx.Frame):
+ """
+ A class for managing categories
+ """
+ def __init__(self, parent, win_id, title):
+ """
+ Category Manager Dialog class. This is the class that is used to
+ bring up a dialog box allowing the user to create new model categories
+ and to add and remove models from a given category allowing complete
+ user customization of categories for models. This and Category
+ Installer provide the mecahnisms for creating the category dictionary
+ which is saved as a json file so that categories remain persistent
+ from session to session
+ :param win_id: A new wx ID
+ :param title: Title for the window
+ """
+
+ # make sure the category file is where it should be
+ self.performance_blocking = False
+
+ # get the current status of model categorization (from the dictionary)
+ self.master_category_dict = defaultdict(list)
+ self.by_model_dict = defaultdict(list)
+ self.model_enabled_dict = defaultdict(bool)
+
+ #----------Initialize panels, frames, and sizers ------------
+ # the whole panel is panel of hbox (a horizontal sizer and contains
+ # the left_pane (vbox2 sizer) which houses all the buttons and
+ # the right_pane (vbox sizer) which houses the current model/category
+ #list)
+ # Comments added June 14, 2015 -PDB
+ wx.Frame.__init__(self, parent, win_id, title, size=(660, 400))
+
+ panel = wx.Panel(self, -1)
+ self.parent = parent
+
+ self._read_category_info()
+
+
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ hbox = wx.BoxSizer(wx.HORIZONTAL)
+
+ left_panel = wx.Panel(panel, -1)
+ right_panel = wx.Panel(panel, -1)
+
+ self.cat_list = CheckListCtrl(right_panel, self._on_check)
+ self.cat_list.InsertColumn(0, 'Model', width = 280)
+ self.cat_list.InsertColumn(1, 'Category', width = 240)
+
+ self._fill_lists()
+ self._regenerate_model_dict()
+ self._set_enabled()
+
+ #----------button and button layout -----------------------
+ vbox2 = wx.BoxSizer(wx.VERTICAL)
+
+ #Create buttons
+ sel = wx.Button(left_panel, -1, 'Enable All', size=(100, -1))
+ des = wx.Button(left_panel, -1, 'Disable All', size=(100, -1))
+ modify_button = wx.Button(left_panel, -1, 'Modify',
+ size=(100, -1))
+ ok_button = wx.Button(left_panel, -1, 'OK', size=(100, -1))
+ help_button = wx.Button(left_panel, -1, 'HELP', size=(100, -1))
+ cancel_button = wx.Button(left_panel, -1, 'Cancel',
+ size=(100, -1))
+
+
+
+ #bind buttons to action method
+ self.Bind(wx.EVT_BUTTON, self._on_selectall,
+ id=sel.GetId())
+ self.Bind(wx.EVT_BUTTON, self._on_deselectall,
+ id=des.GetId())
+ self.Bind(wx.EVT_BUTTON, self._on_apply,
+ id = modify_button.GetId())
+ self.Bind(wx.EVT_BUTTON, self._on_ok,
+ id = ok_button.GetId())
+ self.Bind(wx.EVT_BUTTON, self._on_help,
+ id = help_button.GetId())
+ self.Bind(wx.EVT_BUTTON, self._on_cancel,
+ id = cancel_button.GetId())
+
+ #add buttons to sizer (vbox2) and convert to panel so displays well
+ #on all platforms
+ vbox2.Add(modify_button, 0, wx.TOP, 10)
+ vbox2.Add((-1, 20))
+ vbox2.Add(sel)
+ vbox2.Add(des)
+ vbox2.Add((-1, 20))
+ vbox2.Add(ok_button)
+ vbox2.Add(help_button)
+ vbox2.Add(cancel_button)
+
+ left_panel.SetSizer(vbox2)
+
+ #--------------------- layout of current cat/model list --------
+ vbox.Add(self.cat_list, 1, wx.EXPAND | wx.TOP, 3)
+ vbox.Add((-1, 10))
+
+
+ right_panel.SetSizer(vbox)
+
+ #-------------- put it all together -----------------
+ hbox.Add(left_panel, 0, wx.EXPAND | wx.RIGHT, 5)
+ hbox.Add(right_panel, 1, wx.EXPAND)
+ hbox.Add((3, -1))
+
+ panel.SetSizer(hbox)
+ self.performance_blocking = True
+
+
+ self.Centre()
+ self.Show(True)
+
+ # gui stuff finished
+
+ def _on_check(self, index, flag):
+ """
+ When the user checks an item we need to immediately save that state.
+ :param index: The index of the checked item
+ :param flag: True or False whether the item was checked
+ """
+ if self.performance_blocking:
+ # for computational reasons we don't want to
+ # call this function every time the gui is set up
+ model_name = self.cat_list.GetItem(index, 0).GetText()
+ self.model_enabled_dict[model_name] = flag
+ self._regenerate_master_dict()
+
+
+ def _fill_lists(self):
+ """
+ Expands lists on the GUI
+ """
+ ## This method loops through all the models in the category by model
+ ## list and for each one converts the dictionary item to a string
+ ## which has of course two terms: the model and the category (in that
+ ## order). The text string however directly reads the quotes, brackets,
+ ## and encoding term (u in our case) and does not understand them
+ ## as dictionary and list separators. Thus we then have to strip those
+ ## out. Also note the text control box, cat_list, has already been made into
+ ## a two column list with a check box.
+ ##
+ ## This works but is ugly to me (should not have to manually strip).
+ ## had to add the u stripping for the json encoding
+ ##
+ ## - PDB April 26, 2014
+ ##
+ self.cat_list.DeleteAllItems()
+ model_name_list = [model for model in self.by_model_dict]
+ model_name_list.sort()
+
+ for model in model_name_list:
+ index = self.cat_list.InsertStringItem(sys.maxint, model)
+ self.cat_list.SetStringItem(index, 1, \
+ str(self.by_model_dict[model]).\
+ replace("u'","").\
+ replace("'","").\
+ replace("[","").\
+ replace("]",""))
+
+
+
+ def _set_enabled(self):
+ """
+ Updates enabled models from self.model_enabled_dict
+ """
+ num = self.cat_list.GetItemCount()
+ for i in range(num):
+ model_name = self.cat_list.GetItem(i, 0).GetText()
+ self.cat_list.CheckItem(i,
+ self.model_enabled_dict[model_name] )
+
+
+
+ def _on_selectall(self, event):
+ """
+ Callback for 'enable all'
+ """
+ self.performance_blocking = False
+ num = self.cat_list.GetItemCount()
+ for i in range(num):
+ self.cat_list.CheckItem(i)
+ for model in self.model_enabled_dict:
+ self.model_enabled_dict[model] = True
+ self._regenerate_master_dict()
+ self.performance_blocking = True
+
+ def _on_deselectall(self, event):
+ """
+ Callback for 'disable all'
+ """
+ self.performance_blocking = False
+ num = self.cat_list.GetItemCount()
+ for i in range(num):
+ self.cat_list.CheckItem(i, False)
+ for model in self.model_enabled_dict:
+ self.model_enabled_dict[model] = False
+ self._regenerate_master_dict()
+ self.performance_blocking = True
+
+ def _on_apply(self, event):
+ """
+ Call up the 'ChangeCat' dialog for category editing
+ """
+
+ if self.cat_list.GetSelectedItemCount() == 0:
+ wx.MessageBox('Please select a model', 'Error',
+ wx.OK | wx.ICON_EXCLAMATION )
+
+ else:
+ selected_model = \
+ self.cat_list.GetItem(\
+ self.cat_list.GetFirstSelected(), 0).GetText()
+
+
+ modify_dialog = ChangeCat(self, selected_model,
+ self._get_cat_list(),
+ self.by_model_dict[selected_model])
+
+ if modify_dialog.ShowModal() == wx.ID_OK:
+ if not IS_MAC:
+ self.dial_ok(modify_dialog, selected_model)
+
+ def dial_ok(self, dialog=None, model=None):
+ """
+ modify_dialog onclose
+ """
+ self.by_model_dict[model] = dialog.get_category()
+ self._regenerate_master_dict()
+ self._fill_lists()
+ self._set_enabled()
+
+
+ def _on_ok(self, event):
+ """
+ Close the manager
+ """
+ self._save_state()
+ evt = ChangeCategoryEvent()
+ wx.PostEvent(self.parent, evt)
+
+ self.Destroy()
+
+ def _on_help(self, event):
+ """
+ Bring up the Category Manager Panel Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ #import documentation window here to avoid circular imports
+ #if put at top of file with rest of imports.
+ from documentation_window import DocumentationWindow
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/fitting_help.html"
+ _PageAnchor = "#category-manager"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, _PageAnchor,
+ "Category Manager Help")
+
+ def _on_cancel(self, event):
+ """
+ On cancel
+ """
+ self.Destroy()
+
+ def _save_state(self):
+ """
+ Serializes categorization info to file
+ """
+
+ self._regenerate_master_dict()
+
+ cat_file = open(CategoryInstaller.get_user_file(), 'wb')
+
+ json.dump(self.master_category_dict, cat_file )
+
+ cat_file.close()
+
+ def _read_category_info(self):
+ """
+ Read in categorization info from file
+ """
+ try:
+ cat_file = CategoryInstaller.get_user_file()
+ self.master_category_dict = {}
+ if os.path.isfile(cat_file):
+ with open(cat_file, 'rb') as f:
+ self.master_category_dict = json.load(f)
+ except IOError:
+ logging.error('Problem reading in category file.')
+
+ self._regenerate_model_dict()
+
+ def _get_cat_list(self):
+ """
+ Returns a simple list of categories
+ """
+ cat_list = list()
+ for category in self.master_category_dict.iterkeys():
+ if not category == 'Uncategorized':
+ cat_list.append(category)
+
+ return cat_list
+
+ def _regenerate_model_dict(self):
+ """
+ regenerates self.by_model_dict which has each model
+ name as the key
+ and the list of categories belonging to that model
+ along with the enabled mapping
+ """
+ self.by_model_dict = defaultdict(list)
+ for category in self.master_category_dict:
+ for (model, enabled) in self.master_category_dict[category]:
+ self.by_model_dict[model].append(category)
+ self.model_enabled_dict[model] = enabled
+
+ def _regenerate_master_dict(self):
+ """
+ regenerates self.master_category_dict from
+ self.by_model_dict and self.model_enabled_dict
+ """
+ self.master_category_dict = defaultdict(list)
+ for model in self.by_model_dict:
+ for category in self.by_model_dict[model]:
+ self.master_category_dict[category].append\
+ ((model, self.model_enabled_dict[model]))
+
+
+
+class ChangeCat(wx.Dialog):
+ """
+ dialog for changing the categories of a model
+ """
+
+ def __init__(self, parent, title, cat_list, current_cats):
+ """
+ Actual editor for a certain category
+ :param parent: Window parent
+ :param title: Window title
+ :param cat_list: List of all categories
+ :param current_cats: List of categories applied to current model
+ """
+ wx.Dialog.__init__(self, parent, title = 'Change Category: '+title, size=(485, 425))
+
+ self.current_cats = current_cats
+ if str(self.current_cats[0]) == 'Uncategorized':
+ self.current_cats = []
+ self.parent = parent
+ self.selcted_model = title
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ self.add_sb = wx.StaticBox(self, label = "Add Category")
+ self.add_sb_sizer = wx.StaticBoxSizer(self.add_sb, wx.VERTICAL)
+ gs = wx.GridSizer(3, 2, 5, 5)
+ self.cat_list = cat_list
+
+ self.cat_text = wx.StaticText(self, label = "Current categories: ")
+ self.current_categories = wx.ListBox(self,
+ choices = self.current_cats
+ , size=(300, 100))
+ self.existing_check = wx.RadioButton(self,
+ label = 'Choose Existing')
+ self.new_check = wx.RadioButton(self, label = 'Create new')
+ self.exist_combo = wx.ComboBox(self, style = wx.CB_READONLY,
+ size=(220,-1), choices = cat_list)
+ self.exist_combo.SetSelection(0)
+
+
+ self.remove_sb = wx.StaticBox(self, label = "Remove Category")
+
+ self.remove_sb_sizer = wx.StaticBoxSizer(self.remove_sb,
+ wx.VERTICAL)
+
+ self.new_text = wx.TextCtrl(self, size=(220, -1))
+ self.ok_button = wx.Button(self, wx.ID_OK, "Done")
+ self.add_button = wx.Button(self, label = "Add")
+ self.add_button.Bind(wx.EVT_BUTTON, self.on_add)
+ self.remove_button = wx.Button(self, label = "Remove Selected")
+ self.remove_button.Bind(wx.EVT_BUTTON, self.on_remove)
+
+ self.existing_check.Bind(wx.EVT_RADIOBUTTON, self.on_existing)
+ self.new_check.Bind(wx.EVT_RADIOBUTTON, self.on_newcat)
+ self.existing_check.SetValue(True)
+
+ vbox.Add(self.cat_text, flag = wx.LEFT | wx.TOP | wx.ALIGN_LEFT,
+ border = 10)
+ vbox.Add(self.current_categories, flag = wx.ALL | wx.EXPAND,
+ border = 10 )
+
+ gs.AddMany( [ (self.existing_check, 5, wx.ALL),
+ (self.exist_combo, 5, wx.ALL),
+ (self.new_check, 5, wx.ALL),
+ (self.new_text, 5, wx.ALL ),
+ ((-1,-1)),
+ (self.add_button, 5, wx.ALL | wx.ALIGN_RIGHT) ] )
+
+ self.add_sb_sizer.Add(gs, proportion = 1, flag = wx.ALL, border = 5)
+ vbox.Add(self.add_sb_sizer, flag = wx.ALL | wx.EXPAND, border = 10)
+
+ self.remove_sb_sizer.Add(self.remove_button, border = 5,
+ flag = wx.ALL | wx.ALIGN_RIGHT)
+ vbox.Add(self.remove_sb_sizer,
+ flag = wx.LEFT | wx.RIGHT | wx.BOTTOM | wx.EXPAND,
+ border = 10)
+ vbox.Add(self.ok_button, flag = wx.ALL | wx.ALIGN_RIGHT,
+ border = 10)
+
+ if self.current_categories.GetCount() > 0:
+ self.current_categories.SetSelection(0)
+ self.new_text.Disable()
+ self.SetSizer(vbox)
+ self.Centre()
+ self.Show(True)
+ if IS_MAC:
+ self.ok_button.Bind(wx.EVT_BUTTON, self.on_ok_mac)
+
+ def on_ok_mac(self, event):
+ """
+ On OK pressed (MAC only)
+ """
+ event.Skip()
+ self.parent.dial_ok(self, self.selcted_model)
+ self.Destroy()
+
+ def on_add(self, event):
+ """
+ Callback for new category added
+ """
+ new_cat = ''
+ if self.existing_check.GetValue():
+ new_cat = str(self.exist_combo.GetValue())
+ else:
+ new_cat = str(self.new_text.GetValue())
+ if new_cat in self.cat_list:
+ wx.MessageBox('%s is already a model' % new_cat, 'Error',
+ wx.OK | wx.ICON_EXCLAMATION )
+ return
+
+ if new_cat in self.current_cats:
+ wx.MessageBox('%s is already included in this model' \
+ % new_cat, 'Error',
+ wx.OK | wx.ICON_EXCLAMATION )
+ return
+
+ self.current_cats.append(new_cat)
+ self.current_categories.SetItems(self.current_cats)
+
+
+ def on_remove(self, event):
+ """
+ Callback for a category removed
+ """
+ if self.current_categories.GetSelection() == wx.NOT_FOUND:
+ wx.MessageBox('Please select a category to remove', 'Error',
+ wx.OK | wx.ICON_EXCLAMATION )
+ else:
+ self.current_categories.Delete( \
+ self.current_categories.GetSelection())
+ self.current_cats = self.current_categories.GetItems()
+
+
+
+ def on_newcat(self, event):
+ """
+ Callback for new category added
+ """
+ self.new_text.Enable()
+ self.exist_combo.Disable()
+
+
+ def on_existing(self, event):
+ """
+ Callback for existing category selected
+ """
+ self.new_text.Disable()
+ self.exist_combo.Enable()
+
+ def get_category(self):
+ """
+ Returns a list of categories applying to this model
+ """
+ if not self.current_cats:
+ self.current_cats.append("Uncategorized")
+
+ ret = list()
+ for cat in self.current_cats:
+ ret.append(str(cat))
+ return ret
+
+if __name__ == '__main__':
+
+
+ if(len(sys.argv) > 1):
+ app = wx.App()
+ CategoryManager(None, -1, 'Category Manager', sys.argv[1])
+ app.MainLoop()
+ else:
+ app = wx.App()
+ CategoryManager(None, -1, 'Category Manager', sys.argv[1])
+ app.MainLoop()
+
diff --git a/src/sas/sasgui/guiframe/__init__.py b/src/sas/sasgui/guiframe/__init__.py
new file mode 100644
index 0000000..bb28595
--- /dev/null
+++ b/src/sas/sasgui/guiframe/__init__.py
@@ -0,0 +1,73 @@
+
+
+import os
+from distutils.filelist import findall
+
+def get_data_path(media):
+ """
+ """
+ # Check for data path in the package
+ path = os.path.join(os.path.dirname(__file__), media)
+ if os.path.isdir(path):
+ return path
+
+ # Check for data path next to exe/zip file.
+ # If we are inside a py2exe zip file, we need to go up
+ # to get to the directory containing
+ # the media for this module
+ path = os.path.dirname(__file__)
+ #Look for maximum n_dir up of the current dir to find media
+ n_dir = 12
+ for i in range(n_dir):
+ path, _ = os.path.split(path)
+ media_path = os.path.join(path, media)
+ if os.path.isdir(media_path):
+ module_media_path = os.path.join(media_path, 'icons')
+ if os.path.isdir(module_media_path):
+ return module_media_path
+ return media_path
+
+ raise RuntimeError('Could not find guiframe images files')
+
+def get_media_path(media):
+ """
+ """
+ # Check for data path in the package
+ path = os.path.join(os.path.dirname(__file__), media)
+ if os.path.isdir(path):
+ return path
+
+ # Check for data path next to exe/zip file.
+ # If we are inside a py2exe zip file, we need to go up
+ # to get to the directory containing
+ # the media for this module
+ path = os.path.dirname(__file__)
+ #Look for maximum n_dir up of the current dir to find media
+ n_dir = 12
+ for i in range(n_dir):
+ path, _ = os.path.split(path)
+ media_path = os.path.join(path, media)
+ if os.path.isdir(media_path):
+ module_media_path = os.path.join(media_path, 'guiframe_media')
+ if os.path.isdir(module_media_path):
+ return module_media_path
+ return media_path
+ raise RuntimeError('Could not find guiframe media files')
+
+def data_files():
+ """
+ Return the data files associated with guiframe images .
+
+ The format is a list of (directory, [files...]) pairs which can be
+ used directly in setup(...,data_files=...) for setup.py.
+
+ """
+ data_files = []
+ path = get_data_path(media="images")
+ for f in findall(path):
+ data_files.append(('images/icons', [f]))
+ path = get_media_path(media="media")
+ for f in findall(path):
+ data_files.append(('media/guiframe_media', [f]))
+
+ return data_files
diff --git a/src/sas/sasgui/guiframe/aboutbox.py b/src/sas/sasgui/guiframe/aboutbox.py
new file mode 100644
index 0000000..1738aa1
--- /dev/null
+++ b/src/sas/sasgui/guiframe/aboutbox.py
@@ -0,0 +1,447 @@
+#!/usr/bin/env python
+########################################################################
+#
+# PDFgui by DANSE Diffraction group
+# Simon J. L. Billinge
+# (c) 2006 trustees of the Michigan State University.
+# All rights reserved.
+#
+# File coded by: Dmitriy Bryndin
+#
+# See AUTHORS.txt for a list of people who contributed.
+# See LICENSE.txt for license information.
+#
+# Modified by U. Tennessee for DANSE/SANS
+########################################################################
+
+# version
+__id__ = "$Id: aboutdialog.py 1193 2007-05-03 17:29:59Z dmitriy $"
+__revision__ = "$Revision: 1193 $"
+
+import wx
+import wx.lib.hyperlink
+import random
+import os.path
+import os
+try:
+ # Try to find a local config
+ import imp
+ path = os.getcwd()
+ if(os.path.isfile("%s/%s.py" % (path, 'local_config'))) or \
+ (os.path.isfile("%s/%s.pyc" % (path, 'local_config'))):
+ fObj, path, descr = imp.find_module('local_config', [path])
+ config = imp.load_module('local_config', fObj, path, descr)
+ else:
+ # Try simply importing local_config
+ import local_config as config
+except:
+ # Didn't find local config, load the default
+ import config
+
+def launchBrowser(url):
+ """
+ Launches browser and opens specified url
+
+ In some cases may require BROWSER environment variable to be set up.
+
+ :param url: URL to open
+
+ """
+ import webbrowser
+ webbrowser.open(url)
+
+
+class DialogAbout(wx.Dialog):
+ """
+ "About" Dialog
+
+ Shows product name, current version, authors, and link to the product page.
+ Current version is taken from version.py
+
+ """
+
+ def __init__(self, *args, **kwds):
+
+ # begin wxGlade: DialogAbout.__init__
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ wx.Dialog.__init__(self, *args, **kwds)
+
+ file_dir = os.path.dirname(__file__)
+
+ # Mac doesn't display images with transparent background so well,
+ # keep it for Windows
+ image = file_dir + "/images/angles_flat.png"
+
+ if os.path.isfile(config._corner_image):
+ image = config._corner_image
+
+ if os.name == 'nt':
+ self.bitmap_logo = wx.StaticBitmap(self, -1, wx.Bitmap(image))
+ else:
+ self.bitmap_logo = wx.StaticBitmap(self, -1, wx.Bitmap(image))
+
+ self.label_title = wx.StaticText(self, -1, config.__appname__)
+ self.label_version = wx.StaticText(self, -1, "")
+ self.label_build = wx.StaticText(self, -1, "Build:")
+ self.label_svnrevision = wx.StaticText(self, -1, "")
+ self.label_copyright = wx.StaticText(self, -1, config._copyright)
+ self.label_author = wx.StaticText(self, -1, "authors")
+ self.hyperlink = wx.lib.hyperlink.HyperLinkCtrl(self, -1,
+ config._homepage,
+ URL=config._homepage)
+ #self.hyperlink_license = wx.lib.hyperlink.HyperLinkCtrl(self, -1,
+ #"Comments? Bugs? Requests?", URL=config._paper)
+ self.hyperlink_license = wx.StaticText(self, -1,
+ "Comments? Bugs? Requests?")
+ self.hyperlink_paper = wx.lib.hyperlink.HyperLinkCtrl(self, -1,
+ "Send us a ticket",
+ URL=config._license)
+ self.hyperlink_download = wx.lib.hyperlink.HyperLinkCtrl(self, -1,
+ "Get the latest version",
+ URL=config._download)
+ self.static_line_1 = wx.StaticLine(self, -1)
+ self.label_acknowledgement = wx.StaticText(self, -1,
+ config._acknowledgement)
+ self.static_line_2 = wx.StaticLine(self, -1)
+ self.bitmap_button_nist = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_umd = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_ornl = wx.BitmapButton(self, -1, wx.NullBitmap)
+ #self.bitmap_button_sns = wx.BitmapButton(self, -1, wx.NullBitmap)
+ #self.bitmap_button_nsf = wx.BitmapButton(self, -1,
+ # wx.NullBitmap)
+ #self.bitmap_button_danse = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_msu = wx.BitmapButton(self, -1, wx.NullBitmap)
+
+ self.bitmap_button_isis = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_ess = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_ill = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_ansto = wx.BitmapButton(self, -1, wx.NullBitmap)
+ self.bitmap_button_tudelft = wx.BitmapButton(self, -1, wx.NullBitmap)
+
+ self.static_line_3 = wx.StaticLine(self, -1)
+ self.button_OK = wx.Button(self, wx.ID_OK, "OK")
+
+ self.__set_properties()
+ self.__do_layout()
+
+ self.Bind(wx.EVT_BUTTON, self.onNistLogo, self.bitmap_button_nist)
+ self.Bind(wx.EVT_BUTTON, self.onUmdLogo, self.bitmap_button_umd)
+ #self.Bind(wx.EVT_BUTTON, self.onSnsLogo, self.bitmap_button_sns)
+ self.Bind(wx.EVT_BUTTON, self.onOrnlLogo, self.bitmap_button_ornl)
+ #self.Bind(wx.EVT_BUTTON, self.onNsfLogo, self.bitmap_button_nsf)
+ #self.Bind(wx.EVT_BUTTON, self.onDanseLogo, self.bitmap_button_danse)
+ self.Bind(wx.EVT_BUTTON, self.onUTLogo, self.bitmap_button_msu)
+ self.Bind(wx.EVT_BUTTON, self.onIsisLogo, self.bitmap_button_isis)
+ self.Bind(wx.EVT_BUTTON, self.onEssLogo, self.bitmap_button_ess)
+ self.Bind(wx.EVT_BUTTON, self.onIllLogo, self.bitmap_button_ill)
+ self.Bind(wx.EVT_BUTTON, self.onAnstoLogo, self.bitmap_button_ansto)
+ self.Bind(wx.EVT_BUTTON, self.onTudelftLogo, self.bitmap_button_tudelft)
+ # end wxGlade
+ # fill in acknowledgements
+ #self.text_ctrl_acknowledgement.SetValue(__acknowledgement__)
+ # randomly shuffle authors' names
+ random.shuffle(config._authors)
+ strLabel = ", ".join(config._authors)
+
+ # display version and svn revison numbers
+ verwords = config.__version__.split('.')
+ version = '.'.join(verwords[:-1])
+ revision = verwords[-1]
+ try:
+ build_num = str(config.__build__)
+ except:
+ build_num = str(config.__version__)
+ self.label_author.SetLabel(strLabel)
+ self.label_version.SetLabel(config.__version__)#(version)
+ self.label_svnrevision.SetLabel(build_num)
+
+ # set bitmaps for logo buttons
+ image = file_dir + "/images/nist_logo.png"
+ if os.path.isfile(config._nist_logo):
+ image = config._nist_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_nist.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/umd_logo.png"
+ if os.path.isfile(config._umd_logo):
+ image = config._umd_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_umd.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/ornl_logo.png"
+ if os.path.isfile(config._ornl_logo):
+ image = config._ornl_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_ornl.SetBitmapLabel(logo)
+
+ """
+ image = file_dir + "/images/sns_logo.png"
+ if os.path.isfile(config._sns_logo):
+ image = config._sns_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_sns.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/nsf_logo.png"
+ if os.path.isfile(config._nsf_logo):
+ image = config._nsf_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_nsf.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/danse_logo.png"
+ if os.path.isfile(config._danse_logo):
+ image = config._danse_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_danse.SetBitmapLabel(logo)
+ """
+ image = file_dir + "/images/utlogo.gif"
+ if os.path.isfile(config._inst_logo):
+ image = config._inst_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_msu.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/isis_logo.png"
+ if os.path.isfile(config._isis_logo):
+ image = config._isis_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_isis.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/ess_logo.png"
+ if os.path.isfile(config._ess_logo):
+ image = config._ess_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_ess.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/ill_logo.png"
+ if os.path.isfile(config._ill_logo):
+ image = config._ill_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_ill.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/ansto_logo.png"
+ if os.path.isfile(config._ansto_logo):
+ image = config._ansto_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_ansto.SetBitmapLabel(logo)
+
+ image = file_dir + "/images/tudelft_logo.png"
+ if os.path.isfile(config._tudelft_logo):
+ image = config._tudelft_logo
+ logo = wx.Bitmap(image)
+ self.bitmap_button_tudelft.SetBitmapLabel(logo)
+
+ # resize dialog window to fit version number nicely
+ if wx.VERSION >= (2, 7, 2, 0):
+ size = [self.GetEffectiveMinSize()[0], self.GetSize()[1]]
+ else:
+ size = [self.GetBestFittingSize()[0], self.GetSize()[1]]
+ self.Fit()
+
+ def __set_properties(self):
+ """
+ """
+ # begin wxGlade: DialogAbout.__set_properties
+ self.SetTitle("About")
+ self.SetSize((600, 595))
+ self.label_title.SetFont(wx.Font(26, wx.DEFAULT, wx.NORMAL,
+ wx.BOLD, 0, ""))
+ self.label_version.SetFont(wx.Font(26, wx.DEFAULT, wx.NORMAL,
+ wx.NORMAL, 0, ""))
+ self.hyperlink_paper.Enable(True)
+ self.bitmap_button_nist.SetSize(self.bitmap_button_nist.GetBestSize())
+ self.bitmap_button_umd.SetSize(self.bitmap_button_umd.GetBestSize())
+ self.bitmap_button_ornl.SetSize(self.bitmap_button_ornl.GetBestSize())
+ #self.bitmap_button_sns.SetSize(self.bitmap_button_sns.GetBestSize())
+ #self.bitmap_button_nsf.SetSize(self.bitmap_button_nsf.GetBestSize())
+ #self.bitmap_button_danse.SetSize(self.bitmap_button_danse.GetBestSize())
+ self.bitmap_button_msu.SetSize(self.bitmap_button_msu.GetBestSize())
+ self.bitmap_button_isis.SetSize(self.bitmap_button_isis.GetBestSize())
+ self.bitmap_button_ess.SetSize(self.bitmap_button_ess.GetBestSize())
+ self.bitmap_button_ill.SetSize(self.bitmap_button_ill.GetBestSize())
+ self.bitmap_button_ansto.SetSize(self.bitmap_button_ansto.GetBestSize())
+ self.bitmap_button_tudelft.SetSize(self.bitmap_button_tudelft.GetBestSize())
+ # end wxGlade
+
+ def __do_layout(self):
+ """
+ """
+ # begin wxGlade: DialogAbout.__do_layout
+ sizer_main = wx.BoxSizer(wx.VERTICAL)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_logos = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_header = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_titles = wx.BoxSizer(wx.VERTICAL)
+ sizer_build = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_title = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_header.Add(self.bitmap_logo, 0, wx.EXPAND, 0)
+ sizer_title.Add(self.label_title, 0,
+ wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 10)
+ sizer_title.Add((20, 20), 0, wx.EXPAND|wx.ADJUST_MINSIZE, 0)
+ sizer_title.Add(self.label_version, 0,
+ wx.RIGHT|wx.ALIGN_BOTTOM|wx.ADJUST_MINSIZE, 10)
+ sizer_titles.Add(sizer_title, 0, wx.EXPAND, 0)
+ sizer_build.Add(self.label_build, 0,
+ wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10)
+ sizer_build.Add(self.label_svnrevision, 0, wx.ADJUST_MINSIZE, 0)
+ sizer_titles.Add(sizer_build, 0, wx.TOP|wx.EXPAND, 5)
+ sizer_titles.Add(self.label_copyright, 0,
+ wx.LEFT|wx.RIGHT|wx.TOP|wx.ADJUST_MINSIZE, 10)
+ sizer_titles.Add(self.label_author, 0,
+ wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10)
+ sizer_titles.Add(self.hyperlink, 0, wx.LEFT|wx.RIGHT, 10)
+ sizer_titles.Add((20, 20), 0, wx.ADJUST_MINSIZE, 0)
+ sizer_titles.Add(self.hyperlink_license, 0, wx.LEFT|wx.RIGHT, 10)
+ sizer_titles.Add(self.hyperlink_paper, 0, wx.LEFT|wx.RIGHT, 10)
+ sizer_titles.Add((20, 20), 0, wx.ADJUST_MINSIZE, 0)
+ sizer_titles.Add(self.hyperlink_download, 0, wx.LEFT|wx.RIGHT, 10)
+ sizer_header.Add(sizer_titles, 0, wx.EXPAND, 0)
+ sizer_main.Add(sizer_header, 0, wx.BOTTOM|wx.EXPAND, 3)
+ sizer_main.Add(self.static_line_1, 0, wx.EXPAND, 0)
+ sizer_main.Add(self.label_acknowledgement, 0,
+ wx.LEFT|wx.TOP|wx.BOTTOM|wx.ADJUST_MINSIZE, 7)
+ sizer_main.Add(self.static_line_2, 0, wx.EXPAND, 0)
+
+ sizer_logos.Add(self.bitmap_button_msu, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ #sizer_logos.Add(self.bitmap_button_danse, 0,
+ # wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ #sizer_logos.Add(self.bitmap_button_nsf, 0,
+ # wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_umd, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_nist, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ #sizer_logos.Add(self.bitmap_button_sns, 0,
+ # wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_ornl, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_isis, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_ess, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_ill, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_ansto, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+ sizer_logos.Add(self.bitmap_button_tudelft, 0,
+ wx.LEFT|wx.ADJUST_MINSIZE, 2)
+
+ sizer_logos.Add((10, 50), 0, wx.ADJUST_MINSIZE, 0)
+ sizer_main.Add(sizer_logos, 0, wx.EXPAND, 0)
+ sizer_main.Add(self.static_line_3, 0, wx.EXPAND, 0)
+ sizer_button.Add((20, 40), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(self.button_OK, 0,
+ wx.RIGHT|wx.ADJUST_MINSIZE|wx.CENTER, 10)
+ sizer_main.Add(sizer_button, 0, wx.EXPAND, 0)
+ self.SetAutoLayout(True)
+ self.SetSizer(sizer_main)
+ self.Layout()
+ self.Centre()
+ # end wxGlade
+
+ def onNistLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._nist_url)
+ event.Skip()
+
+ def onUmdLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._umd_url)
+ event.Skip()
+
+ def onOrnlLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._ornl_url)
+ event.Skip()
+
+ def onSnsLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._sns_url)
+ event.Skip()
+
+ def onNsfLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._nsf_url)
+ event.Skip()
+
+ def onDanseLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._danse_url)
+ event.Skip()
+
+ def onUTLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._inst_url)
+ event.Skip()
+
+ def onIsisLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._isis_url)
+ event.Skip()
+
+ def onEssLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._ess_url)
+ event.Skip()
+
+ def onIllLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._ill_url)
+ event.Skip()
+
+ def onAnstoLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._ansto_url)
+ event.Skip()
+
+ def onTudelftLogo(self, event):
+ """
+ """
+ # wxGlade: DialogAbout.<event_handler>
+ launchBrowser(config._tudelft_url)
+ event.Skip()
+
+# end of class DialogAbout
+
+##### testing code ############################################################
+class MyApp(wx.App):
+ """
+ """
+ def OnInit(self):
+ """
+ """
+ wx.InitAllImageHandlers()
+ dialog = DialogAbout(None, -1, "")
+ self.SetTopWindow(dialog)
+ dialog.ShowModal()
+ dialog.Destroy()
+ return 1
+
+# end of class MyApp
+
+if __name__ == "__main__":
+ app = MyApp(0)
+ app.MainLoop()
+
+##### end of testing code #####################################################
diff --git a/src/sas/sasgui/guiframe/acknowledgebox.py b/src/sas/sasgui/guiframe/acknowledgebox.py
new file mode 100644
index 0000000..aff52d0
--- /dev/null
+++ b/src/sas/sasgui/guiframe/acknowledgebox.py
@@ -0,0 +1,120 @@
+'''
+Created on Feb 18, 2015
+
+ at author: jkrzywon
+'''
+
+__id__ = "$Id: acknoweldgebox.py 2015-18-02 jkrzywon $"
+__revision__ = "$Revision: 1193 $"
+
+import wx
+import wx.richtext
+import wx.lib.hyperlink
+from wx.lib.expando import ExpandoTextCtrl
+import random
+import os.path
+import os
+try:
+ # Try to find a local config
+ import imp
+ path = os.getcwd()
+ if(os.path.isfile("%s/%s.py" % (path, 'local_config'))) or \
+ (os.path.isfile("%s/%s.pyc" % (path, 'local_config'))):
+ fObj, path, descr = imp.find_module('local_config', [path])
+ config = imp.load_module('local_config', fObj, path, descr)
+ else:
+ # Try simply importing local_config
+ import local_config as config
+except:
+ # Didn't find local config, load the default
+ import config
+
+
+class DialogAcknowledge(wx.Dialog):
+ """
+ "Acknowledgement" Dialog Box
+
+ Shows the current method for acknowledging SasView in
+ scholarly publications.
+ """
+
+ def __init__(self, *args, **kwds):
+
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ wx.Dialog.__init__(self, *args, **kwds)
+
+ self.ack = ExpandoTextCtrl(self, style=wx.TE_LEFT|wx.TE_MULTILINE|wx.TE_BESTWRAP|wx.TE_READONLY|wx.TE_NO_VSCROLL)
+ self.ack.SetValue(config._acknowledgement_publications)
+ #self.ack.SetMinSize((-1, 55))
+ self.citation = ExpandoTextCtrl(self, style=wx.TE_LEFT|wx.TE_MULTILINE|wx.TE_BESTWRAP|wx.TE_READONLY|wx.TE_NO_VSCROLL)
+ self.citation.SetValue(config._acknowledgement_citation)
+ self.preamble = wx.StaticText(self, -1, config._acknowledgement_preamble)
+ items = [config._acknowledgement_preamble_bullet1,
+ config._acknowledgement_preamble_bullet2,
+ config._acknowledgement_preamble_bullet3,
+ config._acknowledgement_preamble_bullet4]
+ self.list1 = wx.StaticText(self, -1, "(1) " + items[0])
+ self.list2 = wx.StaticText(self, -1, "(2) " + items[1])
+ self.list3 = wx.StaticText(self, -1, "(3) " + items[2])
+ self.list4 = wx.StaticText(self, -1, "(4) " + items[3])
+ self.static_line = wx.StaticLine(self, 0)
+ self.__set_properties()
+ self.__do_layout()
+
+ def __set_properties(self):
+ """
+ :TODO - add method documentation
+ """
+ # begin wxGlade: DialogAbout.__set_properties
+ self.preamble.SetFont(wx.Font(11, wx.DEFAULT, wx.NORMAL, wx.NORMAL, 0, ""))
+ self.preamble.SetFont(wx.Font(10, wx.DEFAULT, wx.NORMAL, wx.NORMAL, 0, ""))
+ self.SetTitle("Acknowledging SasView")
+ #Increased size of box from (525, 225), SMK, 04/10/16
+ self.SetClientSize((600, 320))
+ # end wxGlade
+
+ def __do_layout(self):
+ """
+ :TODO - add method documentation
+ """
+ # begin wxGlade: DialogAbout.__do_layout
+ sizer_main = wx.BoxSizer(wx.VERTICAL)
+ sizer_titles = wx.BoxSizer(wx.VERTICAL)
+ sizer_titles.Add(self.preamble, 0, wx.ALL|wx.EXPAND, 5)
+ sizer_titles.Add(self.list1, 0, wx.ALL|wx.EXPAND, 5)
+ sizer_titles.Add(self.ack, 0, wx.ALL|wx.EXPAND, 5)
+ sizer_titles.Add(self.list2, 0, wx.ALL|wx.EXPAND, 5)
+ sizer_titles.Add(self.citation, 0, wx.ALL|wx.EXPAND, 5)
+ sizer_titles.Add(self.list3, 0, wx.ALL|wx.EXPAND, 5)
+ #sizer_titles.Add(self.static_line, 0, wx.ALL|wx.EXPAND, 0)
+ sizer_titles.Add(self.list4, 0, wx.ALL|wx.EXPAND, 5)
+ sizer_main.Add(sizer_titles, -1, wx.ALL|wx.EXPAND, 5)
+ self.SetAutoLayout(True)
+ self.SetSizer(sizer_main)
+ self.Layout()
+ self.Centre()
+ #self.SetClientSize(sizer_main.GetSize())
+ # end wxGlade
+
+
+##### testing code ############################################################
+class MyApp(wx.App):
+ """
+ Class for running module as stand alone for testing
+ """
+ def OnInit(self):
+ """
+ Defines an init when running as standalone
+ """
+ wx.InitAllImageHandlers()
+ dialog = DialogAcknowledge(None, -1, "")
+ self.SetTopWindow(dialog)
+ dialog.ShowModal()
+ dialog.Destroy()
+ return 1
+
+# end of class MyApp
+
+if __name__ == "__main__":
+ app = MyApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/config.py b/src/sas/sasgui/guiframe/config.py
new file mode 100644
index 0000000..bc10603
--- /dev/null
+++ b/src/sas/sasgui/guiframe/config.py
@@ -0,0 +1,153 @@
+"""
+ Application settings
+"""
+import time
+import os
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+import sas.sasview
+import logging
+
+# Version of the application
+__appname__ = "SasView"
+__version__ = sas.sasview.__version__
+__build__ = sas.sasview.__build__
+__download_page__ = 'https://github.com/SasView/sasview/releases'
+__update_URL__ = 'http://www.sasview.org/latestversion.json'
+
+# Debug message flag
+__EVT_DEBUG__ = False
+
+# Flag for automated testing
+__TEST__ = False
+
+# Debug message should be written to a file?
+__EVT_DEBUG_2_FILE__ = False
+__EVT_DEBUG_FILENAME__ = "debug.log"
+
+# About box info
+_do_aboutbox = True
+_do_acknowledge = True
+_do_tutorial = True
+_acknowledgement_preamble =\
+'''To ensure the long term support and development of this software please''' +\
+''' remember to:'''
+_acknowledgement_preamble_bullet1 =\
+'''Acknowledge its use in your publications as :'''
+_acknowledgement_preamble_bullet2 =\
+'''Reference SasView as:'''
+_acknowledgement_preamble_bullet3 =\
+'''Reference the model you used if appropriate (see documentation for refs)'''
+_acknowledgement_preamble_bullet4 =\
+'''Send us your reference for our records: developers at sasview.org'''
+_acknowledgement_publications = \
+'''This work benefited from the use of the SasView application, originally developed under NSF Award DMR-0520547. SasView also contains code developed with funding from the EU Horizon 2020 programme under the SINE2020 project Grant No 654000.'''
+_acknowledgement_citation = \
+'''M. Doucet et al. SasView Version 4.1.2, Zenodo, 10.5281/zenodo.825675'''
+
+_acknowledgement = \
+'''This work was originally developed as part of the DANSE project funded by the US NSF under Award DMR-0520547,\n but is currently maintained by a collaboration between UTK, UMD, NIST, ORNL, ISIS, ESS, ILL, ANSTO and TU Delft and the scattering community.\n\n SasView also contains code developed with funding from the EU Horizon 2020 programme under the SINE2020 project (Grant No 654000).\nA list of individual contributors can be found at: https://github.com/orgs/SasView/people
+'''
+
+_homepage = "http://www.sasview.org"
+_download = __download_page__
+_authors = []
+_paper = "http://sourceforge.net/p/sasview/tickets/"
+_license = "mailto:help at sasview.org"
+
+
+icon_path = os.path.abspath(os.path.join(os.path.dirname(__file__), "images"))
+logging.info("icon path: %s" % icon_path)
+media_path = os.path.abspath(os.path.join(os.path.dirname(__file__), "media"))
+test_path = os.path.abspath(os.path.join(os.path.dirname(__file__), "test"))
+
+_nist_logo = os.path.join(icon_path, "nist_logo.png")
+_umd_logo = os.path.join(icon_path, "umd_logo.png")
+_sns_logo = os.path.join(icon_path, "sns_logo.png")
+_ornl_logo = os.path.join(icon_path, "ornl_logo.png")
+_isis_logo = os.path.join(icon_path, "isis_logo.png")
+_ess_logo = os.path.join(icon_path, "ess_logo.png")
+_ill_logo = os.path.join(icon_path, "ill_logo.png")
+_ansto_logo = os.path.join(icon_path, "ansto_logo.png")
+_tudelft_logo = os.path.join(icon_path, "tudelft_logo.png")
+_nsf_logo = os.path.join(icon_path, "nsf_logo.png")
+_danse_logo = os.path.join(icon_path, "danse_logo.png")
+_inst_logo = os.path.join(icon_path, "utlogo.gif")
+_nist_url = "http://www.nist.gov/"
+_umd_url = "http://www.umd.edu/"
+_sns_url = "http://neutrons.ornl.gov/"
+_ornl_url = "http://neutrons.ornl.gov/"
+_nsf_url = "http://www.nsf.gov"
+_isis_url = "http://www.isis.stfc.ac.uk/"
+_ess_url = "http://ess-scandinavia.eu/"
+_ill_url = "http://www.ill.eu/"
+_ansto_url = "http://www.ansto.gov.au/"
+_tudelft_url = "http://www.tnw.tudelft.nl/en/cooperation/facilities/reactor-instituut-delft/"
+_danse_url = "http://www.cacr.caltech.edu/projects/danse/release/index.html"
+_inst_url = "http://www.utk.edu"
+_corner_image = os.path.join(icon_path, "angles_flat.png")
+_welcome_image = os.path.join(icon_path, "SVwelcome.png")
+_copyright = "(c) 2009 - 2017, UTK, UMD, NIST, ORNL, ISIS, ESS, ILL, ANSTO and TU Delft"
+marketplace_url = "http://marketplace.sasview.org/"
+
+#edit the list of file state your plugin can read
+APPLICATION_WLIST = 'SasView files (*.svs)|*.svs'
+APPLICATION_STATE_EXTENSION = '.svs'
+GUIFRAME_WIDTH = 1150
+GUIFRAME_HEIGHT = 840
+PLUGIN_STATE_EXTENSIONS = ['.fitv', '.inv', '.prv', '.crf']
+PLUGINS_WLIST = ['Fitting files (*.fitv)|*.fitv',
+ 'Invariant files (*.inv)|*.inv',
+ 'P(r) files (*.prv)|*.prv',
+ 'Corfunc files (*.crf)|*.crf']
+PLOPANEL_WIDTH = 415
+PLOPANEL_HEIGTH = 370
+DATAPANEL_WIDTH = 235
+DATAPANEL_HEIGHT = 700
+SPLASH_SCREEN_PATH = os.path.join(icon_path, "SVwelcome_mini.png")
+TUTORIAL_PATH = os.path.join(media_path, "Tutorial.pdf")
+DEFAULT_STYLE = GUIFRAME.MULTIPLE_APPLICATIONS|GUIFRAME.MANAGER_ON\
+ |GUIFRAME.CALCULATOR_ON|GUIFRAME.TOOLBAR_ON
+SPLASH_SCREEN_WIDTH = 512
+SPLASH_SCREEN_HEIGHT = 366
+SS_MAX_DISPLAY_TIME = 2000
+WELCOME_PANEL_ON = True
+WELCOME_PANEL_SHOW = False
+CLEANUP_PLOT = False
+# OPEN and SAVE project menu
+OPEN_SAVE_PROJECT_MENU = True
+#VIEW MENU
+VIEW_MENU = True
+#EDIT MENU
+EDIT_MENU = True
+
+SetupIconFile_win = os.path.join(icon_path, "ball.ico")
+SetupIconFile_mac = os.path.join(icon_path, "ball.icns")
+DefaultGroupName = "."
+OutputBaseFilename = "setupSasView"
+
+FIXED_PANEL = True
+DATALOADER_SHOW = True
+CLEANUP_PLOT = False
+WELCOME_PANEL_SHOW = False
+#Show or hide toolbar at the start up
+TOOLBAR_SHOW = True
+# set a default perspective
+DEFAULT_PERSPECTIVE = 'None'
+
+# Time out for updating sasview
+UPDATE_TIMEOUT = 2
+
+#OpenCL option
+SAS_OPENCL = None
+
+def printEVT(message):
+ if __EVT_DEBUG__:
+ """
+ :TODO - Need method doc string
+ """
+ print "%g: %s" % (time.clock(), message)
+
+ if __EVT_DEBUG_2_FILE__:
+ out = open(__EVT_DEBUG_FILENAME__, 'a')
+ out.write("%10g: %s\n" % (time.clock(), message))
+ out.close()
diff --git a/src/sas/sasgui/guiframe/custom_pstats.py b/src/sas/sasgui/guiframe/custom_pstats.py
new file mode 100644
index 0000000..139d17f
--- /dev/null
+++ b/src/sas/sasgui/guiframe/custom_pstats.py
@@ -0,0 +1,118 @@
+
+import cProfile, pstats, os
+def func_std_string(func_name): # match what old profile produced
+ if func_name[:2] == ('~', 0):
+ # special case for built-in functions
+ name = func_name[2]
+ if name.startswith('<') and name.endswith('>'):
+ return '{%s}' % name[1:-1]
+ else:
+ return name
+ else:
+ return "%s:%d(%s)" % func_name
+
+def f8(x):
+ return "%8.3f" % x
+
+class CustomPstats(pstats.Stats):
+ def __init__(self, *args, **kwds):
+ pstats.Stats.__init__(self, *args, **kwds)
+
+ def write_stats(self, *amount):
+ msg = ''
+ for filename in self.files:
+ msg += str(filename) + '\n'
+ #if self.files: msg += str(self.stream) + '\n'
+ indent = ' ' * 8
+ for func in self.top_level:
+ msg += str(indent)+ str(func_get_function_name(func))+"\n"
+
+ msg += str(indent) + str(self.total_calls)+ "function calls" + '\n'
+ if self.total_calls != self.prim_calls:
+ msg += "(%d primitive calls)" % self.prim_calls + '\n'
+ msg += "in %.3f CPU seconds" % self.total_tt + '\n'
+ #msg += str(self.stream) + '\n'
+
+ width = self.max_name_len
+ if self.fcn_list:
+ list = self.fcn_list[:]
+ temp_msg = " Ordered by: " + self.sort_type + '\n'
+ else:
+ list = self.stats.keys()
+ temp_msg = " Random listing order was used\n"
+
+ for selection in amount:
+ list, temp_msg = self.eval_print_amount(selection, list, temp_msg)
+
+ count = len(list)
+
+ if not list:
+ width, list = 0, list
+ else:
+ msg += str(temp_msg) + '\n'
+ if count < len(self.stats):
+ width = 0
+ for func in list:
+ if len(func_std_string(func)) > width:
+ width = len(func_std_string(func))
+
+ width, list = width+2, list
+ if list:
+ msg += ' ncalls tottime percall cumtime percall'
+ msg += ' filename:lineno(function)' + "\n"
+ for func in list:
+ cc, nc, tt, ct, callers = self.stats[func]
+ c = str(nc)
+ if nc != cc:
+ c = c + '/' + str(cc)
+ msg += str( c.rjust(9))
+ msg += str(f8(tt))
+ if nc == 0:
+ msg += str(' '*8)
+ else:
+ msg += str(f8(tt/nc))
+ msg += str(f8(ct))
+ if cc == 0:
+ msg += str( ' '*80)
+ else:
+ msg += str(f8(ct/cc))
+ msg += " " + str(func_std_string(func)) + '\n'
+ msg += str(self.stream) + '\n'
+ #msg += str(self.stream) + '\n'
+ return self, msg
+
+def profile( fn, name='profile.txt',*args, **kw):
+ import cProfile, pstats, os
+ global call_result
+ def call():
+ global call_result
+ call_result = fn(*args, **kw)
+ cProfile.runctx('call()', dict(call=call), {}, 'profile.txt')
+ stats = CustomPstats('profile.txt')
+ #sort by cumlative time
+ stats.sort_stats('time')
+ stats.print_stats(50)
+ """
+ filename = 'profile_cum_' + name
+ _, msg = stats.write_stats(50)
+ f = file(filename, 'wb')
+ f.write(msg)
+ f.close()
+ #sort by time
+ stats.sort_stats('time')
+ _, msg = stats.write_stats(50)
+ filename = 'profile_time_' + name
+ f = file(filename, 'wb')
+ f.write(msg)
+ f.close()
+ # sort by number of calls
+ stats.sort_stats('call')
+ _, msg = stats.write_stats(50)
+ filename = 'profile_call_' + name
+ f = file(filename, 'wb')
+ f.write(msg)
+ f.close()
+ os.unlink('profile.txt')
+ """
+ return call_result
+
diff --git a/src/sas/sasgui/guiframe/customdir.py b/src/sas/sasgui/guiframe/customdir.py
new file mode 100644
index 0000000..4f2d03f
--- /dev/null
+++ b/src/sas/sasgui/guiframe/customdir.py
@@ -0,0 +1,68 @@
+# Setup and find Custom config dir
+import os.path
+import shutil
+
+CONF_DIR = 'config'
+APPLICATION_NAME = 'sasview'
+
+def _find_usersasview_dir():
+ """
+ Find and return user/.sasview dir
+ """
+ return os.path.join(os.path.expanduser("~"), ("." + APPLICATION_NAME))
+
+def _find_customconf_dir():
+ """
+ Find path of the config directory.
+ The plugin directory is located in the user's home directory.
+ """
+ u_dir = _find_usersasview_dir()
+ return os.path.join(u_dir, CONF_DIR)
+
+def _setup_conf_dir(path):
+ """
+ Setup the custom config dir and cat file
+ """
+ conf_dir = _find_customconf_dir()
+ # If the plugin directory doesn't exist, create it
+ if not os.path.isdir(conf_dir):
+ os.makedirs(conf_dir)
+ config_file = os.path.join(conf_dir, "custom_config.py")
+
+ # Place example user models as needed
+ try:
+ if not os.path.isfile(config_file):
+ shutil.copyfile(os.path.join(path, "custom_config.py"), config_file)
+
+ #Adding SAS_OPENCL if it doesn't exist in the config file
+ # - to support backcompability
+ if not "SAS_OPENCL" in open(config_file).read():
+ open(config_file,"a+").write("SAS_OPENCL = \"None\"\n")
+ except:
+ # Check for data path next to exe/zip file.
+ #Look for maximum n_dir up of the current dir to find plugins dir
+ n_dir = 12
+ is_dir = False
+ f_dir = path
+ for i in range(n_dir):
+ if i > 1:
+ f_dir, _ = os.path.split(f_dir)
+ temp_path = os.path.join(f_dir, "custom_config.py")
+ if os.path.isfile(temp_path):
+ shutil.copyfile(temp_path, config_file)
+ is_dir = True
+ break
+ if not is_dir:
+ raise
+ return conf_dir
+
+
+class SetupCustom(object):
+ """
+ implement custom config dir
+ """
+ def find_dir(self):
+ return _find_customconf_dir()
+
+ def setup_dir(self, path):
+ return _setup_conf_dir(path)
diff --git a/src/sas/sasgui/guiframe/dataFitting.py b/src/sas/sasgui/guiframe/dataFitting.py
new file mode 100644
index 0000000..d10c994
--- /dev/null
+++ b/src/sas/sasgui/guiframe/dataFitting.py
@@ -0,0 +1,511 @@
+"""
+Adapters for fitting module
+"""
+import copy
+import numpy
+import math
+from sas.sascalc.data_util.uncertainty import Uncertainty
+from sas.sasgui.plottools.plottables import Data1D as PlotData1D
+from sas.sasgui.plottools.plottables import Data2D as PlotData2D
+from sas.sasgui.plottools.plottables import Theory1D as PlotTheory1D
+
+from sas.sascalc.dataloader.data_info import Data1D as LoadData1D
+from sas.sascalc.dataloader.data_info import Data2D as LoadData2D
+
+
+class Data1D(PlotData1D, LoadData1D):
+ """
+ """
+
+ def __init__(self, x=None, y=None, dx=None, dy=None, lam=None, dlam=None, isSesans=False):
+ """
+ """
+ if x is None:
+ x = []
+ if y is None:
+ y = []
+ self.isSesans = isSesans
+ PlotData1D.__init__(self, x, y, dx, dy, lam, dlam)
+ LoadData1D.__init__(self, x, y, dx, dy, lam, dlam, isSesans)
+
+ self.id = None
+ self.list_group_id = []
+ self.group_id = None
+ self.is_data = True
+ self.path = None
+ self.xtransform = None
+ if self.isSesans:
+ self.xtransform = "x"
+ self.ytransform = None
+ if self.isSesans:
+ self.ytransform = "y"
+ self.title = ""
+ self.scale = None
+
+ def copy_from_datainfo(self, data1d):
+ """
+ copy values of Data1D of type DataLaoder.Data_info
+ """
+ self.x = copy.deepcopy(data1d.x)
+ self.y = copy.deepcopy(data1d.y)
+ self.dy = copy.deepcopy(data1d.dy)
+
+ if hasattr(data1d, "dx"):
+ self.dx = copy.deepcopy(data1d.dx)
+ if hasattr(data1d, "dxl"):
+ self.dxl = copy.deepcopy(data1d.dxl)
+ if hasattr(data1d, "dxw"):
+ self.dxw = copy.deepcopy(data1d.dxw)
+
+ self.xaxis(data1d._xaxis, data1d._xunit)
+ self.yaxis(data1d._yaxis, data1d._yunit)
+ self.title = data1d.title
+
+ def __str__(self):
+ """
+ print data
+ """
+ _str = "%s\n" % LoadData1D.__str__(self)
+
+ return _str
+
+ def _perform_operation(self, other, operation):
+ """
+ """
+ # First, check the data compatibility
+ dy, dy_other = self._validity_check(other)
+ result = Data1D(x=[], y=[], lam=[], dx=None, dy=None, dlam=None)
+ result.clone_without_data(length=len(self.x), clone=self)
+ result.copy_from_datainfo(data1d=self)
+ if self.dxw == None:
+ result.dxw = None
+ else:
+ result.dxw = numpy.zeros(len(self.x))
+ if self.dxl == None:
+ result.dxl = None
+ else:
+ result.dxl = numpy.zeros(len(self.x))
+
+ for i in range(len(self.x)):
+ result.x[i] = self.x[i]
+ if self.dx is not None and len(self.x) == len(self.dx):
+ result.dx[i] = self.dx[i]
+ if self.dxw is not None and len(self.x) == len(self.dxw):
+ result.dxw[i] = self.dxw[i]
+ if self.dxl is not None and len(self.x) == len(self.dxl):
+ result.dxl[i] = self.dxl[i]
+
+ a = Uncertainty(self.y[i], dy[i]**2)
+ if isinstance(other, Data1D):
+ b = Uncertainty(other.y[i], dy_other[i]**2)
+ if other.dx is not None:
+ result.dx[i] *= self.dx[i]
+ result.dx[i] += (other.dx[i]**2)
+ result.dx[i] /= 2
+ result.dx[i] = math.sqrt(result.dx[i])
+ if result.dxl is not None and other.dxl is not None:
+ result.dxl[i] *= self.dxl[i]
+ result.dxl[i] += (other.dxl[i]**2)
+ result.dxl[i] /= 2
+ result.dxl[i] = math.sqrt(result.dxl[i])
+ else:
+ b = other
+
+ output = operation(a, b)
+ result.y[i] = output.x
+ result.dy[i] = math.sqrt(math.fabs(output.variance))
+ return result
+
+ def _perform_union(self, other):
+ """
+ """
+ # First, check the data compatibility
+ self._validity_check_union(other)
+ result = Data1D(x=[], y=[], lam=[], dx=None, dy=None, dlam=None)
+ tot_length = len(self.x) + len(other.x)
+ result = self.clone_without_data(length=tot_length, clone=result)
+ if self.dlam == None or other.dlam is None:
+ result.dlam = None
+ else:
+ result.dlam = numpy.zeros(tot_length)
+ if self.dy == None or other.dy is None:
+ result.dy = None
+ else:
+ result.dy = numpy.zeros(tot_length)
+ if self.dx == None or other.dx is None:
+ result.dx = None
+ else:
+ result.dx = numpy.zeros(tot_length)
+ if self.dxw == None or other.dxw is None:
+ result.dxw = None
+ else:
+ result.dxw = numpy.zeros(tot_length)
+ if self.dxl == None or other.dxl is None:
+ result.dxl = None
+ else:
+ result.dxl = numpy.zeros(tot_length)
+
+ result.x = numpy.append(self.x, other.x)
+ #argsorting
+ ind = numpy.argsort(result.x)
+ result.x = result.x[ind]
+ result.y = numpy.append(self.y, other.y)
+ result.y = result.y[ind]
+ result.lam = numpy.append(self.lam, other.lam)
+ result.lam = result.lam[ind]
+ if result.dlam != None:
+ result.dlam = numpy.append(self.dlam, other.dlam)
+ result.dlam = result.dlam[ind]
+ if result.dy != None:
+ result.dy = numpy.append(self.dy, other.dy)
+ result.dy = result.dy[ind]
+ if result.dx is not None:
+ result.dx = numpy.append(self.dx, other.dx)
+ result.dx = result.dx[ind]
+ if result.dxw is not None:
+ result.dxw = numpy.append(self.dxw, other.dxw)
+ result.dxw = result.dxw[ind]
+ if result.dxl is not None:
+ result.dxl = numpy.append(self.dxl, other.dxl)
+ result.dxl = result.dxl[ind]
+ return result
+
+
+
+class Theory1D(PlotTheory1D, LoadData1D):
+ """
+ """
+ def __init__(self, x=None, y=None, dy=None):
+ """
+ """
+ if x is None:
+ x = []
+ if y is None:
+ y = []
+ PlotTheory1D.__init__(self, x, y, dy)
+ LoadData1D.__init__(self, x, y, dy)
+ self.id = None
+ self.list_group_id = []
+ self.group_id = None
+ self.is_data = True
+ self.path = None
+ self.xtransform = None
+ self.ytransform = None
+ self.title = ""
+ self.scale = None
+
+ def copy_from_datainfo(self, data1d):
+ """
+ copy values of Data1D of type DataLaoder.Data_info
+ """
+ self.x = copy.deepcopy(data1d.x)
+ self.y = copy.deepcopy(data1d.y)
+ self.dy = copy.deepcopy(data1d.dy)
+ if hasattr(data1d, "dx"):
+ self.dx = copy.deepcopy(data1d.dx)
+ if hasattr(data1d, "dxl"):
+ self.dxl = copy.deepcopy(data1d.dxl)
+ if hasattr(data1d, "dxw"):
+ self.dxw = copy.deepcopy(data1d.dxw)
+ self.xaxis(data1d._xaxis, data1d._xunit)
+ self.yaxis(data1d._yaxis, data1d._yunit)
+ self.title = data1d.title
+
+ def __str__(self):
+ """
+ print data
+ """
+ _str = "%s\n" % LoadData1D.__str__(self)
+
+ return _str
+
+ def _perform_operation(self, other, operation):
+ """
+ """
+ # First, check the data compatibility
+ dy, dy_other = self._validity_check(other)
+ result = self.clone_without_data(len(self.x))
+ result.copy_from_datainfo(data1d=self)
+ if self.dxw == None:
+ result.dxw = None
+ else:
+ result.dxw = numpy.zeros(len(self.x))
+ if self.dxl == None:
+ result.dxl = None
+ else:
+ result.dxl = numpy.zeros(len(self.x))
+
+ for i in range(numpy.size(self.x)):
+ result.x[i] = self.x[i]
+ if self.dx is not None and len(self.x) == len(self.dx):
+ result.dx[i] = self.dx[i]
+ if self.dxw is not None and len(self.x) == len(self.dxw):
+ result.dxw[i] = self.dxw[i]
+ if self.dxl is not None and len(self.x) == len(self.dxl):
+ result.dxl[i] = self.dxl[i]
+
+ a = Uncertainty(self.y[i], dy[i]**2)
+ if isinstance(other, Data1D):
+ b = Uncertainty(other.y[i], dy_other[i]**2)
+ if other.dx is not None:
+ result.dx[i] *= self.dx[i]
+ result.dx[i] += (other.dx[i]**2)
+ result.dx[i] /= 2
+ result.dx[i] = math.sqrt(result.dx[i])
+ if result.dxl is not None and other.dxl is not None:
+ result.dxl[i] *= self.dxl[i]
+ other.dxl[i] += (other.dxl[i]**2)
+ result.dxl[i] /= 2
+ result.dxl[i] = math.sqrt(result.dxl[i])
+ if result.dxw is not None and self.dxw is not None:
+ result.dxw[i] *= self.dxw[i]
+ other.dxw[i] += (other.dxw[i]**2)
+ result.dxw[i] /= 2
+ result.dxw[i] = math.sqrt(result.dxw[i])
+ else:
+ b = other
+
+ output = operation(a, b)
+ result.y[i] = output.x
+ result.dy[i] = math.sqrt(math.fabs(output.variance))
+ return result
+
+ def _perform_union(self, other):
+ """
+ """
+ # First, check the data compatibility
+ self._validity_check_union(other)
+ result = Data1D(x=[], y=[], lam=[], dx=None, dy=None, dlam=[])
+ tot_length = len(self.x)+len(other.x)
+ result.clone_without_data(length=tot_length, clone=self)
+ if self.dlam == None or other.dlam is None:
+ result.dlam = None
+ else:
+ result.dlam = numpy.zeros(tot_length)
+ if self.dy == None or other.dy is None:
+ result.dy = None
+ else:
+ result.dy = numpy.zeros(tot_length)
+ if self.dx == None or other.dx is None:
+ result.dx = None
+ else:
+ result.dx = numpy.zeros(tot_length)
+ if self.dxw == None or other.dxw is None:
+ result.dxw = None
+ else:
+ result.dxw = numpy.zeros(tot_length)
+ if self.dxl == None or other.dxl is None:
+ result.dxl = None
+ else:
+ result.dxl = numpy.zeros(tot_length)
+ result.x = numpy.append(self.x, other.x)
+ #argsorting
+ ind = numpy.argsort(result.x)
+ result.x = result.x[ind]
+ result.y = numpy.append(self.y, other.y)
+ result.y = result.y[ind]
+ result.lam = numpy.append(self.lam, other.lam)
+ result.lam = result.lam[ind]
+ if result.dy != None:
+ result.dy = numpy.append(self.dy, other.dy)
+ result.dy = result.dy[ind]
+ if result.dx is not None:
+ result.dx = numpy.append(self.dx, other.dx)
+ result.dx = result.dx[ind]
+ if result.dxw is not None:
+ result.dxw = numpy.append(self.dxw, other.dxw)
+ result.dxw = result.dxw[ind]
+ if result.dxl is not None:
+ result.dxl = numpy.append(self.dxl, other.dxl)
+ result.dxl = result.dxl[ind]
+ return result
+
+
+class Data2D(PlotData2D, LoadData2D):
+ """
+ """
+ def __init__(self, image=None, err_image=None,
+ qx_data=None, qy_data=None, q_data=None,
+ mask=None, dqx_data=None, dqy_data=None,
+ xmin=None, xmax=None, ymin=None, ymax=None,
+ zmin=None, zmax=None):
+ """
+ """
+ PlotData2D.__init__(self, image=image, err_image=err_image,
+ xmin=xmin, xmax=xmax, ymin=ymin, ymax=ymax,
+ zmin=zmin, zmax=zmax, qx_data=qx_data,
+ qy_data=qy_data)
+
+ LoadData2D.__init__(self, data=image, err_data=err_image,
+ qx_data=qx_data, qy_data=qy_data,
+ dqx_data=dqx_data, dqy_data=dqy_data,
+ q_data=q_data, mask=mask)
+ self.id = None
+ self.list_group_id = []
+ self.group_id = None
+ self.is_data = True
+ self.path = None
+ self.xtransform = None
+ self.ytransform = None
+ self.title = ""
+ self.scale = None
+
+ def copy_from_datainfo(self, data2d):
+ """
+ copy value of Data2D of type DataLoader.data_info
+ """
+ self.data = copy.deepcopy(data2d.data)
+ self.qx_data = copy.deepcopy(data2d.qx_data)
+ self.qy_data = copy.deepcopy(data2d.qy_data)
+ self.q_data = copy.deepcopy(data2d.q_data)
+ self.mask = copy.deepcopy(data2d.mask)
+ self.err_data = copy.deepcopy(data2d.err_data)
+ self.x_bins = copy.deepcopy(data2d.x_bins)
+ self.y_bins = copy.deepcopy(data2d.y_bins)
+ if data2d.dqx_data is not None:
+ self.dqx_data = copy.deepcopy(data2d.dqx_data)
+ if data2d.dqy_data is not None:
+ self.dqy_data = copy.deepcopy(data2d.dqy_data)
+ self.xmin = data2d.xmin
+ self.xmax = data2d.xmax
+ self.ymin = data2d.ymin
+ self.ymax = data2d.ymax
+ if hasattr(data2d, "zmin"):
+ self.zmin = data2d.zmin
+ if hasattr(data2d, "zmax"):
+ self.zmax = data2d.zmax
+ self.xaxis(data2d._xaxis, data2d._xunit)
+ self.yaxis(data2d._yaxis, data2d._yunit)
+ self.title = data2d.title
+
+ def __str__(self):
+ """
+ print data
+ """
+ _str = "%s\n" % LoadData2D.__str__(self)
+ return _str
+
+ def _perform_operation(self, other, operation):
+ """
+ Perform 2D operations between data sets
+
+ :param other: other data set
+ :param operation: function defining the operation
+
+ """
+ # First, check the data compatibility
+ dy, dy_other = self._validity_check(other)
+ result = Data2D(image=None, qx_data=None, qy_data=None,
+ q_data=None, err_image=None, xmin=None, xmax=None,
+ ymin=None, ymax=None, zmin=None, zmax=None)
+ result.clone_without_data(len(self.data))
+ result.copy_from_datainfo(data2d=self)
+ result.xmin = self.xmin
+ result.xmax = self.xmax
+ result.ymin = self.ymin
+ result.ymax = self.ymax
+ if self.dqx_data == None or self.dqy_data == None:
+ result.dqx_data = None
+ result.dqy_data = None
+ else:
+ result.dqx_data = numpy.zeros(len(self.data))
+ result.dqy_data = numpy.zeros(len(self.data))
+ for i in range(numpy.size(self.data)):
+ result.data[i] = self.data[i]
+ if self.err_data is not None and \
+ numpy.size(self.data) == numpy.size(self.err_data):
+ result.err_data[i] = self.err_data[i]
+ if self.dqx_data is not None:
+ result.dqx_data[i] = self.dqx_data[i]
+ if self.dqy_data is not None:
+ result.dqy_data[i] = self.dqy_data[i]
+ result.qx_data[i] = self.qx_data[i]
+ result.qy_data[i] = self.qy_data[i]
+ result.q_data[i] = self.q_data[i]
+ result.mask[i] = self.mask[i]
+
+ a = Uncertainty(self.data[i], dy[i]**2)
+ if isinstance(other, Data2D):
+ b = Uncertainty(other.data[i], dy_other[i]**2)
+ if other.dqx_data is not None and \
+ result.dqx_data is not None:
+ result.dqx_data[i] *= self.dqx_data[i]
+ result.dqx_data[i] += (other.dqx_data[i]**2)
+ result.dqx_data[i] /= 2
+ result.dqx_data[i] = math.sqrt(result.dqx_data[i])
+ if other.dqy_data is not None and \
+ result.dqy_data is not None:
+ result.dqy_data[i] *= self.dqy_data[i]
+ result.dqy_data[i] += (other.dqy_data[i]**2)
+ result.dqy_data[i] /= 2
+ result.dqy_data[i] = math.sqrt(result.dqy_data[i])
+ else:
+ b = other
+
+ output = operation(a, b)
+ result.data[i] = output.x
+ result.err_data[i] = math.sqrt(math.fabs(output.variance))
+ return result
+
+ def _perform_union(self, other):
+ """
+ Perform 2D operations between data sets
+
+ :param other: other data set
+ :param operation: function defining the operation
+
+ """
+ # First, check the data compatibility
+ self._validity_check_union(other)
+ result = Data2D(image=None, qx_data=None, qy_data=None,
+ q_data=None, err_image=None, xmin=None, xmax=None,
+ ymin=None, ymax=None, zmin=None, zmax=None)
+ length = len(self.data)
+ tot_length = length + len(other.data)
+ result.clone_without_data(tot_length)
+ result.xmin = self.xmin
+ result.xmax = self.xmax
+ result.ymin = self.ymin
+ result.ymax = self.ymax
+ if self.dqx_data == None or self.dqy_data == None or \
+ other.dqx_data == None or other.dqy_data == None :
+ result.dqx_data = None
+ result.dqy_data = None
+ else:
+ result.dqx_data = numpy.zeros(len(self.data) + \
+ numpy.size(other.data))
+ result.dqy_data = numpy.zeros(len(self.data) + \
+ numpy.size(other.data))
+
+ result.data = numpy.append(self.data, other.data)
+ result.qx_data = numpy.append(self.qx_data, other.qx_data)
+ result.qy_data = numpy.append(self.qy_data, other.qy_data)
+ result.q_data = numpy.append(self.q_data, other.q_data)
+ result.mask = numpy.append(self.mask, other.mask)
+ if result.err_data is not None:
+ result.err_data = numpy.append(self.err_data, other.err_data)
+ if self.dqx_data is not None:
+ result.dqx_data = numpy.append(self.dqx_data, other.dqx_data)
+ if self.dqy_data is not None:
+ result.dqy_data = numpy.append(self.dqy_data, other.dqy_data)
+
+ return result
+
+def check_data_validity(data):
+ """
+ Return True is data is valid enough to compute chisqr, else False
+ """
+ flag = True
+ if data is not None:
+ if issubclass(data.__class__, Data2D):
+ if (data.data is None) or (len(data.data) == 0)\
+ or (len(data.err_data) == 0):
+ flag = False
+ else:
+ if (data.y is None) or (len(data.y) == 0):
+ flag = False
+ if not data.is_data:
+ flag = False
+ else:
+ flag = False
+ return flag
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/data_manager.py b/src/sas/sasgui/guiframe/data_manager.py
new file mode 100644
index 0000000..f6fabb6
--- /dev/null
+++ b/src/sas/sasgui/guiframe/data_manager.py
@@ -0,0 +1,304 @@
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2010, University of Tennessee
+################################################################################
+"""
+This module manages all data loaded into the application. Data_manager makes
+available all data loaded for the current perspective.
+
+All modules "creating Data" posts their data to data_manager .
+Data_manager make these new data available for all other perspectives.
+"""
+import logging
+import os
+import copy
+
+from sas.sasgui.guiframe.data_state import DataState
+from sas.sasgui.guiframe.utils import parse_name
+import sas.sascalc.dataloader.data_info as DataInfo
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.dataFitting import Data2D
+import time
+
+class DataManager(object):
+ """
+ Manage a list of data
+ """
+ def __init__(self):
+ """
+ Store opened path and data object created at the loading time
+ :param auto_plot: if True the datamanager sends data to plotting
+ plugin.
+ :param auto_set_data: if True the datamanager sends to the current
+ perspective
+ """
+ self.stored_data = {}
+ self.message = ""
+ self.data_name_dict = {}
+ self.count = 0
+ self.list_of_id = []
+ self.time_stamp = time.time()
+
+ def __str__(self):
+ _str = ""
+ _str += "No of states is %s \n" % str(len(self.stored_data))
+ n_count = 0
+ for value in self.stored_data.values():
+ n_count += 1
+ _str += "State No %s \n" % str(n_count)
+ _str += str(value) + "\n"
+ return _str
+
+ def create_gui_data(self, data, path=None):
+ """
+ Receive data from loader and create a data to use for guiframe
+ """
+
+ if issubclass(Data2D, data.__class__):
+ new_plot = Data2D(image=None, err_image=None) # For now, isSesans for 2D data is always false
+ else:
+ new_plot = Data1D(x=[], y=[], dx=None, dy=None, lam=None, dlam=None, isSesans=data.isSesans)
+
+
+ #elif data.meta_data['loader'] == 'SESANS':
+ # new_plot = Data1D(x=[], y=[], dx=None, dy=None, lam=None, dlam=None, isSesans=True)
+ #else:
+ # new_plot = Data1D(x=[], y=[], dx=None, dy=None, lam=None, dlam=None) #SESANS check???
+
+ new_plot.copy_from_datainfo(data)
+ data.clone_without_data(clone=new_plot)
+ #creating a name for data
+ title = ""
+ file_name = os.path.basename(path) if path is not None else data.filename
+ if file_name:
+ name = file_name
+ elif data.run:
+ name = data.run[0]
+ else:
+ name = "data"
+ name = self.rename(name)
+ #find title
+ if data.title.strip():
+ title = data.title
+ if title.strip() == "":
+ title = file_name
+
+ if new_plot.filename.strip() == "":
+ new_plot.filename = file_name
+
+ new_plot.name = name
+ new_plot.title = title
+ ## allow to highlight data when plotted
+ new_plot.interactive = True
+ ## when 2 data have the same id override the 1 st plotted
+ self.time_stamp += 1
+ new_plot.id = str(name) + str(self.time_stamp)
+ ##group_id specify on which panel to plot this data
+ new_plot.group_id = str(name) + str(self.time_stamp)
+ new_plot.is_data = True
+ new_plot.path = path
+ new_plot.list_group_id = []
+ ##post data to plot
+ # plot data
+ return new_plot
+
+ def rename(self, name):
+ """
+ rename data
+ """
+ ## name of the data allow to differentiate data when plotted
+ name = parse_name(name=name, expression="_")
+
+ max_char = name.find("[")
+ if max_char < 0:
+ max_char = len(name)
+ name = name[0:max_char]
+
+ if name not in self.data_name_dict:
+ self.data_name_dict[name] = 0
+ else:
+ self.data_name_dict[name] += 1
+ name = name + " [" + str(self.data_name_dict[name]) + "]"
+ return name
+
+
+ def add_data(self, data_list):
+ """
+ receive a list of
+ """
+ for id, data in data_list.iteritems():
+ if id in self.stored_data:
+ msg = "Data manager already stores %s" % str(data.name)
+ msg += ""
+ logging.info(msg)
+ data_state = self.stored_data[id]
+ data_state.data = data
+ else:
+ data_state = DataState(data)
+ data_state.id = id
+ data_state.path = data.path
+ self.stored_data[id] = data_state
+
+ def update_data(self, prev_data, new_data):
+ """
+ """
+ if prev_data.id not in self.stored_data.keys():
+ return None, {}
+ data_state = self.stored_data[prev_data.id]
+ self.stored_data[new_data.id] = data_state.clone()
+ self.stored_data[new_data.id].data = new_data
+ if prev_data.id in self.stored_data.keys():
+ del self.stored_data[prev_data.id]
+ return prev_data.id, {new_data.id: self.stored_data[new_data.id]}
+
+ def update_theory(self, theory, data_id=None, state=None):
+ """
+ """
+ uid = data_id
+ if data_id is None and theory is not None:
+ uid = theory.id
+ if uid in self.stored_data.keys():
+ data_state = self.stored_data[uid]
+ else:
+ data_state = DataState()
+ data_state.uid = uid
+ data_state.set_theory(theory_data=theory, theory_state=state)
+ self.stored_data[uid] = data_state
+ return {uid: self.stored_data[uid]}
+
+
+ def get_message(self):
+ """
+ return message
+ """
+ return self.message
+
+ def get_by_id(self, id_list=None):
+ """
+ """
+ _selected_data = {}
+ _selected_theory_list = {}
+ if id_list is None:
+ return
+ for d_id in self.stored_data:
+ for search_id in id_list:
+ data_state = self.stored_data[d_id]
+ data = data_state.data
+ theory_list = data_state.get_theory()
+ if search_id == d_id:
+ _selected_data[search_id] = data
+ if search_id in theory_list.keys():
+ _selected_theory_list[search_id] = theory_list[search_id]
+
+ return _selected_data, _selected_theory_list
+
+
+ def freeze(self, theory_id):
+ """
+ """
+ return self.freeze_theory(self.stored_data.keys(), theory_id)
+
+ def freeze_theory(self, data_id, theory_id):
+ """
+ """
+ selected_theory = {}
+ for d_id in data_id:
+ if d_id in self.stored_data:
+ data_state = self.stored_data[d_id]
+ theory_list = data_state.get_theory()
+ for t_id in theory_id:
+ if t_id in theory_list.keys():
+ theory_data, theory_state = theory_list[t_id]
+ new_theory = copy.deepcopy(theory_data)
+ new_theory.id = time.time()
+ new_theory.is_data = True
+ new_theory.name += '_@' + \
+ str(new_theory.id)[7:-1].replace('.', '')
+ new_theory.title = new_theory.name
+ new_theory.label = new_theory.name
+ selected_theory[new_theory.id] = DataState(new_theory)
+ self.stored_data[new_theory.id] = \
+ selected_theory[new_theory.id]
+
+ return selected_theory
+
+
+ def delete_data(self, data_id, theory_id=None, delete_all=False):
+ """
+ """
+ for d_id in data_id:
+ if d_id in self.stored_data.keys():
+ data_state = self.stored_data[d_id]
+ if data_state.data.name in self.data_name_dict:
+ del self.data_name_dict[data_state.data.name]
+ del self.stored_data[d_id]
+
+ self.delete_theory(data_id, theory_id)
+ if delete_all:
+ self.stored_data = {}
+ self.data_name_dict = {}
+
+ def delete_theory(self, data_id, theory_id):
+ """
+ """
+ for d_id in data_id:
+ if d_id in self.stored_data:
+ data_state = self.stored_data[d_id]
+ theory_list = data_state.get_theory()
+ if theory_id in theory_list.keys():
+ del theory_list[theory_id]
+ #del pure theory
+ self.delete_by_id(theory_id)
+
+ def delete_by_id(self, id_list=None):
+ """
+ save data and path
+ """
+ for id in id_list:
+ if id in self.stored_data:
+ del self.stored_data[id]
+
+
+ def get_by_name(self, name_list=None):
+ """
+ return a list of data given a list of data names
+ """
+ _selected_data = {}
+ for selected_name in name_list:
+ for id, data_state in self.stored_data.iteritems():
+ if data_state.data.name == selected_name:
+ _selected_data[id] = data_state.data
+ return _selected_data
+
+ def delete_by_name(self, name_list=None):
+ """
+ save data and path
+ """
+ for selected_name in name_list:
+ for id, data_state in self.stored_data.iteritems():
+ if data_state.data.name == selected_name:
+ del self.stored_data[id]
+
+ def get_data_state(self, data_id):
+ """
+ Send list of selected data
+ """
+ _selected_data_state = {}
+ for id in data_id:
+ if id in self.stored_data.keys():
+ _selected_data_state[id] = self.stored_data[id]
+ return _selected_data_state
+
+ def get_all_data(self):
+ """
+ return list of all available data
+ """
+ return self.stored_data
+
+
+
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/data_panel.py b/src/sas/sasgui/guiframe/data_panel.py
new file mode 100644
index 0000000..b8fa874
--- /dev/null
+++ b/src/sas/sasgui/guiframe/data_panel.py
@@ -0,0 +1,1501 @@
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txt
+#
+# copyright 2010, University of Tennessee
+################################################################################
+"""
+This module provides Graphic interface for the data_manager module.
+"""
+import wx
+from wx.build import build_options
+
+import sys
+from wx.lib.scrolledpanel import ScrolledPanel
+import wx.lib.agw.customtreectrl as CT
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.dataFitting import Data2D
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import EVT_DELETE_PLOTPANEL
+from sas.sasgui.guiframe.events import NewLoadDataEvent
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+from sas.sasgui.guiframe.events import NewBatchEvent
+from sas.sascalc.dataloader.loader import Loader
+# from sas.sasgui.guiframe.local_perspectives.plotting.masking \
+# import FloatPanel as QucikPlotDialog
+from sas.sasgui.guiframe.local_perspectives.plotting.SimplePlot \
+ import PlotFrame as QucikPlotDialog
+import sas.sasgui.guiframe.config as config
+
+# Check version
+toks = str(wx.__version__).split('.')
+if int(toks[1]) < 9:
+ if int(toks[2]) < 12:
+ wx_version = 811
+ else:
+ wx_version = 812
+else:
+ wx_version = 900
+
+extension_list = []
+if config.APPLICATION_STATE_EXTENSION is not None:
+ extension_list.append(config.APPLICATION_STATE_EXTENSION)
+EXTENSIONS = config.PLUGIN_STATE_EXTENSIONS + extension_list
+PLUGINS_WLIST = config.PLUGINS_WLIST
+APPLICATION_WLIST = config.APPLICATION_WLIST
+
+# Control panel width
+if sys.platform.count("win32") > 0:
+ PANEL_WIDTH = 235
+ PANEL_HEIGHT = 700
+ CBOX_WIDTH = 140
+ BUTTON_WIDTH = 80
+ FONT_VARIANT = 0
+ IS_MAC = False
+else:
+ PANEL_WIDTH = 255
+ PANEL_HEIGHT = 750
+ CBOX_WIDTH = 155
+ BUTTON_WIDTH = 100
+ FONT_VARIANT = 1
+ IS_MAC = True
+
+STYLE_FLAG = (wx.RAISED_BORDER | CT.TR_HAS_BUTTONS |
+ wx.WANTS_CHARS | CT.TR_HAS_VARIABLE_ROW_HEIGHT)
+
+
+class DataTreeCtrl(CT.CustomTreeCtrl):
+ """
+ Check list control to be used for Data Panel
+ """
+ def __init__(self, parent, root, *args, **kwds):
+ # agwstyle is introduced in wx.2.8.11 but is not working for mac
+ if IS_MAC and wx_version < 812:
+ try:
+ kwds['style'] = STYLE_FLAG
+ CT.CustomTreeCtrl.__init__(self, parent, *args, **kwds)
+ except:
+ del kwds['style']
+ CT.CustomTreeCtrl.__init__(self, parent, *args, **kwds)
+ else:
+ # agwstyle is introduced in wx.2.8.11
+ # argument working only for windows
+ try:
+ kwds['agwStyle'] = STYLE_FLAG
+ CT.CustomTreeCtrl.__init__(self, parent, *args, **kwds)
+ except:
+ try:
+ del kwds['agwStyle']
+ kwds['style'] = STYLE_FLAG
+ CT.CustomTreeCtrl.__init__(self, parent, *args, **kwds)
+ except:
+ del kwds['style']
+ CT.CustomTreeCtrl.__init__(self, parent, *args, **kwds)
+ self.root = self.AddRoot(root)
+
+ def OnCompareItems(self, item1, item2):
+ """
+ Overrides OnCompareItems in wx.TreeCtrl.
+ Used by the SortChildren method.
+ """
+ # Get the item data
+ data_1 = self.GetItemText(item1)
+ data_2 = self.GetItemText(item2)
+ # Compare the item data
+ if data_1 < data_2:
+ return -1
+ elif data_1 > data_2:
+ return 1
+ else:
+ return 0
+
+
+class DataPanel(ScrolledPanel, PanelBase):
+ """
+ This panel displays data available in the application and widgets to
+ interact with data.
+ """
+ # Internal name for the AUI manager
+ window_name = "Data Panel"
+ # Title to appear on top of the window
+ window_caption = "Data Explorer"
+ # type of window
+ window_type = "Data Panel"
+ # Flag to tell the GUI manager that this panel is not
+ # tied to any perspective
+ # ALWAYS_ON = True
+
+ def __init__(self, parent,
+ list=None,
+ size=(PANEL_WIDTH, PANEL_HEIGHT),
+ id=-1,
+ list_of_perspective=None, manager=None, *args, **kwds):
+ # kwds['size'] = size
+ # kwds['style'] = STYLE_FLAG
+ ScrolledPanel.__init__(self, parent=parent, id=id, *args, **kwds)
+ PanelBase.__init__(self, parent)
+ self.SetupScrolling()
+ # Set window's font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.loader = Loader()
+ # Default location
+ self._default_save_location = None
+ self.all_data1d = True
+ self.parent = parent.parent
+ self._manager = manager
+ self.frame = parent
+ if list is None:
+ list = []
+ self.list_of_data = list
+ if list_of_perspective is None:
+ list_of_perspective = []
+ self.list_of_perspective = list_of_perspective
+ self.list_rb_perspectives = []
+ self.list_cb_data = {}
+ self.list_cb_theory = {}
+ self.tree_ctrl = None
+ self.tree_ctrl_theory = None
+ self.perspective_cbox = None
+ # Create context menu for page
+ self.data_menu = None
+ self.popUpMenu = None
+ self.plot3d_id = None
+ self.editmask_id = None
+ # Default attr
+ self.vbox = None
+ self.sizer1 = None
+ self.sizer2 = None
+ self.sizer3 = None
+ self.sizer4 = None
+ self.sizer5 = None
+ self.selection_cbox = None
+ self.bt_add = None
+ self.bt_remove = None
+ self.bt_import = None
+ self.bt_append_plot = None
+ self.bt_plot = None
+ self.bt_freeze = None
+ self.cb_plotpanel = None
+ self.rb_single_mode = None
+ self.rb_batch_mode = None
+
+ self.owner = None
+ self.do_layout()
+ self.fill_cbox_analysis(self.list_of_perspective)
+ self.Bind(wx.EVT_SHOW, self.on_close_page)
+ if self.parent is not None:
+ self.parent.Bind(EVT_DELETE_PLOTPANEL, self._on_delete_plot_panel)
+
+ def do_layout(self):
+ """
+ Create the panel layout
+ """
+ self.define_panel_structure()
+ self.layout_selection()
+ self.layout_data_list()
+ self.layout_batch()
+ self.layout_button()
+
+ def disable_app_combo(self, enable):
+ """
+ Disable app combo box
+ """
+ self.perspective_cbox.Enable(enable)
+
+ def define_panel_structure(self):
+ """
+ Define the skeleton of the panel
+ """
+ w, h = self.parent.GetSize()
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+ self.sizer1 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer1.SetMinSize(wx.Size(w/13, h*2/5))
+
+ self.sizer2 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer3 = wx.FlexGridSizer(9, 2, 4, 1)
+ self.sizer4 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer5 = wx.BoxSizer(wx.VERTICAL)
+
+ self.vbox.Add(self.sizer5, 0, wx.EXPAND | wx.ALL, 1)
+ self.vbox.Add(self.sizer1, 1, wx.EXPAND | wx.ALL, 0)
+ self.vbox.Add(self.sizer2, 0, wx.EXPAND | wx.ALL, 1)
+ self.vbox.Add(self.sizer3, 0, wx.EXPAND | wx.ALL, 10)
+ # self.vbox.Add(self.sizer4, 0, wx.EXPAND|wx.ALL,5)
+
+ self.SetSizer(self.vbox)
+
+ def layout_selection(self):
+ """
+ Create selection option combo box
+ """
+ select_txt = wx.StaticText(self, -1, 'Selection Options')
+ select_txt.SetForegroundColour('blue')
+ self.selection_cbox = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ list_of_options = ['Select all Data',
+ 'Unselect all Data',
+ 'Select all Data 1D',
+ 'Unselect all Data 1D',
+ 'Select all Data 2D',
+ 'Unselect all Data 2D']
+ for option in list_of_options:
+ self.selection_cbox.Append(str(option))
+ self.selection_cbox.SetValue('Select all Data')
+ wx.EVT_COMBOBOX(self.selection_cbox, -1, self._on_selection_type)
+ self.sizer5.AddMany([(select_txt, 0, wx.ALL, 5),
+ (self.selection_cbox, 0, wx.ALL, 5)])
+ self.enable_selection()
+
+ def _on_selection_type(self, event):
+ """
+ Select data according to patterns
+ :param event: UI event
+ """
+ def check_item_and_children(control, check_value=True):
+ self.tree_ctrl.CheckItem(data_ctrl, check_value)
+ if data_ctrl.HasChildren():
+ if check_value and not control.IsExpanded():
+ # Only select children if control is expanded
+ # Always deselect children, regardless (see ticket #259)
+ return
+ for child_ctrl in data_ctrl.GetChildren():
+ self.tree_ctrl.CheckItem(child_ctrl, check_value)
+
+ option = self.selection_cbox.GetValue()
+
+ pos = self.selection_cbox.GetSelection()
+ if pos == wx.NOT_FOUND:
+ return
+ option = self.selection_cbox.GetString(pos)
+ for item in self.list_cb_data.values():
+ data_ctrl, _, _, _, _, _, _, _ = item
+ _, data_class, _ = self.tree_ctrl.GetItemPyData(data_ctrl)
+ if option == 'Select all Data':
+ check_item_and_children(data_ctrl, check_value=True)
+ elif option == 'Unselect all Data':
+ check_item_and_children(data_ctrl, check_value=False)
+ elif option == 'Select all Data 1D':
+ if data_class == 'Data1D':
+ check_item_and_children(data_ctrl, check_value=True)
+ elif option == 'Unselect all Data 1D':
+ if data_class == 'Data1D':
+ check_item_and_children(data_ctrl, check_value=False)
+ elif option == 'Select all Data 2D':
+ if data_class == 'Data2D':
+ check_item_and_children(data_ctrl, check_value=True)
+ elif option == 'Unselect all Data 2D':
+ if data_class == 'Data2D':
+ check_item_and_children(data_ctrl, check_value=False)
+ self.enable_append()
+ self.enable_freeze()
+ self.enable_plot()
+ self.enable_import()
+ self.enable_remove()
+
+ def layout_button(self):
+ """
+ Layout widgets related to buttons
+ """
+ # Load Data Button
+ self.bt_add = wx.Button(self, wx.NewId(), "Load Data",
+ size=(BUTTON_WIDTH, -1))
+ self.bt_add.SetToolTipString("Load data files")
+ wx.EVT_BUTTON(self, self.bt_add.GetId(), self._load_data)
+
+ # Delete Data Button
+ self.bt_remove = wx.Button(self, wx.NewId(), "Delete Data",
+ size=(BUTTON_WIDTH, -1))
+ self.bt_remove.SetToolTipString("Delete data from the application")
+ wx.EVT_BUTTON(self, self.bt_remove.GetId(), self.on_remove)
+
+ # Send data to perspective button
+ self.bt_import = wx.Button(self, wx.NewId(), "Send To",
+ size=(BUTTON_WIDTH, -1))
+ self.bt_import.SetToolTipString("Send Data set to active perspective")
+ wx.EVT_BUTTON(self, self.bt_import.GetId(), self.on_import)
+
+ # Choose perspective to be send data to combo box
+ self.perspective_cbox = wx.ComboBox(self, -1,
+ style=wx.CB_READONLY)
+ if not IS_MAC:
+ self.perspective_cbox.SetMinSize((BUTTON_WIDTH*1.6, -1))
+ wx.EVT_COMBOBOX(self.perspective_cbox, -1,
+ self._on_perspective_selection)
+
+ # Append data to current Graph Button
+ self.bt_append_plot = wx.Button(self, wx.NewId(), "Append Plot To",
+ size=(BUTTON_WIDTH, -1))
+ self.bt_append_plot.SetToolTipString(
+ "Plot the selected data in the active panel")
+ wx.EVT_BUTTON(self, self.bt_append_plot.GetId(), self.on_append_plot)
+
+ # Create a new graph and send data to that new graph button
+ self.bt_plot = wx.Button(self, wx.NewId(), "New Plot",
+ size=(BUTTON_WIDTH, -1))
+ self.bt_plot.SetToolTipString("To trigger plotting")
+ wx.EVT_BUTTON(self, self.bt_plot.GetId(), self.on_plot)
+
+ # Freeze current theory button - becomes a data set and stays on graph
+ self.bt_freeze = wx.Button(self, wx.NewId(), "Freeze Theory",
+ size=(BUTTON_WIDTH, -1))
+ freeze_tip = "To trigger freeze a theory: making a copy\n"
+ freeze_tip += "of the theory checked to Data box,\n"
+ freeze_tip += " so that it can act like a real data set."
+ self.bt_freeze.SetToolTipString(freeze_tip)
+ wx.EVT_BUTTON(self, self.bt_freeze.GetId(), self.on_freeze)
+
+ # select plot to send to combo box (blank if no data)
+ if sys.platform == 'darwin':
+ self.cb_plotpanel = wx.ComboBox(self, -1,
+ style=wx.CB_READONLY)
+ else:
+ self.cb_plotpanel = wx.ComboBox(self, -1,
+ style=wx.CB_READONLY | wx.CB_SORT)
+ wx.EVT_COMBOBOX(self.cb_plotpanel, -1, self._on_plot_selection)
+ self.cb_plotpanel.Disable()
+
+ # Help button
+ self.bt_help = wx.Button(self, wx.NewId(), "HELP",
+ size=(BUTTON_WIDTH, -1))
+ self.bt_help.SetToolTipString("Help for the Data Explorer.")
+ wx.EVT_BUTTON(self, self.bt_help.GetId(), self.on_help)
+
+ self.sizer3.AddMany([(self.bt_add),
+ ((10, 10)),
+ (self.bt_remove),
+ ((10, 10)),
+ (self.bt_freeze),
+ ((10, 10)),
+ (self.bt_plot),
+ ((10, 10)),
+ (self.bt_append_plot),
+ (self.cb_plotpanel,
+ wx.EXPAND | wx.ADJUST_MINSIZE, 5),
+ ((5, 5)),
+ ((5, 5)),
+ (self.bt_import, 0, wx.EXPAND | wx.RIGHT, 5),
+ (self.perspective_cbox,
+ wx.EXPAND | wx.ADJUST_MINSIZE, 5),
+ ((10, 10)),
+ (self.sizer4),
+ ((10, 10)),
+ (self.bt_help, 0, wx.RIGHT, 5)])
+
+ self.sizer3.AddGrowableCol(1, 1)
+ self.show_data_button()
+ self.enable_remove()
+ self.enable_import()
+ self.enable_plot()
+ self.enable_append()
+ self.enable_freeze()
+ self.enable_remove_plot()
+
+ def layout_batch(self):
+ """
+ Set up batch mode options
+ """
+ self.rb_single_mode = wx.RadioButton(self, -1, 'Single Mode',
+ style=wx.RB_GROUP)
+ self.rb_batch_mode = wx.RadioButton(self, -1, 'Batch Mode')
+ self.Bind(wx.EVT_RADIOBUTTON, self.on_single_mode,
+ id=self.rb_single_mode.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.on_batch_mode,
+ id=self.rb_batch_mode.GetId())
+
+ self.rb_single_mode.SetValue(not self.parent.batch_on)
+ self.rb_batch_mode.SetValue(self.parent.batch_on)
+ self.sizer4.AddMany([(self.rb_single_mode, 0, wx.ALL, 4),
+ (self.rb_batch_mode, 0, wx.ALL, 4)])
+
+ def on_single_mode(self, event):
+ """
+ Change to single mode
+ :param event: UI event
+ """
+ if self.parent is not None:
+ wx.PostEvent(self.parent, NewBatchEvent(enable=False))
+
+ def on_batch_mode(self, event):
+ """
+ Change to batch mode
+ :param event: UI event
+ """
+ if self.parent is not None:
+ wx.PostEvent(self.parent,
+ NewBatchEvent(enable=True))
+
+ def _get_data_selection(self, event):
+ """
+ Get data selection from the right click
+ :param event: UI event
+ """
+ data = None
+ # selection = event.GetSelection()
+ id, _, _ = self.FindFocus().GetSelection().GetData()
+ data_list, theory_list = \
+ self.parent.get_data_manager().get_by_id(id_list=[id])
+ if data_list:
+ data = data_list.values()[0]
+ if data is None:
+ data = theory_list.values()[0][0]
+ return data
+
+ def on_edit_data(self, event):
+ """
+ Pop Up Data Editor
+ """
+ data = self._get_data_selection(event)
+ from sas.sasgui.guiframe.local_perspectives.plotting.masking \
+ import MaskPanel as MaskDialog
+
+ panel = MaskDialog(parent=self.parent, base=self,
+ data=data, id=wx.NewId())
+ panel.ShowModal()
+
+ def on_plot_3d(self, event):
+ """
+ Frozen image of 3D
+ """
+ data = self._get_data_selection(event)
+ from sas.sasgui.guiframe.local_perspectives.plotting.masking \
+ import FloatPanel as Float3dDialog
+
+ panel = Float3dDialog(base=self, data=data,
+ dimension=3, id=wx.NewId())
+ panel.ShowModal()
+
+ def on_quick_plot(self, event):
+ """
+ Frozen plot
+ """
+ data = self._get_data_selection(event)
+ if data.__class__.__name__ == "Data2D":
+ dimension = 2
+ else:
+ dimension = 1
+ # panel = QucikPlotDialog(base=self, data=data,
+ # dimension=dimension, id=wx.NewId())
+ frame = QucikPlotDialog(self, -1, "Plot " + data.name, 'log_{10}')
+ self.parent.put_icon(frame)
+ frame.add_plot(data)
+ # frame.SetTitle(title)
+ frame.Show(True)
+ frame.SetFocus()
+ # panel.ShowModal()
+
+ def on_data_info(self, event):
+ """
+ Data Info panel
+ """
+ data = self._get_data_selection(event)
+ if data.__class__.__name__ == "Data2D":
+ self.parent.show_data2d(data, data.name)
+ else:
+ self.parent.show_data1d(data, data.name)
+
+ def on_save_as(self, event):
+ """
+ Save data as a file
+ """
+ data = self._get_data_selection(event)
+ # path = None
+ default_name = data.name
+ if default_name.count('.') > 0:
+ default_name = default_name.split('.')[0]
+ default_name += "_out"
+ if self.parent is not None:
+ if issubclass(data.__class__, Data1D):
+ self.parent.save_data1d(data, default_name)
+ elif issubclass(data.__class__, Data2D):
+ self.parent.save_data2d(data, default_name)
+ else:
+ print "unable to save this type of data"
+
+ def layout_data_list(self):
+ """
+ Add a listcrtl in the panel
+ """
+ # Add splitter
+ w, h = self.parent.GetSize()
+ splitter = wx.SplitterWindow(self)
+ splitter.SetMinimumPaneSize(50)
+ splitter.SetSashGravity(1.0)
+
+ file_sizer = wx.BoxSizer(wx.VERTICAL)
+ file_sizer.SetMinSize(wx.Size(w/13, h*2/5))
+ theory_sizer = wx.BoxSizer(wx.VERTICAL)
+ theory_sizer.SetMinSize(wx.Size(w/13, h*2/5))
+
+ self.tree_ctrl = DataTreeCtrl(parent=splitter,
+ style=wx.SUNKEN_BORDER,
+ root="Available Data")
+
+ self.tree_ctrl.Bind(CT.EVT_TREE_ITEM_CHECKING, self.on_check_item)
+ self.tree_ctrl.Bind(CT.EVT_TREE_ITEM_MENU, self.on_right_click_data)
+ # Create context menu for page
+ self.data_menu = wx.Menu()
+ id = wx.NewId()
+ name = "Data Info"
+ msg = "Show Data Info"
+ self.data_menu.Append(id, name, msg)
+ wx.EVT_MENU(self, id, self.on_data_info)
+
+ id = wx.NewId()
+ name = "Save As"
+ msg = "Save Theory/Data as a file"
+ self.data_menu.Append(id, name, msg)
+ wx.EVT_MENU(self, id, self.on_save_as)
+
+ quickplot_id = wx.NewId()
+ name = "Quick Plot"
+ msg = "Plot the current Data"
+ self.data_menu.Append(quickplot_id, name, msg)
+ wx.EVT_MENU(self, quickplot_id, self.on_quick_plot)
+
+ self.plot3d_id = wx.NewId()
+ name = "Quick 3DPlot (Slow)"
+ msg = "Plot3D the current 2D Data"
+ self.data_menu.Append(self.plot3d_id, name, msg)
+ wx.EVT_MENU(self, self.plot3d_id, self.on_plot_3d)
+
+ self.editmask_id = wx.NewId()
+ name = "Edit Mask"
+ msg = "Edit Mask for the current 2D Data"
+ self.data_menu.Append(self.editmask_id, name, msg)
+ wx.EVT_MENU(self, self.editmask_id, self.on_edit_data)
+
+ self.tree_ctrl_theory = DataTreeCtrl(parent=splitter,
+ style=wx.SUNKEN_BORDER,
+ root="Available Theory")
+ self.tree_ctrl_theory.Bind(CT.EVT_TREE_ITEM_CHECKING,
+ self.on_check_item)
+ self.tree_ctrl_theory.Bind(CT.EVT_TREE_ITEM_MENU,
+ self.on_right_click_theory)
+ splitter.SplitHorizontally(self.tree_ctrl, self.tree_ctrl_theory)
+ self.sizer1.Add(splitter, 1, wx.EXPAND | wx.ALL, 10)
+
+ def on_right_click_theory(self, event):
+ """
+ On click theory data
+ """
+ try:
+ id, data_class_name, _ = \
+ self.tree_ctrl_theory.GetSelection().GetData()
+ _, _ = self.parent.get_data_manager().get_by_id(id_list=[id])
+ except:
+ return
+ if self.data_menu is not None:
+ menu_enable = (data_class_name == "Data2D")
+ self.data_menu.Enable(self.editmask_id, False)
+ self.data_menu.Enable(self.plot3d_id, menu_enable)
+ self.PopupMenu(self.data_menu)
+
+ def on_right_click_data(self, event):
+ """
+ Allow Editing Data
+ """
+ # selection = event.GetSelection()
+ is_data = True
+ try:
+ id, data_class_name, _ = self.tree_ctrl.GetSelection().GetData()
+ data_list, _ = \
+ self.parent.get_data_manager().get_by_id(id_list=[id])
+ if not data_list:
+ is_data = False
+ except:
+ return
+ if self.data_menu is not None:
+ menu_enable = (data_class_name == "Data2D")
+ maskmenu_enable = (menu_enable and is_data)
+ self.data_menu.Enable(self.editmask_id, maskmenu_enable)
+ self.data_menu.Enable(self.plot3d_id, menu_enable)
+ self.PopupMenu(self.data_menu)
+
+ def onContextMenu(self, event):
+ """
+ Retrieve the state selected state
+ """
+ # Skipping the save state functionality for release 0.9.0
+ # return
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(self.popUpMenu, pos)
+
+ def on_check_item(self, event):
+ """
+ On check item
+ """
+ item = event.GetItem()
+ item.Check(not item.IsChecked())
+ self.enable_append()
+ self.enable_freeze()
+ self.enable_plot()
+ self.enable_import()
+ self.enable_remove()
+ event.Skip()
+
+ def fill_cbox_analysis(self, plugin):
+ """
+ fill the combobox with analysis name
+ """
+ self.list_of_perspective = plugin
+ if self.parent is None or \
+ not hasattr(self.parent, "get_current_perspective") or \
+ len(self.list_of_perspective) == 0:
+ return
+ if self.parent is not None and self.perspective_cbox is not None:
+ for plug in self.list_of_perspective:
+ if plug.get_perspective():
+ self.perspective_cbox.Append(plug.sub_menu, plug)
+
+ curr_pers = self.parent.get_current_perspective()
+ if curr_pers:
+ self.perspective_cbox.SetStringSelection(curr_pers.sub_menu)
+ self.enable_import()
+
+ def load_data_list(self, list):
+ """
+ add need data with its theory under the tree
+ """
+ if list:
+ for state_id, dstate in list.iteritems():
+ data = dstate.get_data()
+ theory_list = dstate.get_theory()
+ if data is not None:
+ data_name = str(data.name)
+ data_title = str(data.title)
+ data_run = str(data.run)
+ data_class = data.__class__.__name__
+ path = dstate.get_path()
+ process_list = data.process
+ data_id = data.id
+ s_path = str(path)
+ if state_id not in self.list_cb_data:
+ # new state
+ data_c = self.tree_ctrl.InsertItem(self.tree_ctrl.root,
+ 0, data_name,
+ ct_type=1,
+ data=(data_id, data_class, state_id))
+ data_c.Check(True)
+ d_i_c = self.tree_ctrl.AppendItem(data_c, 'Info')
+ d_t_c = self.tree_ctrl.AppendItem(d_i_c,
+ 'Title: %s' %
+ data_title)
+ r_n_c = self.tree_ctrl.AppendItem(d_i_c,
+ 'Run: %s' % data_run)
+ i_c_c = self.tree_ctrl.AppendItem(d_i_c,
+ 'Type: %s' %
+ data_class)
+ p_c_c = self.tree_ctrl.AppendItem(d_i_c,
+ "Path: '%s'" % s_path)
+ d_p_c = self.tree_ctrl.AppendItem(d_i_c, 'Process')
+
+ for process in process_list:
+ process_str = str(process).replace('\n', ' ')
+ if len(process_str) > 20:
+ process_str = process_str[:20] + ' [...]'
+ self.tree_ctrl.AppendItem(d_p_c, process_str)
+ theory_child = self.tree_ctrl.AppendItem(data_c,
+ "THEORIES")
+ self.list_cb_data[state_id] = [data_c,
+ d_i_c,
+ d_t_c,
+ r_n_c,
+ i_c_c,
+ p_c_c,
+ d_p_c,
+ theory_child]
+ else:
+ data_ctrl_list = self.list_cb_data[state_id]
+ # This state is already display replace it contains
+ data_c, d_i_c, d_t_c, r_n_c, i_c_c, p_c_c, d_p_c, _ \
+ = data_ctrl_list
+ self.tree_ctrl.SetItemText(data_c, data_name)
+ temp = (data_id, data_class, state_id)
+ self.tree_ctrl.SetItemPyData(data_c, temp)
+ self.tree_ctrl.SetItemText(i_c_c,
+ 'Type: %s' % data_class)
+ self.tree_ctrl.SetItemText(p_c_c,
+ 'Path: %s' % s_path)
+ self.tree_ctrl.DeleteChildren(d_p_c)
+ for process in process_list:
+ if not process.is_empty():
+ _ = self.tree_ctrl.AppendItem(d_p_c,
+ process.single_line_desc())
+ wx.CallAfter(self.append_theory, state_id, theory_list)
+ # Sort by data name
+ if self.tree_ctrl.root:
+ self.tree_ctrl.SortChildren(self.tree_ctrl.root)
+ # Expand root if # of data sets > 0
+ if self.tree_ctrl.GetCount() > 0:
+ self.tree_ctrl.root.Expand()
+ self.enable_remove()
+ self.enable_import()
+ self.enable_plot()
+ self.enable_freeze()
+ self.enable_selection()
+
+ def _uncheck_all(self):
+ """
+ Uncheck all check boxes
+ """
+ for item in self.list_cb_data.values():
+ data_ctrl, _, _, _, _, _, _, _ = item
+ self.tree_ctrl.CheckItem(data_ctrl, False)
+ self.enable_append()
+ self.enable_freeze()
+ self.enable_plot()
+ self.enable_import()
+ self.enable_remove()
+
+ def append_theory(self, state_id, theory_list):
+ """
+ append theory object under data from a state of id = state_id
+ replace that theory if already displayed
+ """
+ if not theory_list:
+ return
+ if state_id not in self.list_cb_data.keys():
+ root = self.tree_ctrl_theory.root
+ tree = self.tree_ctrl_theory
+ else:
+ item = self.list_cb_data[state_id]
+ data_c, _, _, _, _, _, _, _ = item
+ root = data_c
+ tree = self.tree_ctrl
+ if root is not None:
+ wx.CallAfter(self.append_theory_helper, tree=tree, root=root,
+ state_id=state_id,
+ theory_list=theory_list)
+ if self.tree_ctrl_theory.GetCount() > 0:
+ self.tree_ctrl_theory.root.Expand()
+
+ def append_theory_helper(self, tree, root, state_id, theory_list):
+ """
+ Append theory helper
+ """
+ if state_id in self.list_cb_theory.keys():
+ # update current list of theory for this data
+ theory_list_ctrl = self.list_cb_theory[state_id]
+
+ for theory_id, item in theory_list.iteritems():
+ theory_data, _ = item
+ if theory_data is None:
+ name = "Unknown"
+ theory_class = "Unknown"
+ theory_id = "Unknown"
+ temp = (None, None, None)
+ else:
+ name = theory_data.name
+ theory_class = theory_data.__class__.__name__
+ theory_id = theory_data.id
+ # if theory_state is not None:
+ # name = theory_state.model.name
+ temp = (theory_id, theory_class, state_id)
+ if theory_id not in theory_list_ctrl:
+ # add new theory
+ t_child = tree.AppendItem(root,
+ name, ct_type=1, data=temp)
+ t_i_c = tree.AppendItem(t_child, 'Info')
+ i_c_c = tree.AppendItem(t_i_c,
+ 'Type: %s' % theory_class)
+ t_p_c = tree.AppendItem(t_i_c, 'Process')
+
+ for process in theory_data.process:
+ tree.AppendItem(t_p_c, process.__str__())
+ theory_list_ctrl[theory_id] = [t_child,
+ i_c_c,
+ t_p_c]
+ else:
+ # replace theory
+ t_child, i_c_c, t_p_c = theory_list_ctrl[theory_id]
+ tree.SetItemText(t_child, name)
+ tree.SetItemPyData(t_child, temp)
+ tree.SetItemText(i_c_c, 'Type: %s' % theory_class)
+ tree.DeleteChildren(t_p_c)
+ for process in theory_data.process:
+ tree.AppendItem(t_p_c, process.__str__())
+
+ else:
+ # data didn't have a theory associated it before
+ theory_list_ctrl = {}
+ for theory_id, item in theory_list.iteritems():
+ theory_data, _ = item
+ if theory_data is not None:
+ name = theory_data.name
+ theory_class = theory_data.__class__.__name__
+ theory_id = theory_data.id
+ # if theory_state is not None:
+ # name = theory_state.model.name
+ temp = (theory_id, theory_class, state_id)
+ t_child = tree.AppendItem(root,
+ name, ct_type=1,
+ data=(theory_data.id, theory_class, state_id))
+ t_i_c = tree.AppendItem(t_child, 'Info')
+ i_c_c = tree.AppendItem(t_i_c,
+ 'Type: %s' % theory_class)
+ t_p_c = tree.AppendItem(t_i_c, 'Process')
+
+ for process in theory_data.process:
+ tree.AppendItem(t_p_c, process.__str__())
+
+ theory_list_ctrl[theory_id] = [t_child, i_c_c, t_p_c]
+ # self.list_cb_theory[data_id] = theory_list_ctrl
+ self.list_cb_theory[state_id] = theory_list_ctrl
+
+ def set_data_helper(self):
+ """
+ Set data helper
+ """
+ data_to_plot = []
+ state_to_plot = []
+ theory_to_plot = []
+ for value in self.list_cb_data.values():
+ item, _, _, _, _, _, _, _ = value
+ if item.IsChecked():
+ data_id, _, state_id = self.tree_ctrl.GetItemPyData(item)
+ data_to_plot.append(data_id)
+ if state_id not in state_to_plot:
+ state_to_plot.append(state_id)
+
+ for theory_dict in self.list_cb_theory.values():
+ for _, value in theory_dict.iteritems():
+ item, _, _ = value
+ if item.IsChecked():
+ theory_id, _, state_id = self.tree_ctrl.GetItemPyData(item)
+ theory_to_plot.append(theory_id)
+ if state_id not in state_to_plot:
+ state_to_plot.append(state_id)
+ return data_to_plot, theory_to_plot, state_to_plot
+
+ def remove_by_id(self, id):
+ """
+ Remove_dat by id
+ """
+ for item in self.list_cb_data.values():
+ data_c, _, _, _, _, _, _, _ = item
+ data_id, _, state_id = self.tree_ctrl.GetItemPyData(data_c)
+ if id == data_id:
+ self.tree_ctrl.Delete(data_c)
+ del self.list_cb_data[state_id]
+ del self.list_cb_theory[data_id]
+
+ def load_error(self, error=None):
+ """
+ Pop up an error message.
+
+ :param error: details error message to be displayed
+ """
+ if error is not None or str(error).strip() != "":
+ dial = wx.MessageDialog(self.parent, str(error),
+ 'Error Loading File',
+ wx.OK | wx.ICON_EXCLAMATION)
+ dial.ShowModal()
+
+ def _load_data(self, event):
+ """
+ send an event to the parent to trigger load from plugin module
+ """
+ if self.parent is not None:
+ wx.PostEvent(self.parent, NewLoadDataEvent())
+
+ def on_remove(self, event, prompt=True):
+ """
+ Get a list of item checked and remove them from the treectrl
+ Ask the parent to remove reference to this item
+ """
+ if prompt:
+ msg = "This operation will delete the data sets checked "
+ msg += "and all the dependents."
+ msg_box = wx.MessageDialog(None, msg, 'Warning', wx.OK|wx.CANCEL)
+ if msg_box.ShowModal() != wx.ID_OK:
+ return
+
+ data_to_remove, theory_to_remove, _ = self.set_data_helper()
+ data_key = []
+ theory_key = []
+ # remove data from treectrl
+ for d_key, item in self.list_cb_data.iteritems():
+ data_c, _, _, _, _, _, _, _ = item
+ if data_c.IsChecked():
+ self.tree_ctrl.Delete(data_c)
+ data_key.append(d_key)
+ if d_key in self.list_cb_theory.keys():
+ theory_list_ctrl = self.list_cb_theory[d_key]
+ theory_to_remove += theory_list_ctrl.keys()
+ # Remove theory from treectrl
+ for _, theory_dict in self.list_cb_theory.iteritems():
+ for key, value in theory_dict.iteritems():
+ item, _, _ = value
+ if item.IsChecked():
+ try:
+ self.tree_ctrl.Delete(item)
+ except:
+ pass
+ theory_key.append(key)
+
+ # Remove data and related theory references
+ for key in data_key:
+ del self.list_cb_data[key]
+ if key in theory_key:
+ del self.list_cb_theory[key]
+ # remove theory references independently of data
+ for key in theory_key:
+ for _, theory_dict in self.list_cb_theory.iteritems():
+ if key in theory_dict:
+ for key, value in theory_dict.iteritems():
+ item, _, _ = value
+ if item.IsChecked():
+ try:
+ self.tree_ctrl_theory.Delete(item)
+ except:
+ pass
+ del theory_dict[key]
+
+ self.parent.remove_data(data_id=data_to_remove,
+ theory_id=theory_to_remove)
+ self.enable_remove()
+ self.enable_freeze()
+ self.enable_remove_plot()
+
+ def on_import(self, event=None):
+ """
+ Get all select data and set them to the current active perspetive
+ """
+ if event is not None:
+ event.Skip()
+ data_id, theory_id, state_id = self.set_data_helper()
+ temp = data_id + state_id
+ self.parent.set_data(data_id=temp, theory_id=theory_id)
+
+ def on_append_plot(self, event=None):
+ """
+ append plot to plot panel on focus
+ """
+ self._on_plot_selection()
+ data_id, theory_id, state_id = self.set_data_helper()
+ self.parent.plot_data(data_id=data_id,
+ state_id=state_id,
+ theory_id=theory_id,
+ append=True)
+
+ def on_plot(self, event=None):
+ """
+ Send a list of data names to plot
+ """
+ data_id, theory_id, state_id = self.set_data_helper()
+ self.parent.plot_data(data_id=data_id,
+ state_id=state_id,
+ theory_id=theory_id,
+ append=False)
+ self.enable_remove_plot()
+
+ def on_close_page(self, event=None):
+ """
+ On close
+ """
+ if event is not None:
+ event.Skip()
+ # send parent to update menu with no show nor hide action
+ self.parent.show_data_panel(action=False)
+
+ def on_freeze(self, event):
+ """
+ On freeze to make a theory to a data set
+ """
+ _, theory_id, state_id = self.set_data_helper()
+ if len(theory_id) > 0:
+ self.parent.freeze(data_id=state_id, theory_id=theory_id)
+ msg = "Freeze Theory:"
+ msg += " The theory(s) copied to the Data box as a data set."
+ else:
+ msg = "Freeze Theory: Requires at least one theory checked."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ def set_active_perspective(self, name):
+ """
+ set the active perspective
+ """
+ self.perspective_cbox.SetStringSelection(name)
+ self.enable_import()
+
+ def _on_delete_plot_panel(self, event):
+ """
+ get an event with attribute name and caption to delete existing name
+ from the combobox of the current panel
+ """
+ # name = event.name
+ caption = event.caption
+ if self.cb_plotpanel is not None:
+ pos = self.cb_plotpanel.FindString(str(caption))
+ if pos != wx.NOT_FOUND:
+ self.cb_plotpanel.Delete(pos)
+ self.enable_append()
+
+ def set_panel_on_focus(self, name=None):
+ """
+ set the plot panel on focus
+ """
+ if self.cb_plotpanel and self.cb_plotpanel.IsBeingDeleted():
+ return
+ for _, value in self.parent.plot_panels.iteritems():
+ name_plot_panel = str(value.window_caption)
+ if name_plot_panel not in self.cb_plotpanel.GetItems():
+ self.cb_plotpanel.Append(name_plot_panel, value)
+ if name is not None and name == name_plot_panel:
+ self.cb_plotpanel.SetStringSelection(name_plot_panel)
+ break
+ self.enable_append()
+ self.enable_remove_plot()
+
+ def set_plot_unfocus(self):
+ """
+ Unfocus plot
+ """
+ return
+
+ def _on_perspective_selection(self, event=None):
+ """
+ select the current perspective for guiframe
+ """
+ selection = self.perspective_cbox.GetSelection()
+ if self.perspective_cbox.GetValue() != 'None':
+ perspective = self.perspective_cbox.GetClientData(selection)
+ perspective.on_perspective(event=None)
+ self.parent.check_multimode(perspective=perspective)
+
+ def _on_plot_selection(self, event=None):
+ """
+ On source combobox selection
+ """
+ if event is not None:
+ combo = event.GetEventObject()
+ event.Skip()
+ else:
+ combo = self.cb_plotpanel
+ selection = combo.GetSelection()
+
+ if combo.GetValue() != 'None':
+ panel = combo.GetClientData(selection)
+ self.parent.on_set_plot_focus(panel)
+
+ def on_close_plot(self, event):
+ """
+ clseo the panel on focus
+ """
+ self.enable_append()
+ selection = self.cb_plotpanel.GetSelection()
+ if self.cb_plotpanel.GetValue() != 'None':
+ panel = self.cb_plotpanel.GetClientData(selection)
+ if self.parent is not None and panel is not None:
+ wx.PostEvent(self.parent,
+ NewPlotEvent(group_id=panel.group_id,
+ action="delete"))
+ self.enable_remove_plot()
+
+ def set_frame(self, frame):
+ """
+ """
+ self.frame = frame
+
+ def get_frame(self):
+ """
+ """
+ return self.frame
+
+ def on_help(self, event):
+ """
+ Bring up the data manager Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param event: Triggers on clicking the help button
+ """
+
+ #import documentation window here to avoid circular imports
+ #if put at top of file with rest of imports.
+ from documentation_window import DocumentationWindow
+
+ _TreeLocation = "user/sasgui/guiframe/data_explorer_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Data Explorer Help")
+
+ def on_close(self, event):
+ """
+ On close event
+ """
+ self.parent.show_data_panel(event)
+
+ def set_schedule_full_draw(self, panel=None, func='del'):
+ """
+ Send full draw to guimanager
+ """
+ self.parent.set_schedule_full_draw(panel, func)
+
+ def enable_remove_plot(self):
+ """
+ enable remove plot button if there is a plot panel on focus
+ """
+ pass
+ #if self.cb_plotpanel.GetCount() == 0:
+ # self.bt_close_plot.Disable()
+ #else:
+ # self.bt_close_plot.Enable()
+
+ def enable_remove(self):
+ """
+ enable or disable remove button
+ """
+ n_t = self.tree_ctrl.GetCount()
+ n_t_t = self.tree_ctrl_theory.GetCount()
+ if n_t + n_t_t <= 0:
+ self.bt_remove.Disable()
+ else:
+ self.bt_remove.Enable()
+
+ def enable_import(self):
+ """
+ enable or disable send button
+ """
+ n_t = 0
+ if self.tree_ctrl is not None:
+ n_t = self.tree_ctrl.GetCount()
+ if n_t > 0 and len(self.list_of_perspective) > 0:
+ self.bt_import.Enable()
+ else:
+ self.bt_import.Disable()
+ if len(self.list_of_perspective) <= 0 or \
+ self.perspective_cbox.GetValue() in ["None",
+ "No Active Application"]:
+ self.perspective_cbox.Disable()
+ else:
+ self.perspective_cbox.Enable()
+
+ def enable_plot(self):
+ """
+ enable or disable plot button
+ """
+ n_t = 0
+ n_t_t = 0
+ if self.tree_ctrl is not None:
+ n_t = self.tree_ctrl.GetCount()
+ if self.tree_ctrl_theory is not None:
+ n_t_t = self.tree_ctrl_theory.GetCount()
+ if n_t + n_t_t <= 0:
+ self.bt_plot.Disable()
+ else:
+ self.bt_plot.Enable()
+ self.enable_append()
+
+ def enable_append(self):
+ """
+ enable or disable append button
+ """
+ n_t = 0
+ n_t_t = 0
+ if self.tree_ctrl is not None:
+ n_t = self.tree_ctrl.GetCount()
+ if self.tree_ctrl_theory is not None:
+ n_t_t = self.tree_ctrl_theory.GetCount()
+ if n_t + n_t_t <= 0:
+ self.bt_append_plot.Disable()
+ self.cb_plotpanel.Disable()
+ elif self.cb_plotpanel.GetCount() <= 0:
+ self.cb_plotpanel.Disable()
+ self.bt_append_plot.Disable()
+ else:
+ self.bt_append_plot.Enable()
+ self.cb_plotpanel.Enable()
+
+ def check_theory_to_freeze(self):
+ """
+ Check_theory_to_freeze
+ """
+ def enable_freeze(self):
+ """
+ enable or disable the freeze button
+ """
+ n_t_t = 0
+ n_l = 0
+ if self.tree_ctrl_theory is not None:
+ n_t_t = self.tree_ctrl_theory.GetCount()
+ n_l = len(self.list_cb_theory)
+ if (n_t_t + n_l > 0):
+ self.bt_freeze.Enable()
+ else:
+ self.bt_freeze.Disable()
+
+ def enable_selection(self):
+ """
+ enable or disable combobo box selection
+ """
+ n_t = 0
+ n_t_t = 0
+ if self.tree_ctrl is not None:
+ n_t = self.tree_ctrl.GetCount()
+ if self.tree_ctrl_theory is not None:
+ n_t_t = self.tree_ctrl_theory.GetCount()
+ if n_t + n_t_t > 0 and self.selection_cbox is not None:
+ self.selection_cbox.Enable()
+ else:
+ self.selection_cbox.Disable()
+
+ def show_data_button(self):
+ """
+ show load data and remove data button if
+ dataloader on else hide them
+ """
+ try:
+ gui_style = self.parent.get_style()
+ style = gui_style & GUIFRAME.DATALOADER_ON
+ if style == GUIFRAME.DATALOADER_ON:
+ #self.bt_remove.Show(True)
+ self.bt_add.Show(True)
+ else:
+ #self.bt_remove.Hide()
+ self.bt_add.Hide()
+ except:
+ #self.bt_remove.Hide()
+ self.bt_add.Hide()
+
+
+WIDTH = 400
+HEIGHT = 300
+
+
+class DataDialog(wx.Dialog):
+ """
+ Allow file selection at loading time
+ """
+ def __init__(self, data_list, parent=None, text='', *args, **kwds):
+ wx.Dialog.__init__(self, parent, *args, **kwds)
+ self.SetTitle("Data Selection")
+ self.SetSize((WIDTH, HEIGHT))
+ self.list_of_ctrl = []
+ if not data_list:
+ return
+ self._sizer_main = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_txt = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer = wx.GridBagSizer(5, 5)
+ self._panel = ScrolledPanel(self, style=wx.RAISED_BORDER,
+ size=(WIDTH-20, HEIGHT-50))
+ self._panel.SetupScrolling()
+ self.__do_layout(data_list, text=text)
+
+ def __do_layout(self, data_list, text=''):
+ """
+ layout the dialog
+ """
+ if not data_list or len(data_list) <= 1:
+ return
+ # add text
+
+ text = "Deleting these file reset some panels.\n"
+ text += "Do you want to proceed?\n"
+ text_ctrl = wx.StaticText(self, -1, str(text))
+ self._sizer_txt.Add(text_ctrl)
+ iy = 0
+ ix = 0
+ # data_count = 0
+ for (data_name, in_use, sub_menu) in range(len(data_list)):
+ if in_use:
+ ctrl_name = wx.StaticBox(self, -1, str(data_name))
+ ctrl_in_use = wx.StaticBox(self, -1, " is used by ")
+ plug_name = str(sub_menu) + "\n"
+ # ctrl_sub_menu = wx.StaticBox(self, -1, plug_name)
+ self.sizer.Add(ctrl_name, (iy, ix),
+ (1, 1), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self._sizer_button.Add(ctrl_in_use, 1,
+ wx.EXPAND|wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self._sizer_button.Add(plug_name, 1,
+ wx.EXPAND|wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ self._panel.SetSizer(self.sizer)
+ # add sizer
+ self._sizer_button.Add((20, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0)
+ button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+ self._sizer_button.Add(button_cancel, 0,
+ wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10)
+ button_OK = wx.Button(self, wx.ID_OK, "Ok")
+ button_OK.SetFocus()
+ self._sizer_button.Add(button_OK, 0,
+ wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10)
+ static_line = wx.StaticLine(self, -1)
+
+ self._sizer_txt.Add(self._panel, 1, wx.EXPAND|wx.LEFT|wx.RIGHT, 5)
+ self._sizer_main.Add(self._sizer_txt, 1, wx.EXPAND|wx.ALL, 10)
+ #self._sizer_main.Add(self._data_text_ctrl, 0,
+ # wx.EXPAND|wx.LEFT|wx.RIGHT, 10)
+ self._sizer_main.Add(static_line, 0, wx.EXPAND, 0)
+ self._sizer_main.Add(self._sizer_button, 0, wx.EXPAND|wx.ALL, 10)
+ self.SetSizer(self._sizer_main)
+ self.Layout()
+
+ def get_data(self):
+ """
+ return the selected data
+ """
+ temp = []
+ for item in self.list_of_ctrl:
+ cb, data = item
+ if cb.GetValue():
+ temp.append(data)
+ return temp
+
+class DataFrame(wx.Frame):
+ """
+ Data Frame
+ """
+ ## Internal name for the AUI manager
+ window_name = "Data Panel"
+ ## Title to appear on top of the window
+ window_caption = "Data Panel"
+ ## Flag to tell the GUI manager that this panel is not
+ # tied to any perspective
+ ALWAYS_ON = True
+
+ def __init__(self, parent=None, owner=None, manager=None, size=(300, 800),
+ list_of_perspective=[], list=[], *args, **kwds):
+ kwds['size'] = size
+ kwds['id'] = -1
+ kwds['title'] = "Loaded Data"
+ wx.Frame.__init__(self, parent=parent, *args, **kwds)
+ self.parent = parent
+ self.owner = owner
+ self._manager = manager
+ self.panel = DataPanel(parent=self,
+ manager=manager,
+ list_of_perspective=list_of_perspective)
+
+ def load_data_list(self, list=[]):
+ """
+ Fill the list inside its panel
+ """
+ self.panel.load_data_list(list=list)
+
+
+from sas.sasgui.guiframe.dataFitting import Theory1D
+from sas.sasgui.guiframe.data_state import DataState
+
+
+class State():
+ """
+ DataPanel State
+ """
+ def __init__(self):
+ self.msg = ""
+ def __str__(self):
+ self.msg = "model mane : model1\n"
+ self.msg += "params : \n"
+ self.msg += "name value\n"
+ return self.msg
+
+
+def set_data_state(data=None, path=None, theory=None, state=None):
+ """
+ Set data state
+ """
+ dstate = DataState(data=data)
+ dstate.set_path(path=path)
+ dstate.set_theory(theory, state)
+
+ return dstate
+
+if __name__ == "__main__":
+
+ app = wx.App()
+ try:
+ # list_of_perspective = [('perspective2', False), ('perspective1', True)]
+ data_list1 = {}
+ # state 1
+ data1 = Data2D()
+ data1.name = "data2"
+ data1.id = 1
+ data1.append_empty_process()
+ process1 = data1.process[len(data1.process)-1]
+ process1.data = "07/01/2010"
+ theory1 = Data2D()
+ theory1.id = 34
+ theory1.name = "theory1"
+ path1 = "path1"
+ state1 = State()
+ data_list1['1'] = set_data_state(data1, path1, theory1, state1)
+ # state 2
+ data1 = Data2D()
+ data1.name = "data2"
+ data1.id = 76
+ theory1 = Data2D()
+ theory1.id = 78
+ theory1.name = "CoreShell 07/24/25"
+ path1 = "path2"
+ # state3
+ state1 = State()
+ data_list1['2'] = set_data_state(data1, path1, theory1, state1)
+ data1 = Data1D()
+ data1.id = 3
+ data1.name = "data2"
+ theory1 = Theory1D()
+ theory1.name = "CoreShell"
+ theory1.id = 4
+ theory1.append_empty_process()
+ process1 = theory1.process[len(theory1.process)-1]
+ process1.description = "this is my description"
+ path1 = "path3"
+ data1.append_empty_process()
+ process1 = data1.process[len(data1.process)-1]
+ process1.data = "07/22/2010"
+ data_list1['4'] = set_data_state(data1, path1, theory1, state1)
+ # state 4
+ temp_data_list = {}
+ data1.name = "data5 erasing data2"
+ temp_data_list['4'] = set_data_state(data1, path1, theory1, state1)
+ # state 5
+ data1 = Data2D()
+ data1.name = "data3"
+ data1.id = 5
+ data1.append_empty_process()
+ process1 = data1.process[len(data1.process)-1]
+ process1.data = "07/01/2010"
+ theory1 = Theory1D()
+ theory1.name = "Cylinder"
+ path1 = "path2"
+ state1 = State()
+ dstate1 = set_data_state(data1, path1, theory1, state1)
+ theory1 = Theory1D()
+ theory1.id = 6
+ theory1.name = "CoreShell"
+ dstate1.set_theory(theory1)
+ theory1 = Theory1D()
+ theory1.id = 6
+ theory1.name = "CoreShell replacing coreshell in data3"
+ dstate1.set_theory(theory1)
+ data_list1['3'] = dstate1
+ #state 6
+ data_list1['6'] = set_data_state(None, path1, theory1, state1)
+ data_list1['6'] = set_data_state(theory=theory1, state=None)
+ theory1 = Theory1D()
+ theory1.id = 7
+ data_list1['6'] = set_data_state(theory=theory1, state=None)
+ data_list1['7'] = set_data_state(theory=theory1, state=None)
+ window = DataFrame(list=data_list1)
+ window.load_data_list(list=data_list1)
+ window.Show(True)
+ window.load_data_list(list=temp_data_list)
+ except:
+ # raise
+ print "error", sys.exc_value
+
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/data_processor.py b/src/sas/sasgui/guiframe/data_processor.py
new file mode 100644
index 0000000..a6f540a
--- /dev/null
+++ b/src/sas/sasgui/guiframe/data_processor.py
@@ -0,0 +1,2037 @@
+"""
+Implement grid used to store results of a batch fit.
+
+This is in Guiframe rather than fitting which is probably where it should be.
+Actually could be a generic framework implemented in fit gui module. At this
+point however there this grid behaves independently of the fitting panel and
+only knows about information sent to it but not about the fits or fit panel and
+thus cannot feed back to the fitting panel. This could change in the future.
+
+The organization of the classes goes as:
+
+.. note:: Path to this is: /sasview/src/sas/sasgui/guiframe/data_processor.py
+
+.. note:: Path to image is: /sasview/src/sas/sasgui/guiframe/media/BatchGridClassLayout.png
+
+.. image:: ../../user/sasgui/guiframe/BatchGridClassLayout.png
+ :align: center
+
+"""
+import wx
+import numpy
+import math
+import re
+import os
+import sys
+import copy
+from wx.lib.scrolledpanel import ScrolledPanel
+import wx.aui
+from wx.aui import AuiNotebook as nb
+import wx.lib.sheet as sheet
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.plottools import plottables
+from sas.sasgui.guiframe.dataFitting import Data1D
+
+
+FUNC_DICT = {"sqrt": "math.sqrt",
+ "pow": "math.sqrt"}
+
+class BatchCell(object):
+ """
+ Object describing a cell in the grid.
+ """
+ def __init__(self):
+ """
+ Initialize attributes of class (label, value, col, row, object)
+ """
+ self.label = ""
+ self.value = None
+ self.col = -1
+ self.row = -1
+ self.object = []
+
+
+def parse_string(sentence, list):
+ """
+ Return a dictionary of column label and index or row selected
+
+ :param sentence: String to parse
+ :param list: list of columns label
+ :returns: col_dict
+ """
+
+ p2 = re.compile(r'\d+')
+ p = re.compile(r'[\+\-\*\%\/]')
+ labels = p.split(sentence)
+ col_dict = {}
+ for elt in labels:
+ rang = None
+ temp_arr = []
+ for label in list:
+ label_pos = elt.find(label)
+ separator_pos = label_pos + len(label)
+ if label_pos != -1 and len(elt) >= separator_pos and\
+ elt[separator_pos] == "[":
+ # the label contain , meaning the range selected is not
+ # continuous
+ if elt.count(',') > 0:
+ new_temp = []
+ temp = elt.split(label)
+ for item in temp:
+ range_pos = item.find(":")
+ if range_pos != -1:
+ rang = p2.findall(item)
+ for i in xrange(int(rang[0]), int(rang[1]) + 1):
+ new_temp.append(i)
+ temp_arr += new_temp
+ else:
+ # continuous range
+ temp = elt.split(label)
+ for item in temp:
+ if item.strip() != "":
+ range_pos = item.find(":")
+ if range_pos != -1:
+ rang = p2.findall(item)
+ for i in xrange(int(rang[0]), int(rang[1]) + 1):
+ temp_arr.append(i)
+ col_dict[elt] = (label, temp_arr)
+ return col_dict
+
+
+class SPanel(ScrolledPanel):
+ """
+ ensure proper scrolling of GridPanel
+
+ Adds a SetupScrolling call to the normal ScrolledPanel init.
+ GridPanel then subclasses this class
+
+ """
+ def __init__(self, parent, *args, **kwds):
+ """
+ initialize ScrolledPanel then force a call to SetupScrolling
+
+ """
+ ScrolledPanel.__init__(self, parent, *args, **kwds)
+ self.SetupScrolling()
+
+
+class GridCellEditor(sheet.CCellEditor):
+ """
+ Custom cell editor
+
+ This subclasses the sheet.CCellEditor (itself a subclass of
+ grid.GridCellEditor) in order to override two of its methods:
+ PaintBackrgound and EndEdit.
+
+ This is necessary as the sheet module is broken in wx 3.0.2 and
+ improperly subclasses grid.GridCellEditor
+ """
+ def __init__(self, grid):
+ """
+ Override of CCellEditor init. Runs the grid.GridCellEditor init code
+ """
+ super(GridCellEditor, self).__init__(grid)
+
+ def PaintBackground(self, dc, rect, attr):
+ """
+ Overrides wx.sheet.CCellEditor.PaintBackground which incorrectly calls
+ the base class method.
+
+ In wx3.0 all paint objects must explicitly
+ have a wxPaintDC (Device Context) object. Thus the paint event which
+ generates a call to this method provides such a DC object and the
+ base class in grid expects to receive that object. sheet was apparently
+ not updated to reflect this and hence fails. This could thus
+ become obsolete in a future bug fix of wxPython.
+
+ Apart from adding a dc variable in the list of arguments in the def
+ and in the call to the base class the rest of this method is copied
+ as is from sheet.CCellEditor.PaintBackground
+
+ **From original GridCellEditor docs:**
+
+ Draws the part of the cell not occupied by the edit control. The
+ base class version just fills it with background colour from the
+ attribute.
+
+ .. note:: There is no need to override this if you don't need
+ to do something out of the ordinary.
+
+ :param dc: the wxDC object for the paint
+ """
+ # Call base class method.
+ DC = dc
+ super(sheet.CCellEditor,self).PaintBackground(DC, rect, attr)
+
+ def EndEdit(self, row, col, grid, previous):
+ """
+ Commit editing the current cell. Returns True if the value has changed.
+
+ :param previous: previous value in the cell
+ """
+ changed = False # Assume value not changed
+ val = self._tc.GetValue() # Get value in edit control
+ if val != self._startValue: # Compare
+ changed = True # If different then changed is True
+ grid.GetTable().SetValue(row, col, val) # Update the table
+ self._startValue = '' # Clear the class' start value
+ self._tc.SetValue('') # Clear contents of the edit control
+ return changed
+
+
+class GridPage(sheet.CSheet):
+ """
+ Class that receives the results of a batch fit.
+
+ GridPage displays the received results in a wx.grid using sheet. This is
+ then used by GridPanel and GridFrame to present the full GUI.
+ """
+ def __init__(self, parent, panel=None):
+ """
+ Initialize
+
+ Initialize all the attributes of GridPage, and the events. include
+ the init stuff from sheet.CSheet as well.
+ """
+ #sheet.CSheet.__init__(self, parent)
+
+ # The following is the __init__ from CSheet. ##########################
+ # We re-write it here because the class is broken in wx 3.0,
+ # such that the cell editor is not able to receive the right
+ # number of parameters when it is called. The only way to
+ # pick a different cell editor is apparently to re-write the __init__.
+ wx.grid.Grid.__init__(self, parent, -1)
+
+ # Init variables
+ self._lastCol = -1 # Init last cell column clicked
+ self._lastRow = -1 # Init last cell row clicked
+ self._selected = None # Init range currently selected
+ # Map string datatype to default renderer/editor
+ self.RegisterDataType(wx.grid.GRID_VALUE_STRING,
+ wx.grid.GridCellStringRenderer(),
+ GridCellEditor(self))
+
+ self.CreateGrid(4, 3) # By default start with a 4 x 3 grid
+ self.SetColLabelSize(18) # Default sizes and alignment
+ self.SetRowLabelSize(50)
+ self.SetRowLabelAlignment(wx.ALIGN_RIGHT, wx.ALIGN_BOTTOM)
+ self.SetColSize(0, 75) # Default column sizes
+ self.SetColSize(1, 75)
+ self.SetColSize(2, 75)
+
+ # Sink events
+ self.Bind(wx.grid.EVT_GRID_RANGE_SELECT, self.OnRangeSelect)
+ self.Bind(wx.grid.EVT_GRID_ROW_SIZE, self.OnRowSize)
+ self.Bind(wx.grid.EVT_GRID_COL_SIZE, self.OnColSize)
+ self.Bind(wx.grid.EVT_GRID_SELECT_CELL, self.OnGridSelectCell)
+ # NOTE: the following bind to standard sheet methods that are
+ # overriden in this subclassn - actually we have currently
+ # disabled the on_context_menu that would override the OnRightClick
+ self.Bind(wx.grid.EVT_GRID_CELL_CHANGE, self.OnCellChange)
+ self.Bind(wx.grid.EVT_GRID_CELL_LEFT_CLICK, self.OnLeftClick)
+ self.Bind(wx.grid.EVT_GRID_CELL_RIGHT_CLICK, self.OnRightClick)
+ #self.Bind(wx.grid.EVT_GRID_CELL_LEFT_DCLICK, self.OnLeftDoubleClick)
+ # This ends the __init__ section for CSheet. ##########################
+
+
+
+ # The following events must be bound even if CSheet is working
+ # properly and does not need the above re-implementation of the
+ # CSheet init method. Basically these override any intrinsic binding
+ self.Bind(wx.grid.EVT_GRID_LABEL_RIGHT_CLICK, self.on_right_click)
+ self.Bind(wx.grid.EVT_GRID_LABEL_LEFT_CLICK, self.on_left_click)
+
+ self.AdjustScrollbars()
+ #self.SetLabelBackgroundColour('#DBD4D4')
+ self.uid = wx.NewId()
+ self.parent = parent
+ self.panel = panel
+ self.col_names = []
+ self.data_inputs = {}
+ self.data_outputs = {}
+ self.data = None
+ self.details = ""
+ self.file_name = None
+ self._cols = 50
+ self._rows = 3001
+ self.last_selected_row = -1
+ self.last_selected_col = -1
+ self.col_width = 30
+ self.row_height = 20
+ self.max_row_touse = 0
+ self.axis_value = []
+ self.axis_label = ""
+ self.selected_cells = []
+ self.selected_cols = []
+ self.selected_rows = []
+ self.plottable_cells = []
+ self.plottable_flag = False
+ self.SetColMinimalAcceptableWidth(self.col_width)
+ self.SetRowMinimalAcceptableHeight(self.row_height)
+ self.SetNumberRows(self._rows)
+ self.SetNumberCols(self._cols)
+ color = self.parent.GetBackgroundColour()
+ for col in range(self._cols):
+ self.SetCellBackgroundColour(0, col, color)
+ self.AutoSize()
+ self.list_plot_panels = {}
+ self.default_col_width = 75
+ self.EnableEditing(True)
+ if self.GetNumberCols() > 0:
+ self.default_col_width = self.GetColSize(0)
+ # We have moved these to the top of the init section with the
+ # rest of the grid event bindings from the sheet init when
+ # appropriate
+ #self.Bind(wx.grid.EVT_GRID_LABEL_LEFT_CLICK, self.on_left_click)
+ #self.Bind(wx.grid.EVT_GRID_LABEL_RIGHT_CLICK, self.on_right_click)
+ #self.Bind(wx.grid.EVT_GRID_CELL_LEFT_CLICK, self.on_selected_cell)
+ #self.Bind(wx.grid.EVT_GRID_CMD_CELL_CHANGE, self.on_edit_cell)
+ #self.Bind(wx.grid.EVT_GRID_CELL_RIGHT_CLICK, self.onContextMenu)
+
+ def OnLeftClick(self, event):
+ """
+ Overrides sheet.CSheet.OnLefClick.
+
+ Processes when a cell is selected by left clicking on that cell. First
+ process the base Sheet method then the current class specific method
+ """
+ sheet.CSheet.OnLeftClick(self, event)
+ self.on_selected_cell(event)
+
+
+ def OnCellChange(self, event):
+ """
+ Overrides sheet.CSheet.OnCellChange.
+
+ Processes when a cell has been edited by a cell editor. Checks for the
+ edited row being outside the max row to use attribute and if so updates
+ the last row. Then calls the base handler using skip.
+ """
+ row, _ = event.GetRow(), event.GetCol()
+ if row > self.max_row_touse:
+ self.max_row_touse = row
+ if self.data == None:
+ self.data = {}
+ event.Skip()
+
+ def on_selected_cell(self, event):
+ """
+ Handler catching cell selection.
+
+ Called after calling base 'on left click' method.
+ """
+
+ flag = event.CmdDown() or event.ControlDown()
+ flag_shift = event.ShiftDown()
+ row, col = event.GetRow(), event.GetCol()
+ cell = (row, col)
+ if not flag and not flag_shift:
+ self.selected_cols = []
+ self.selected_rows = []
+ self.selected_cells = []
+ self.axis_label = ""
+ self.axis_value = []
+ self.plottable_list = []
+ self.plottable_cells = []
+ self.plottable_flag = False
+ self.last_selected_col = col
+ self.last_selected_row = row
+ if col >= 0:
+ if flag:
+ label_row = row
+ else:
+ label_row = 0
+ self.axis_label = self.GetCellValue(label_row, col)
+ self.selected_cols.append(col)
+ if flag_shift:
+ if not self.selected_rows:
+ min_r = 1
+ else:
+ min_r = min(self.selected_rows)
+ for row_s in range(min_r, row + 1):
+ cel = (row_s, col)
+ if cel not in self.selected_cells:
+ if row > 0:
+ self.selected_cells.append(cel)
+ self.selected_rows.append(row)
+ for row_s in self.selected_rows:
+ cel = (row_s, col)
+ if row_s > row:
+ try:
+ self.selected_cells.remove(cel)
+ except:
+ pass
+ try:
+ self.selected_rows.remove(row_s)
+ except:
+ pass
+ elif flag:
+ if cell not in self.selected_cells:
+ if row > 0:
+ self.selected_cells.append(cell)
+ self.selected_rows.append(row)
+ else:
+ try:
+ self.selected_cells.remove(cell)
+ except:
+ pass
+ try:
+ self.selected_rows.remove(row)
+ except:
+ pass
+ else:
+ self.selected_cells.append(cell)
+ self.selected_rows.append(row)
+ self.axis_value = []
+ for cell_row, cell_col in self.selected_cells:
+ if cell_row > 0 and cell_row < self.max_row_touse:
+ self.axis_value.append(self.GetCellValue(cell_row, cell_col))
+ event.Skip()
+
+ def on_left_click(self, event):
+ """
+ Is triggered when the left mouse button is clicked while the mouse
+ is hovering over the column 'label.'
+
+ This processes the information on the selected column: the column name
+ (in row 0 of column) and the range of cells with a valid value to be
+ used by the GridPanel set_axis methods.
+ """
+
+ flag = event.CmdDown() or event.ControlDown()
+
+ col = event.GetCol()
+ row = event.GetRow()
+
+ if not flag:
+ self.selected_cols = []
+ self.selected_rows = []
+ self.selected_cells = []
+ self.axis_label = ""
+ self.axis_value = []
+ self.plottable_list = []
+ self.plottable_cells = []
+ self.plottable_flag = False
+
+ self.last_selected_col = col
+ self.last_selected_row = row
+ if row != -1 and row not in self.selected_rows:
+ self.selected_rows.append(row)
+
+ if col != -1:
+ for row in range(1, self.GetNumberRows() + 1):
+ cell = (row, col)
+ if row > 0 and row < self.max_row_touse:
+ if cell not in self.selected_cells:
+ self.selected_cells.append(cell)
+ else:
+ if flag:
+ self.selected_cells.remove(cell)
+ self.selected_cols.append(col)
+ self.axis_value = []
+ for cell_row, cell_col in self.selected_cells:
+ val = self.GetCellValue(cell_row, cell_col)
+ if not val:
+ self.axis_value.append(self.GetCellValue(cell_row, cell_col))
+ self.axis_label = self.GetCellValue(0, col)
+ if not self.axis_label:
+ self.axis_label = " "
+ event.Skip()
+
+ def on_right_click(self, event):
+ """
+ Is triggered when the right mouse button is clicked while the mouse
+ is hovering over the column 'label.'
+
+ This brings up a context menu that allows the deletion of the column,
+ or the insertion of a new column either to the right or left of the
+ current column. If inserting a new column can insert a blank column or
+ choose a number of hidden columns. By default all the error parameters
+ are in hidden columns so as to save space on the grid. Also any other
+ intrinsic variables stored with the data such as Temperature, pressure,
+ time etc can be used to populate this menu.
+ """
+
+ col = event.GetCol()
+ row = event.GetRow()
+ # Ignore the index column
+ if col < 0 or row != -1:
+ return
+ self.selected_cols = []
+ self.selected_cols.append(col)
+ # Slicer plot popup menu
+ slicerpop = wx.Menu()
+ col_label_menu = wx.Menu()
+ c_name = self.GetCellValue(0, col)
+ label = "Insert column before %s " % str(c_name)
+ slicerpop.AppendSubMenu(col_label_menu, '&%s' % str(label), str(label))
+ row = 0
+ label = self.GetCellValue(row, col)
+ self.insert_col_menu(col_label_menu, label, self)
+
+ col_after_menu = wx.Menu()
+ label = "Insert column after %s " % str(c_name)
+ slicerpop.AppendSubMenu(col_after_menu, '&%s' % str(label), str(label))
+ self.insert_after_col_menu(col_after_menu, label, self)
+
+ wx_id = wx.NewId()
+ hint = 'Remove selected column %s'
+ slicerpop.Append(wx_id, '&Remove Column', hint)
+ wx.EVT_MENU(self, wx_id, self.on_remove_column)
+
+ pos = wx.GetMousePosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+ event.Skip()
+
+ def insert_col_menu(self, menu, label, window):
+ """
+ method called to populate the 'insert column before current column'
+ submenu.
+ """
+
+ if self.data is None:
+ return
+ id = wx.NewId()
+ title = "Empty"
+ hint = 'Insert empty column before %s' % str(label)
+ menu.Append(id, title, hint)
+ wx.EVT_MENU(window, id, self.on_insert_column)
+ row = 0
+ col_name = [self.GetCellValue(row, col) for col in range(self.GetNumberCols())]
+ for c_name in self.data.keys():
+ if c_name not in col_name and self.data[c_name]:
+ wx_id = wx.NewId()
+ hint = "Insert %s column before the " % str(c_name)
+ hint += " %s column" % str(label)
+ menu.Append(wx_id, '&%s' % str(c_name), hint)
+ wx.EVT_MENU(window, wx_id, self.on_insert_column)
+
+ def insert_after_col_menu(self, menu, label, window):
+ """
+ Method called to populate the 'insert column after current column'
+ submenu
+ """
+
+ if self.data is None:
+ return
+ wx_id = wx.NewId()
+ title = "Empty"
+ hint = 'Insert empty column after %s' % str(label)
+ menu.Append(wx_id, title, hint)
+ wx.EVT_MENU(window, wx_id, self.on_insert_after_column)
+ row = 0
+ col_name = [self.GetCellValue(row, col)
+ for col in range(self.GetNumberCols())]
+ for c_name in self.data.keys():
+ if c_name not in col_name and self.data[c_name]:
+ wx_id = wx.NewId()
+ hint = "Insert %s column after the " % str(c_name)
+ hint += " %s column" % str(label)
+ menu.Append(wx_id, '&%s' % str(c_name), hint)
+ wx.EVT_MENU(window, wx_id, self.on_insert_after_column)
+
+ def on_remove_column(self, event=None):
+ """
+ Called when user chooses remove from the column right click menu
+ Checks the columnn exists then calls the remove_column method
+ """
+
+ if self.selected_cols is not None or len(self.selected_cols) > 0:
+ col = self.selected_cols[0]
+ self.remove_column(col=col, numCols=1)
+
+ def remove_column(self, col, numCols=1):
+ """
+ Remove the col column from the current grid
+ """
+
+ # add data to the grid
+ row = 0
+ col_name = self.GetCellValue(row, col)
+ self.data[col_name] = []
+ for row in range(1, self.GetNumberRows() + 1):
+ if row < self.max_row_touse:
+ value = self.GetCellValue(row, col)
+ self.data[col_name].append(value)
+ for k, value_list in self.data.iteritems():
+ if k != col_name:
+ length = len(value_list)
+ if length < self.max_row_touse:
+ diff = self.max_row_touse - length
+ for i in range(diff):
+ self.data[k].append("")
+ self.DeleteCols(pos=col, numCols=numCols, updateLabels=True)
+
+ def on_insert_column(self, event):
+ """
+ Called when user chooses insert 'column before' submenu
+ of the column context menu obtained when right clicking on a given
+ column header.
+
+ Sets up to insert column into the current grid before the current
+ highlighted column location and sets up what to populate that column
+ with. Then calls insert_column method to actually do the insertion.
+ """
+
+ if self.selected_cols is not None or len(self.selected_cols) > 0:
+ col = self.selected_cols[0]
+ # add data to the grid
+ wx_id = event.GetId()
+ col_name = event.GetEventObject().GetLabelText(wx_id)
+ self.insert_column(col=col, col_name=col_name)
+ if not issubclass(event.GetEventObject().__class__, wx.Menu):
+ col += 1
+ self.selected_cols[0] += 1
+
+ def on_insert_after_column(self, event):
+ """
+ Called when user chooses insert 'column after' submenu
+ of the column context menu obtained when right clicking on a given
+ column header.
+
+ Sets up to insert column into the current grid after the current
+ highlighted column location and sets up what to populate that column
+ with. Then calls insert_column method to actually do the insertion.
+ """
+
+ if self.selected_cols is not None or len(self.selected_cols) > 0:
+ col = self.selected_cols[0] + 1
+ # add data to the grid
+ wx_id = event.GetId()
+ col_name = event.GetEventObject().GetLabelText(wx_id)
+ self.insert_column(col=col, col_name=col_name)
+ if not issubclass(event.GetEventObject().__class__, wx.Menu):
+ self.selected_cols[0] += 1
+
+ def insert_column(self, col, col_name):
+ """
+ Insert column at position col with data[col_name] into the current
+ grid.
+ """
+
+ row = 0
+ self.InsertCols(pos=col, numCols=1, updateLabels=True)
+ if col_name.strip() != "Empty":
+ self.SetCellValue(row, col, str(col_name.strip()))
+ if col_name in self.data.keys():
+ value_list = self.data[col_name]
+ cell_row = 1
+ for value in value_list:
+ label = value#format_number(value, high=True)
+ self.SetCellValue(cell_row, col, str(label))
+ cell_row += 1
+ self.AutoSizeColumn(col, True)
+ width = self.GetColSize(col)
+ if width < self.default_col_width:
+ self.SetColSize(col, self.default_col_width)
+ color = self.parent.GetBackgroundColour()
+ self.SetCellBackgroundColour(0, col, color)
+ self.ForceRefresh()
+
+ def on_set_x_axis(self, event):
+ """
+ Just calls the panel version of the method
+ """
+
+ self.panel.set_xaxis(x=self.axis_value, label=self.axis_label)
+
+ def on_set_y_axis(self, event):
+ """
+ Just calls the panel version of the method
+ """
+
+ self.panel.set_yaxis(y=self.axis_value, label=self.axis_label)
+
+ def set_data(self, data_inputs, data_outputs, details, file_name):
+ """
+ Add data to the grid
+
+ :param data_inputs: data to use from the context menu of the grid
+ :param data_ouputs: default columns displayed
+ """
+
+ self.file_name = file_name
+ self.details = details
+
+ if data_outputs is None:
+ data_outputs = {}
+ self.data_outputs = data_outputs
+ if data_inputs is None:
+ data_inputs = {}
+ self.data_inputs = data_inputs
+ self.data = {}
+ for item in (self.data_outputs, self.data_inputs):
+ self.data.update(item)
+
+ if len(self.data_outputs) > 0:
+ self._cols = self.GetNumberCols()
+ self._rows = self.GetNumberRows()
+ self.col_names = self.data_outputs.keys()
+ self.col_names.sort()
+ nbr_user_cols = len(self.col_names)
+ #Add more columns to the grid if necessary
+ if nbr_user_cols > self._cols:
+ new_col_nbr = nbr_user_cols - self._cols + 1
+ self.AppendCols(new_col_nbr, True)
+ #Add more rows to the grid if necessary
+ nbr_user_row = len(self.data_outputs.values()[0])
+ if nbr_user_row > self._rows + 1:
+ new_row_nbr = nbr_user_row - self._rows + 1
+ self.AppendRows(new_row_nbr, True)
+ # add data to the grid
+ wx.CallAfter(self.set_grid_values)
+ self.ForceRefresh()
+
+ def set_grid_values(self):
+ """
+ Set the values in grids
+ """
+
+ # add data to the grid
+ row = 0
+ col = 0
+ cell_col = 0
+ for col_name in self.col_names:
+ # use the first row of the grid to add user defined labels
+ self.SetCellValue(row, col, str(col_name))
+ col += 1
+ cell_row = 1
+ value_list = self.data_outputs[col_name]
+
+ for value in value_list:
+ label = value
+ if issubclass(value.__class__, BatchCell):
+ label = value.label
+ try:
+ float(label)
+ label = str(label)#format_number(label, high=True)
+ except:
+ label = str(label)
+ self.SetCellValue(cell_row, cell_col, label)
+ self.AutoSizeColumn(cell_col, True)
+ width = self.GetColSize(cell_col)
+ if width < self.default_col_width:
+ self.SetColSize(cell_col, self.default_col_width)
+
+ cell_row += 1
+ cell_col += 1
+ if cell_row > self.max_row_touse:
+ self.max_row_touse = cell_row
+
+ def get_grid_view(self):
+ """
+ Return value contained in the grid
+ """
+
+ grid_view = {}
+ for col in xrange(self.GetNumberCols()):
+ label = self.GetCellValue(row=0, col=col)
+ label = label.strip()
+ if label != "":
+ grid_view[label] = []
+ for row in range(1, self.max_row_touse):
+ value = self.GetCellValue(row=row, col=col)
+ if value != "":
+ grid_view[label].append(value)
+ else:
+ grid_view[label].append(None)
+ return grid_view
+
+ def get_nofrows(self):
+ """
+ Return number of total rows
+ """
+ return self._rows
+
+ def onContextMenu(self, event):
+ """
+ Method to handle cell right click context menu.
+
+ THIS METHOD IS NOT CURRENTLY USED. It is designed to provide a
+ cell pop up context by right clicking on a cell and gives the
+ option to cut, paste, and clear. This will probably be removed in
+ future versions and is being superceded by more traditional cut and
+ paste options.
+ """
+
+ wx_id = wx.NewId()
+ c_menu = wx.Menu()
+ copy_menu = c_menu.Append(wx_id, '&Copy', 'Copy the selected cells')
+ wx.EVT_MENU(self, wx_id, self.on_copy)
+
+ wx_id = wx.NewId()
+ c_menu.Append(wx_id, '&Paste', 'Paste the selected cells')
+ wx.EVT_MENU(self, wx_id, self.on_paste)
+
+ wx_id = wx.NewId()
+ clear_menu = c_menu.Append(wx_id, '&Clear', 'Clear the selected cells')
+ wx.EVT_MENU(self, wx_id, self.on_clear)
+
+ # enable from flag
+ has_selection = False
+ selected_cel = self.selected_cells
+ if len(selected_cel) > 0:
+ _row, _col = selected_cel[0]
+ has_selection = self.IsInSelection(_row, _col)
+ if len(self.selected_cols) > 0:
+ has_selection = True
+ if len(self.selected_rows) > 0:
+ has_selection = True
+ copy_menu.Enable(has_selection)
+ clear_menu.Enable(has_selection)
+ try:
+ # mouse event pos
+ pos_evt = event.GetPosition()
+ self.PopupMenu(c_menu, pos_evt)
+ except:
+ return
+
+ def on_copy(self, event):
+ """
+ Called when copy is chosen from cell right click context menu
+
+ THIS METHOD IS NOT CURRENTLY USED. it is part of right click cell
+ context menu which is being removed. This will probably be removed in
+ future versions and is being superceded by more traditional cut and
+ paste options
+ """
+
+ self.Copy()
+
+ def on_paste(self, event):
+ """
+ Called when paste is chosen from cell right click context menu
+
+ THIS METHOD IS NOT CURRENTLY USED. it is part of right click cell
+ context menu which is being removed. This will probably be removed in
+ future versions and is being superceded by more traditional cut and
+ paste options
+ """
+
+ if self.data == None:
+ self.data = {}
+ if self.file_name == None:
+ self.file_name = 'copied_data'
+ self.Paste()
+
+ def on_clear(self, event):
+ """
+ Called when clear cell is chosen from cell right click context menu
+
+ THIS METHOD IS NOT CURRENTLY USED. it is part of right click cell
+ context menu which is being removed. This will probably be removed in
+ future versions and is being superceded by more traditional cut and
+ paste options
+ """
+
+ self.Clear()
+
+class Notebook(nb, PanelBase):
+ """
+ ## Internal name for the AUI manager
+ window_name = "Fit panel"
+ ## Title to appear on top of the window
+ """
+
+ window_caption = "Notebook "
+
+ def __init__(self, parent, manager=None, data=None, *args, **kwargs):
+ """
+ """
+ nb.__init__(self, parent, -1,
+ style=wx.aui.AUI_NB_WINDOWLIST_BUTTON |
+ wx.aui.AUI_BUTTON_DOWN |
+ wx.aui.AUI_NB_DEFAULT_STYLE |
+ wx.CLIP_CHILDREN)
+ PanelBase.__init__(self, parent)
+ self.gpage_num = 1
+ self.enable_close_button()
+ self.parent = parent
+ self.manager = manager
+ self.data = data
+ #add empty page
+ self.add_empty_page()
+ self.pageClosedEvent = wx.aui.EVT_AUINOTEBOOK_PAGE_CLOSE
+ self.Bind(self.pageClosedEvent, self.on_close_page)
+
+ def add_empty_page(self):
+ """
+ """
+ grid = GridPage(self, panel=self.parent)
+ self.AddPage(grid, "", True)
+ pos = self.GetPageIndex(grid)
+ title = "Table" + str(self.gpage_num)
+ self.SetPageText(pos, title)
+ self.SetSelection(pos)
+ self.enable_close_button()
+ self.gpage_num += 1
+ return grid, pos
+
+ def enable_close_button(self):
+ """
+ display the close button on the tab if more than 1 tab exits.
+ Otherwise remove the close button
+ """
+
+ if self.GetPageCount() <= 1:
+ style = self.GetWindowStyleFlag()
+ flag = wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ if style & wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB == flag:
+ style = style & ~wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ self.SetWindowStyle(style)
+ else:
+ style = self.GetWindowStyleFlag()
+ flag = wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ if style & wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB != flag:
+ style |= wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ self.SetWindowStyle(style)
+
+ def on_edit_axis(self):
+ """
+ Return the select cell range from a given selected column. Checks that
+ all cells are from the same column
+ """
+
+ pos = self.GetSelection()
+ grid = self.GetPage(pos)
+ #grid.selected_cols = [grid.GetSelectedRows()]#
+ if len(grid.selected_cols) >= 1:
+ col = grid.selected_cols[0]
+ for c in grid.selected_cols:
+ if c != col:
+ msg = "Edit axis doesn't understand this selection.\n"
+ msg += "Please select only one column"
+ raise ValueError, msg
+ for (_, cell_col) in grid.selected_cells:
+ if cell_col != col:
+ msg = "Cannot use cells from different columns for "
+ msg += "this operation.\n"
+ msg += "Please select elements of the same col.\n"
+ raise ValueError, msg
+
+ # Finally check the highlighted cell if any cells missing
+ self.get_highlighted_row(True)
+ else:
+ msg = "No item selected.\n"
+ msg += "Please select only one column or one cell"
+ raise ValueError, msg
+ return grid.selected_cells
+
+ def get_highlighted_row(self, is_number=True):
+ """
+ Add highlight rows
+ """
+
+ pos = self.GetSelection()
+ grid = self.GetPage(pos)
+ col = grid.selected_cols[0]
+ # Finally check the highlighted cell if any cells missing
+ for row in range(grid.get_nofrows()):
+ if grid.IsInSelection(row, col):
+ cel = (row, col)
+ if row < 1 and not is_number:
+ continue
+ # empty cell
+ if not grid.GetCellValue(row, col).lstrip().rstrip():
+ if cel in grid.selected_cells:
+ grid.selected_cells.remove(cel)
+ continue
+ if is_number:
+ try:
+ float(grid.GetCellValue(row, col))
+ except:
+ # non numeric cell
+ if cel in grid.selected_cells:
+ grid.selected_cells.remove(cel)
+ continue
+ if cel not in grid.selected_cells:
+ grid.selected_cells.append(cel)
+
+ def get_column_labels(self):
+ """
+ return dictionary of columns labels on the current page
+ """
+
+ pos = self.GetSelection()
+ grid = self.GetPage(pos)
+ labels = {}
+ for col in range(grid.GetNumberCols()):
+ label = grid.GetColLabelValue(int(col))
+ if label.strip() != "":
+ labels[label.strip()] = col
+ return labels
+
+ def create_axis_label(self, cell_list):
+ """
+ Receive a list of cells and create a string presenting the selected
+ cells that can be used as data for one axis of a plot.
+
+ :param cell_list: list of tuple
+ """
+ pos = self.GetSelection()
+ grid = self.GetPage(pos)
+ label = ""
+ col_name = ""
+ def create_label(col_name, row_min=None, row_max=None):
+ """
+ """
+ result = " "
+ if row_min is not None or row_max is not None:
+ if row_min is None:
+ result = str(row_max) + "]"
+ elif row_max is None:
+ result = str(col_name) + "[" + str(row_min) + ":"
+ else:
+ result = str(col_name) + "[" + str(row_min) + ":"
+ result += str(row_max) + "]"
+ return str(result)
+
+ if len(cell_list) > 0:
+ if len(cell_list) == 1:
+ row_min, col = cell_list[0]
+ col_name = grid.GetColLabelValue(int(col))
+
+ col_title = grid.GetCellValue(0, col)
+ label = create_label(col_name, row_min + 1, row_min + 1)
+ return label, col_title
+ else:
+ temp_list = copy.deepcopy(cell_list)
+ temp_list.sort()
+ length = len(temp_list)
+ row_min, col = temp_list[0]
+ row_max, _ = temp_list[length - 1]
+ col_name = grid.GetColLabelValue(int(col))
+ col_title = grid.GetCellValue(0, col)
+
+ index = 0
+ for row in xrange(row_min, row_max + 1):
+ if index > 0 and index < len(temp_list):
+ new_row, _ = temp_list[index]
+ if row != new_row:
+ temp_list.insert(index, (None, None))
+ if index - 1 >= 0:
+ new_row, _ = temp_list[index - 1]
+ if not new_row == None and new_row != ' ':
+ label += create_label(col_name, None,
+ int(new_row) + 1)
+ else:
+ label += "]"
+ label += ","
+ if index + 1 < len(temp_list):
+ new_row, _ = temp_list[index + 1]
+ if not new_row == None:
+ label += create_label(col_name,
+ int(new_row) + 1, None)
+ if row_min != None and row_max != None:
+ if index == 0:
+ label += create_label(col_name,
+ int(row_min) + 1, None)
+ elif index == len(temp_list) - 1:
+ label += create_label(col_name, None,
+ int(row_max) + 1)
+ index += 1
+ # clean up the list
+ label_out = ''
+ for item in label.split(','):
+ if item.split(":")[1] == "]":
+ continue
+ else:
+ label_out += item + ","
+
+ return label_out, col_title
+
+ def on_close_page(self, event):
+ """
+ close the page
+ """
+
+ if self.GetPageCount() == 1:
+ event.Veto()
+ wx.CallAfter(self.enable_close_button)
+
+ def set_data(self, data_inputs, data_outputs, details="", file_name=None):
+ """
+ """
+ if data_outputs is None or data_outputs == {}:
+ return
+ inputs, outputs = self.get_odered_results(data_inputs, data_outputs)
+ for pos in range(self.GetPageCount()):
+ grid = self.GetPage(pos)
+ if grid.data is None:
+ #Found empty page
+ grid.set_data(data_inputs=inputs,
+ data_outputs=outputs,
+ details=details,
+ file_name=file_name)
+ self.SetSelection(pos)
+ return
+
+ grid, pos = self.add_empty_page()
+ grid.set_data(data_inputs=inputs,
+ data_outputs=outputs,
+ file_name=file_name,
+ details=details)
+
+ def get_odered_results(self, inputs, outputs=None):
+ """
+ Order a list of 'inputs.' Used to sort rows and columns to present
+ in batch results grid.
+ """
+
+ # Let's re-order the data from the keys in 'Data' name.
+ if outputs == None:
+ return
+ try:
+ # For outputs from batch
+ to_be_sort = [str(item.label) for item in outputs['Data']]
+ except:
+ # When inputs are from an external file
+ return inputs, outputs
+ inds = numpy.lexsort((to_be_sort, to_be_sort))
+ for key in outputs.keys():
+ key_list = outputs[key]
+ temp_key = [item for item in key_list]
+ for ind in inds:
+ temp_key[ind] = key_list[inds[ind]]
+ outputs[key] = temp_key
+ for key in inputs.keys():
+ key_list = inputs[key]
+ if len(key_list) == len(inds):
+ temp_key = [item for item in key_list]
+ for ind in inds:
+ temp_key[ind] = key_list[inds[ind]]
+ inputs[key] = temp_key
+ else:
+ inputs[key] = []
+
+ return inputs, outputs
+
+ def add_column(self):
+ """
+ Append a new column to the grid
+ """
+
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ pos = self.GetSelection()
+ grid = self.GetPage(pos)
+ grid.AppendCols(1, True)
+
+ def on_remove_column(self):
+ """
+ Remove the selected column from the grid
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ pos = self.GetSelection()
+ grid = self.GetPage(pos)
+ grid.on_remove_column(event=None)
+
+class GridPanel(SPanel):
+ """
+ A ScrolledPanel class that contains the grid sheet as well as a number of
+ widgets to create interesting plots and buttons for help etc.
+ """
+
+ def __init__(self, parent, data_inputs=None,
+ data_outputs=None, *args, **kwds):
+ """
+ Initialize the GridPanel
+ """
+
+ SPanel.__init__(self, parent, *args, **kwds)
+
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+
+ self.plotting_sizer = wx.FlexGridSizer(3, 7, 10, 5)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.grid_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.vbox.AddMany([(self.grid_sizer, 1, wx.EXPAND, 0),
+ (wx.StaticLine(self, -1), 0, wx.EXPAND, 0),
+ (self.plotting_sizer),
+ (self.button_sizer, 0, wx.BOTTOM, 10)])
+ self.parent = parent
+ self._data_inputs = data_inputs
+ self._data_outputs = data_outputs
+ self.x = []
+ self.y = []
+ self.dy = []
+ self.x_axis_label = None
+ self.y_axis_label = None
+ self.dy_axis_label = None
+ self.x_axis_title = None
+ self.y_axis_title = None
+ self.x_axis_unit = None
+ self.y_axis_unit = None
+ self.view_button = None
+ self.plot_button = None
+ self.notebook = None
+ self.plot_num = 1
+
+ self.layout_grid()
+ self.layout_plotting_area()
+ self.SetSizer(self.vbox)
+
+ def set_xaxis(self, label="", x=None):
+ """
+ """
+ if x is None:
+ x = []
+ self.x = x
+ self.x_axis_label.SetValue("%s[:]" % str(label))
+ self.x_axis_title.SetValue(str(label))
+
+ def set_yaxis(self, label="", y=None):
+ """
+ """
+ if y is None:
+ y = []
+ self.y = y
+ self.y_axis_label.SetValue("%s[:]" % str(label))
+ self.y_axis_title.SetValue(str(label))
+
+ def set_dyaxis(self, label="", dy=None):
+ """
+ """
+ if dy is None:
+ dy = []
+ self.dy = dy
+ self.dy_axis_label.SetValue("%s[:]" % str(label))
+
+ def get_plot_axis(self, col, list):
+ """
+ """
+ axis = []
+ pos = self.notebook.GetSelection()
+ grid = self.notebook.GetPage(pos)
+ for row in list:
+ label = grid.GetCellValue(0, col)
+ value = grid.GetCellValue(row - 1, col).strip()
+ if value != "":
+ if label.lower().strip() == "data":
+ axis.append(float(row - 1))
+ else:
+ try:
+ axis.append(float(value))
+ except:
+ msg = "Invalid data in row %s column %s" % (str(row), str(col))
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info="error"))
+ return None
+ else:
+ axis.append(None)
+ return axis
+
+ def on_view(self, event):
+ """
+ Get object represented by the given cells and plot them. Basically
+ plot the colum in y vs the column in x.
+ """
+
+ pos = self.notebook.GetSelection()
+ grid = self.notebook.GetPage(pos)
+ title = self.notebook.GetPageText(pos)
+ self.notebook.get_highlighted_row(False)
+ if len(grid.selected_cells) == 0:
+ msg = "Highlight a Data or Chi2 column first..."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ elif len(grid.selected_cells) > 20:
+ msg = "Too many data (> 20) to plot..."
+ msg += "\n Please select no more than 20 data."
+ wx.MessageDialog(self, msg, 'Plotting', wx.OK)
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+
+ for cell in grid.selected_cells:
+ row, col = cell
+ label_row = 0
+ label = grid.GetCellValue(label_row, col)
+ if label in grid.data:
+ values = grid.data[label]
+ if row > len(values) or row < 1:
+ msg = "Invalid cell was chosen."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ continue
+ else:
+ value = values[row - 1]
+ if issubclass(value.__class__, BatchCell):
+ if value.object is None or len(value.object) == 0:
+ msg = "Row %s , " % str(row)
+ msg += "Column %s is NOT " % str(label)
+ msg += "the results of fits to view..."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ for new_plot in value.object:
+ if new_plot is None or \
+ not issubclass(new_plot.__class__,
+ plottables.Plottable):
+ msg = "Row %s , " % str(row)
+ msg += "Column %s is NOT " % str(label)
+ msg += "the results of fits to view..."
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info="error"))
+ return
+ if issubclass(new_plot.__class__, Data1D):
+ if label in grid.list_plot_panels.keys():
+ group_id = grid.list_plot_panels[label]
+ else:
+ group_id = str(new_plot.group_id) + str(grid.uid)
+ grid.list_plot_panels[label] = group_id
+ if group_id not in new_plot.list_group_id:
+ new_plot.group_id = group_id
+ new_plot.list_group_id.append(group_id)
+ else:
+ if label.lower() in ["data", "chi2"]:
+ if len(grid.selected_cells) != 1:
+ msg = "2D View: Please select one data set"
+ msg += " at a time for View Fit Results."
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info="error"))
+ return
+
+ wx.PostEvent(self.parent.parent,
+ NewPlotEvent(plot=new_plot,
+ group_id=str(new_plot.group_id),
+ title=title))
+ msg = "Plotting the View Fit Results completed!"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ else:
+ msg = "Row %s , " % str(row)
+ msg += "Column %s is NOT " % str(label)
+ msg += "the results of fits to view..."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+
+ def on_plot(self, event):
+ """
+ Evaluate the contains of textcrtl and plot result
+ """
+
+ pos = self.notebook.GetSelection()
+ grid = self.notebook.GetPage(pos)
+ column_names = {}
+ if grid is not None:
+ column_names = self.notebook.get_column_labels()
+ #evaluate x
+ sentence = self.x_axis_label.GetValue()
+ try:
+ if sentence.strip() == "":
+ msg = "Select column values for x axis"
+ raise ValueError, msg
+ except:
+ msg = "X axis value error."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ dict = parse_string(sentence, column_names.keys())
+
+ try:
+ sentence = self.get_sentence(dict, sentence, column_names)
+ x = eval(sentence)
+ except:
+ msg = "Need a proper x-range."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ #evaluate y
+ sentence = self.y_axis_label.GetValue()
+ try:
+ if sentence.strip() == "":
+ msg = "select value for y axis"
+ raise ValueError, msg
+ except:
+ msg = "Y axis value error."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ dict = parse_string(sentence, column_names.keys())
+ try:
+ sentence = self.get_sentence(dict, sentence, column_names)
+ y = eval(sentence)
+ except:
+ msg = "Need a proper y-range."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ #evaluate y
+ sentence = self.dy_axis_label.GetValue()
+ dy = None
+ if sentence.strip() != "":
+ dict = parse_string(sentence, column_names.keys())
+ sentence = self.get_sentence(dict, sentence, column_names)
+ try:
+ dy = eval(sentence)
+ except:
+ msg = "Need a proper dy-range."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ if len(x) != len(y) or (len(x) == 0 or len(y) == 0):
+ msg = "Need same length for X and Y axis and both greater than 0"
+ msg += " to plot.\n"
+ msg += "Got X length = %s, Y length = %s" % (str(len(x)), str(len(y)))
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ if dy != None and (len(y) != len(dy)):
+ msg = "Need same length for Y and dY axis and both greater than 0"
+ msg += " to plot.\n"
+ msg += "Got Y length = %s, dY length = %s" % (str(len(y)), str(len(dy)))
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ if dy == None:
+ dy = numpy.zeros(len(y))
+ #plotting
+ new_plot = Data1D(x=x, y=y, dy=dy)
+ new_plot.id = wx.NewId()
+ new_plot.is_data = False
+ new_plot.group_id = wx.NewId()
+ y_title = self.y_axis_title.GetValue()
+ x_title = self.x_axis_title.GetValue()
+ title = "%s_vs_%s" % (y_title, x_title)
+ new_plot.xaxis(x_title, self.x_axis_unit.GetValue())
+ new_plot.yaxis(y_title, self.y_axis_unit.GetValue())
+ try:
+ title = y_title.strip()
+ title += "_" + self.notebook.GetPageText(pos)
+ title += "_" + str(self.plot_num)
+ self.plot_num += 1
+ new_plot.name = title
+ new_plot.xtransform = "x"
+ new_plot.ytransform = "y"
+ wx.PostEvent(self.parent.parent,
+ NewPlotEvent(plot=new_plot,
+ group_id=str(new_plot.group_id), title=title))
+ msg = "Plotting completed!"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ self.parent.parent.update_theory(data_id=new_plot.id, theory=new_plot)
+ except:
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+
+ def on_help(self, event):
+ """
+ Bring up the Batch Grid Panel Usage Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ #import documentation window here to avoid circular imports
+ #if put at top of file with rest of imports.
+ from documentation_window import DocumentationWindow
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/fitting_help.html"
+ _PageAnchor = "#batch-fit-mode"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, _PageAnchor,
+ "Batch Mode Help")
+
+ def get_sentence(self, dict, sentence, column_names):
+ """
+ Get sentence from dict
+ """
+
+ for tok, (col_name, list) in dict.iteritems():
+ col = column_names[col_name]
+ axis = self.get_plot_axis(col, list)
+ if axis == None:
+ return None
+ sentence = sentence.replace(tok, "numpy.array(%s)" % str(axis))
+ for key, value in FUNC_DICT.iteritems():
+ sentence = sentence.replace(key.lower(), value)
+ return sentence
+
+ def layout_grid(self):
+ """
+ Draw the area related to the grid by adding it as the first element
+ in the panel's grid_sizer
+ """
+
+ self.notebook = Notebook(parent=self)
+ self.notebook.set_data(self._data_inputs, self._data_outputs)
+ self.grid_sizer.Add(self.notebook, 1, wx.EXPAND, 0)
+
+ def layout_plotting_area(self):
+ """
+ Add the area containing all the plot options, buttons etc to a plotting
+ area sizer to later be added to the top level grid_sizer
+ """
+
+ view_description = wx.StaticBox(self, -1, 'Plot Fits/Residuals')
+ note = "To plot the fits (or residuals), click the 'View Fits' button"
+ note += "\n after highlighting the Data names (or Chi2 values)."
+ note_text = wx.StaticText(self, -1, note)
+ boxsizer1 = wx.StaticBoxSizer(view_description, wx.HORIZONTAL)
+ self.x_axis_title = wx.TextCtrl(self, -1)
+ self.y_axis_title = wx.TextCtrl(self, -1)
+ self.x_axis_label = wx.TextCtrl(self, -1, size=(200, -1))
+ self.y_axis_label = wx.TextCtrl(self, -1, size=(200, -1))
+ self.dy_axis_label = wx.TextCtrl(self, -1, size=(200, -1))
+ self.x_axis_add = wx.Button(self, -1, "Add")
+ self.x_axis_add.Bind(event=wx.EVT_BUTTON, handler=self.on_edit_axis,
+ id=self.x_axis_add.GetId())
+ self.y_axis_add = wx.Button(self, -1, "Add")
+ self.y_axis_add.Bind(event=wx.EVT_BUTTON, handler=self.on_edit_axis,
+ id=self.y_axis_add.GetId())
+ self.dy_axis_add = wx.Button(self, -1, "Add")
+ self.dy_axis_add.Bind(event=wx.EVT_BUTTON, handler=self.on_edit_axis,
+ id=self.dy_axis_add.GetId())
+ self.x_axis_unit = wx.TextCtrl(self, -1)
+ self.y_axis_unit = wx.TextCtrl(self, -1)
+ self.view_button = wx.Button(self, -1, "View Fits")
+ view_tip = "Highlight the data set or the Chi2 column first."
+ self.view_button.SetToolTipString(view_tip)
+ wx.EVT_BUTTON(self, self.view_button.GetId(), self.on_view)
+ self.plot_button = wx.Button(self, -1, "Plot")
+ plot_tip = "Highlight a column for each axis and \n"
+ plot_tip += "click the Add buttons first."
+
+ self.plot_button.SetToolTipString(plot_tip)
+
+ self.help_button = wx.Button(self, -1, "HELP")
+ self.help_button.SetToolTipString("Get Help for Batch Mode")
+ self.help_button.Bind(wx.EVT_BUTTON, self.on_help)
+
+ boxsizer1.AddMany([(note_text, 0, wx.LEFT, 10),
+ (self.view_button, 0, wx.LEFT | wx.RIGHT, 10)])
+ self.button_sizer.AddMany([(boxsizer1, 0,
+ wx.LEFT | wx.RIGHT | wx.BOTTOM, 10),
+ (self.plot_button, 0,
+ wx.LEFT | wx.TOP | wx.BOTTOM, 12),
+ (self.help_button,0,
+ wx.LEFT | wx.TOP | wx.BOTTOM, 12)])
+
+ wx.EVT_BUTTON(self, self.plot_button.GetId(), self.on_plot)
+ self.plotting_sizer.AddMany(\
+ [(wx.StaticText(self, -1, "X-axis Label\nSelection Range"), 1,
+ wx.TOP | wx.BOTTOM | wx.LEFT, 10),
+ (self.x_axis_label, 1, wx.TOP | wx.BOTTOM, 10),
+ (self.x_axis_add, 1, wx.TOP | wx.BOTTOM | wx.RIGHT, 10),
+ (wx.StaticText(self, -1, "X-axis Label"), 1, wx.TOP | wx.BOTTOM | wx.LEFT, 10),
+ (self.x_axis_title, 1, wx.TOP | wx.BOTTOM, 10),
+ (wx.StaticText(self, -1, "X-axis Unit"), 1, wx.TOP | wx.BOTTOM, 10),
+ (self.x_axis_unit, 1, wx.TOP | wx.BOTTOM, 10),
+ (wx.StaticText(self, -1, "Y-axis Label\nSelection Range"), 1,
+ wx.BOTTOM | wx.LEFT, 10),
+ (self.y_axis_label, wx.BOTTOM, 10),
+ (self.y_axis_add, 1, wx.BOTTOM | wx.RIGHT, 10),
+ (wx.StaticText(self, -1, "Y-axis Label"), 1,
+ wx.BOTTOM | wx.LEFT, 10),
+ (self.y_axis_title, wx.BOTTOM, 10),
+ (wx.StaticText(self, -1, "Y-axis Unit"), 1, wx.BOTTOM, 10),
+ (self.y_axis_unit, 1, wx.BOTTOM, 10),
+ (wx.StaticText(self, -1, "dY-Bar (Optional)\nSelection Range"),
+ 1, wx.BOTTOM | wx.LEFT, 10),
+ (self.dy_axis_label, wx.BOTTOM, 10),
+ (self.dy_axis_add, 1, wx.BOTTOM | wx.RIGHT, 10),
+ (-1, -1),
+ (-1, -1),
+ (-1, -1),
+ (-1, 1)])
+
+ def on_edit_axis(self, event):
+ """
+ Get the selected column on the visible grid and set values for axis
+ """
+
+ try:
+ cell_list = self.notebook.on_edit_axis()
+ label, title = self.create_axis_label(cell_list)
+ except:
+ msg = str(sys.exc_value)
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info="error"))
+ return
+ tcrtl = event.GetEventObject()
+ if tcrtl == self.x_axis_add:
+ self.edit_axis_helper(self.x_axis_label, self.x_axis_title, label, title)
+ elif tcrtl == self.y_axis_add:
+ self.edit_axis_helper(self.y_axis_label, self.y_axis_title, label, title)
+ elif tcrtl == self.dy_axis_add:
+ self.edit_axis_helper(self.dy_axis_label, None, label, None)
+
+ def create_axis_label(self, cell_list):
+ """
+ Receive a list of cells and create a string presenting the selected
+ cells.
+
+ :param cell_list: list of tuple
+ """
+
+ if self.notebook is not None:
+ return self.notebook.create_axis_label(cell_list)
+
+ def edit_axis_helper(self, tcrtl_label, tcrtl_title, label, title):
+ """
+ get controls to modify
+ """
+
+ if label != None:
+ tcrtl_label.SetValue(str(label))
+ if title != None:
+ tcrtl_title.SetValue(str(title))
+
+ def add_column(self):
+ """
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ if self.notebook is not None:
+ self.notebook.add_column()
+
+ def on_remove_column(self):
+ """
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ if self.notebook is not None:
+ self.notebook.on_remove_column()
+
+
+class GridFrame(wx.Frame):
+ """
+ The main wx.Frame for the batch results grid
+ """
+
+ def __init__(self, parent=None, data_inputs=None, data_outputs=None, id=-1,
+ title="Batch Fitting Results Panel", size=(800, 500)):
+ """
+ Initialize the Frame
+ """
+
+ wx.Frame.__init__(self, parent=parent, id=id, title=title, size=size)
+ self.parent = parent
+ self.panel = GridPanel(self, data_inputs, data_outputs)
+ menubar = wx.MenuBar()
+ self.SetMenuBar(menubar)
+
+ self.curr_col = None
+ self.curr_grid = None
+ self.curr_col_name = ""
+ self.file = wx.Menu()
+ menubar.Append(self.file, "&File")
+
+ hint = "Open file containing batch results"
+ open_menu = self.file.Append(wx.NewId(), 'Open ', hint)
+ wx.EVT_MENU(self, open_menu.GetId(), self.on_open)
+
+ hint = "Open the the current grid into excel"
+ self.open_excel_menu = self.file.Append(wx.NewId(), 'Open with Excel', hint)
+ wx.EVT_MENU(self, self.open_excel_menu.GetId(), self.open_with_excel)
+ self.file.AppendSeparator()
+ self.save_menu = self.file.Append(wx.NewId(), 'Save As', 'Save into File')
+ wx.EVT_MENU(self, self.save_menu.GetId(), self.on_save_page)
+
+ # We need to grab a WxMenu handle here, otherwise the next one to grab
+ # the handle will be treated as the Edit Menu handle when checking in
+ # on_menu_open event handler and thus raise an exception when it hits an
+ # unitialized object. Alternative is to comment out that whole section
+ # in on_menu_open, but that would make it more difficult to undo the
+ # hidding of the menu. PDB July 12, 2015.
+ #
+ # To enable the Edit menubar comment out next line and uncomment the
+ # following line.
+ self.edit = wx.Menu()
+ #self.add_edit_menu()
+
+ self.Bind(wx.EVT_MENU_OPEN, self.on_menu_open)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+
+ def add_edit_menu(self, menubar):
+ """
+ populates the edit menu on the menubar. Not activated as of SasView
+ 3.1.0
+ """
+ self.edit = wx.Menu()
+
+ add_table_menu = self.edit.Append(-1, 'New Table',
+ 'Add a New Table')
+ self.edit.AppendSeparator()
+ wx.EVT_MENU(self, add_table_menu.GetId(), self.add_table)
+
+ self.copy_menu = self.edit.Append(-1, 'Copy',
+ 'Copy the selected cells')
+ wx.EVT_MENU(self, self.copy_menu.GetId(), self.on_copy)
+ self.paste_menu = self.edit.Append(-1, 'Paste',
+ 'Paste the selected Cells')
+ wx.EVT_MENU(self, self.paste_menu.GetId(), self.on_paste)
+ self.clear_menu = self.edit.Append(-1, 'Clear',
+ 'Clear the selected Cells')
+ wx.EVT_MENU(self, self.clear_menu.GetId(), self.on_clear)
+
+ self.edit.AppendSeparator()
+ hint = "Insert column before the selected column"
+ self.insert_before_menu = wx.Menu()
+ self.insertb_sub_menu = self.edit.AppendSubMenu(self.insert_before_menu,
+ 'Insert Before', hint)
+ hint = "Insert column after the selected column"
+ self.insert_after_menu = wx.Menu()
+ self.inserta_sub_menu = self.edit.AppendSubMenu(self.insert_after_menu,
+ 'Insert After', hint)
+ hint = "Remove the selected column"
+ self.remove_menu = self.edit.Append(-1, 'Remove Column', hint)
+ wx.EVT_MENU(self, self.remove_menu.GetId(), self.on_remove_column)
+ menubar.Append(self.edit, "&Edit")
+
+ def on_copy(self, event):
+ """
+ On Copy from the Edit menu item on the menubar
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ if event != None:
+ event.Skip()
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ grid.Copy()
+
+ def on_paste(self, event):
+ """
+ On Paste from the Edit menu item on the menubar
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ if event != None:
+ event.Skip()
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ grid.on_paste(None)
+
+ def on_clear(self, event):
+ """
+ On Clear from the Edit menu item on the menubar
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ grid.Clear()
+
+ def GetLabelText(self, id):
+ """
+ Get Label Text
+ """
+ for item in self.insert_before_menu.GetMenuItems():
+ m_id = item.GetId()
+ if m_id == id:
+ return item.GetLabel()
+
+ def on_remove_column(self, event):
+ """
+ On remove column from the Edit menu Item on the menubar
+ """
+ # I Believe this is no longer used now that we have removed the
+ # edit menu from the menubar - PDB July 12, 2015
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ grid.on_remove_column(event=None)
+
+ def on_menu_open(self, event):
+ """
+ On menu open
+ """
+ if self.file == event.GetMenu():
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ has_data = (grid.data != None and grid.data != {})
+ self.open_excel_menu.Enable(has_data)
+ self.save_menu.Enable(has_data)
+
+ if self.edit == event.GetMenu():
+ #get the selected column
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ col_list = grid.GetSelectedCols()
+ has_selection = False
+ selected_cel = grid.selected_cells
+ if len(selected_cel) > 0:
+ _row, _col = selected_cel[0]
+ has_selection = grid.IsInSelection(_row, _col)
+ if len(grid.selected_cols) > 0:
+ has_selection = True
+ if len(grid.selected_rows) > 0:
+ has_selection = True
+ self.copy_menu.Enable(has_selection)
+ self.clear_menu.Enable(has_selection)
+
+ if len(col_list) > 0:
+ self.remove_menu.Enable(True)
+ else:
+ self.remove_menu.Enable(False)
+ if len(col_list) == 0 or len(col_list) > 1:
+ self.insertb_sub_menu.Enable(False)
+ self.inserta_sub_menu.Enable(False)
+ label = "Insert Column Before"
+ self.insertb_sub_menu.SetText(label)
+ label = "Insert Column After"
+ self.inserta_sub_menu.SetText(label)
+ else:
+ self.insertb_sub_menu.Enable(True)
+ self.inserta_sub_menu.Enable(True)
+
+ col = col_list[0]
+ col_name = grid.GetCellValue(row=0, col=col)
+ label = "Insert Column Before " + str(col_name)
+ self.insertb_sub_menu.SetText(label)
+ for item in self.insert_before_menu.GetMenuItems():
+ self.insert_before_menu.DeleteItem(item)
+ grid.insert_col_menu(menu=self.insert_before_menu,
+ label=col_name, window=self)
+ label = "Insert Column After " + str(col_name)
+ self.inserta_sub_menu.SetText(label)
+ for item in self.insert_after_menu.GetMenuItems():
+ self.insert_after_menu.DeleteItem(item)
+ grid.insert_after_col_menu(menu=self.insert_after_menu,
+ label=col_name, window=self)
+ event.Skip()
+
+
+
+ def on_save_page(self, event):
+ """
+ Saves data in grid to a csv file.
+
+ At this time only the columns displayed get saved. Thus any error
+ bars not inserted before saving will not be saved in the file
+ """
+
+ if self.parent is not None:
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ if grid.file_name is None or grid.file_name.strip() == "" or \
+ grid.data is None or len(grid.data) == 0:
+ name = self.panel.notebook.GetPageText(pos)
+ msg = " %s has not data to save" % str(name)
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg, info="error"))
+
+ return
+ reader, ext = os.path.splitext(grid.file_name)
+ path = None
+ if self.parent is not None:
+ location = os.path.dirname(grid.file_name)
+ dlg = wx.FileDialog(self, "Save Project file",
+ location, grid.file_name, ext, wx.SAVE)
+ path = None
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ dlg.Destroy()
+ if path != None:
+ if self.parent is not None:
+ data = grid.get_grid_view()
+ self.parent.write_batch_tofile(data=data,
+ file_name=path,
+ details=grid.details)
+
+ def on_open(self, event):
+ """
+ Open file containing batch result
+ """
+
+ if self.parent is not None:
+ self.parent.on_read_batch_tofile(self)
+
+ def open_with_excel(self, event):
+ """
+ open excel and display batch result in Excel
+ """
+
+ if self.parent is not None:
+ pos = self.panel.notebook.GetSelection()
+ grid = self.panel.notebook.GetPage(pos)
+ data = grid.get_grid_view()
+ if grid.file_name is None or grid.file_name.strip() == "" or \
+ grid.data is None or len(grid.data) == 0:
+ name = self.panel.notebook.GetPageText(pos)
+ msg = " %s has not data to open on excel" % str(name)
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg, info="error"))
+
+ return
+ self.parent.open_with_externalapp(data=data,
+ file_name=grid.file_name,
+ details=grid.details)
+
+ def on_close(self, event):
+ """
+ """
+ self.Hide()
+
+ def on_append_column(self, event):
+ """
+ Append a new column to the grid
+ """
+ self.panel.add_column()
+
+ def set_data(self, data_inputs, data_outputs, details="", file_name=None):
+ """
+ Set data
+ """
+ self.panel.notebook.set_data(data_inputs=data_inputs,
+ file_name=file_name,
+ details=details,
+ data_outputs=data_outputs)
+
+ def add_table(self, event):
+ """
+ Add a new table
+ """
+ # DO not event.Skip(): it will make 2 pages
+ self.panel.notebook.add_empty_page()
+
+class BatchOutputFrame(wx.Frame):
+ """
+ Allow to select where the result of batch will be displayed or stored
+ """
+ def __init__(self, parent, data_inputs, data_outputs, file_name="",
+ details="", *args, **kwds):
+ """
+ Initialize dialog
+
+ :param parent: Window instantiating this dialog
+ :param result: result to display in a grid or export to an external\
+ application.
+ """
+
+ #kwds['style'] = wx.CAPTION|wx.SYSTEM_MENU
+ wx.Frame.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self.panel = wx.Panel(self)
+ self.file_name = file_name
+ self.details = details
+ self.data_inputs = data_inputs
+ self.data_outputs = data_outputs
+ self.data = {}
+ for item in (self.data_outputs, self.data_inputs):
+ self.data.update(item)
+ self.flag = 1
+ self.SetSize((300, 200))
+ self.local_app_selected = None
+ self.external_app_selected = None
+ self.save_to_file = None
+ self._do_layout()
+
+ def _do_layout(self):
+ """
+ Draw the content of the current dialog window
+ """
+
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ box_description = wx.StaticBox(self.panel, -1, str("Batch Outputs"))
+ hint_sizer = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ selection_sizer = wx.GridBagSizer(5, 5)
+ button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ text = "Open with %s" % self.parent.application_name
+ self.local_app_selected = wx.RadioButton(self.panel, -1, text, style=wx.RB_GROUP)
+ self.Bind(wx.EVT_RADIOBUTTON, self.onselect,
+ id=self.local_app_selected.GetId())
+ text = "Open with Excel"
+ self.external_app_selected = wx.RadioButton(self.panel, -1, text)
+ self.Bind(wx.EVT_RADIOBUTTON, self.onselect, id=self.external_app_selected.GetId())
+ text = "Save to File"
+ self.save_to_file = wx.CheckBox(self.panel, -1, text)
+ self.Bind(wx.EVT_CHECKBOX, self.onselect, id=self.save_to_file.GetId())
+ self.local_app_selected.SetValue(True)
+ self.external_app_selected.SetValue(False)
+ self.save_to_file.SetValue(False)
+ button_close = wx.Button(self.panel, -1, "Close")
+ button_close.Bind(wx.EVT_BUTTON, id=button_close.GetId(), handler=self.on_close)
+ button_apply = wx.Button(self.panel, -1, "Apply")
+ button_apply.Bind(wx.EVT_BUTTON, id=button_apply.GetId(), handler=self.on_apply)
+ button_apply.SetFocus()
+ hint = ""
+ hint_sizer.Add(wx.StaticText(self.panel, -1, hint))
+ hint_sizer.Add(selection_sizer)
+ #draw area containing radio buttons
+ ix = 0
+ iy = 0
+ selection_sizer.Add(self.local_app_selected, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ selection_sizer.Add(self.external_app_selected, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ selection_sizer.Add(self.save_to_file, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ #contruction the sizer contaning button
+ button_sizer.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ button_sizer.Add(button_close, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ button_sizer.Add(button_apply, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ vbox.Add(hint_sizer, 0, wx.EXPAND | wx.ALL, 10)
+ vbox.Add(wx.StaticLine(self.panel, -1), 0, wx.EXPAND, 0)
+ vbox.Add(button_sizer, 0, wx.TOP | wx.BOTTOM, 10)
+ self.SetSizer(vbox)
+
+ def on_apply(self, event):
+ """
+ Get the user selection and display output to the selected application
+ """
+
+ if self.flag == 1:
+ self.parent.open_with_localapp(data_inputs=self.data_inputs,
+ data_outputs=self.data_outputs)
+ elif self.flag == 2:
+ self.parent.open_with_externalapp(data=self.data,
+ file_name=self.file_name,
+ details=self.details)
+ def on_close(self, event):
+ """
+ close the Window
+ """
+
+ self.Close()
+
+ def onselect(self, event=None):
+ """
+ Receive event and display data into third party application
+ or save data to file.
+ """
+ if self.save_to_file.GetValue():
+ _, ext = os.path.splitext(self.file_name)
+ path = None
+ location = os.getcwd()
+ if self.parent is not None:
+ location = os.path.dirname(self.file_name)
+ dlg = wx.FileDialog(self, "Save Project file",
+ location, self.file_name, ext, wx.SAVE)
+ path = None
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ dlg.Destroy()
+ if path != None:
+ if self.parent is not None and self.data is not None:
+ self.parent.write_batch_tofile(data=self.data,
+ file_name=path,
+ details=self.details)
+ if self.local_app_selected.GetValue():
+ self.flag = 1
+ else:
+ self.flag = 2
+ return self.flag
+
+
+
+if __name__ == "__main__":
+ app = wx.App()
+
+ try:
+ data = {}
+ j = 0
+ for i in range(4):
+ j += 1
+ data["index" + str(i)] = [i / j, i * j, i, i + j]
+
+ data_input = copy.deepcopy(data)
+ data_input["index5"] = [10, 20, 40, 50]
+ frame = GridFrame(data_outputs=data, data_inputs=data_input)
+ frame.Show(True)
+ except:
+ print sys.exc_value
+
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/data_state.py b/src/sas/sasgui/guiframe/data_state.py
new file mode 100644
index 0000000..6c3d985
--- /dev/null
+++ b/src/sas/sasgui/guiframe/data_state.py
@@ -0,0 +1,108 @@
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2010, University of Tennessee
+################################################################################
+"""
+"""
+import copy
+
+
+class DataState(object):
+ """
+ Store information about data
+ """
+ def __init__(self, data=None, parent=None):
+ """
+
+ """
+ self.parent = parent
+ self.data = data
+ self.name = ""
+ self.path = None
+ self.theory_list = {}
+ self.message = ""
+ self.id = None
+
+ def __str__(self):
+ _str = ""
+ _str += "State with ID : %s \n" % str(self.id)
+ if self.data is not None:
+ _str += "Data name : %s \n" % str(self.data.name)
+ _str += "Data ID : %s \n" % str(self.data.id)
+ _str += "Theories available: %s \n" % len(self.theory_list)
+ if self.theory_list:
+ for id, item in self.theory_list.iteritems():
+ theory_data, theory_state = item
+ _str += "Theory name : %s \n" % str(theory_data.name)
+ _str += "Theory ID : %s \n" % str(id)
+ _str += "Theory info: \n"
+ _str += str(theory_data)
+
+ return _str
+
+ def clone(self):
+ obj = DataState(copy.deepcopy(self.data))
+ obj.parent = self.parent
+ obj.name = self.name
+ obj.path = self.path
+ obj.message = self.message
+ obj.id = self.id
+ for id, item in self.theory_list.iteritems():
+ theory_data, theory_state = item
+ state = None
+ if theory_state is not None:
+ state = theory_state.clone()
+ obj.theory_list[id] = [copy.deepcopy(theory_data),
+ state]
+ return obj
+
+ def set_name(self, name):
+ self.name = name
+
+ def get_name(self):
+ return self.name
+
+ def set_data(self, data):
+ """
+ """
+ self.data = data
+
+
+ def get_data(self):
+ """
+ """
+ return self.data
+
+ def set_path(self, path):
+ """
+ Set the path of the loaded data
+ """
+ self.path = path
+
+ def get_path(self):
+ """
+ return the path of the loaded data
+ """
+ return self.path
+
+ def set_theory(self, theory_data, theory_state=None):
+ """
+ """
+ self.theory_list[theory_data.id] = [theory_data, theory_state]
+ data, state = self.theory_list.values()[0]
+
+ def get_theory(self):
+ return self.theory_list
+
+ def get_message(self):
+ """
+ return message
+ """
+ return self.message
+
+
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/documentation_window.py b/src/sas/sasgui/guiframe/documentation_window.py
new file mode 100644
index 0000000..88298f8
--- /dev/null
+++ b/src/sas/sasgui/guiframe/documentation_window.py
@@ -0,0 +1,101 @@
+"""
+documentation module provides a simple means to add help throughout the
+application. It checks for the existence of html2 package needed to support
+fully html panel which supports css. The class defined here takes a title for
+the particular help panel, a pointer to the html documentation file of interest
+within the documentation tree along with a 'command' string such as a page
+anchor or a query string etc. The path to the doc directory is retrieved
+automatically by the class itself. Thus with these three pieces of information
+the class generates a panel with the appropriate title bar and help file
+formatted according the style sheets called in the html file. Finally, if an
+old version of Python is running and the html2 package is not available the
+class brings up the default browser and passes the file:/// string to it. In
+this case however the instruction portion is usually not passed for security
+reasons.
+"""
+import os
+import logging
+import wx
+import webbrowser
+import urllib
+import sys
+
+SPHINX_DOC_ENV = "SASVIEW_DOC_PATH"
+WX_SUPPORTS_HTML2 = True
+try:
+ import wx.html2 as html
+except:
+ WX_SUPPORTS_HTML2 = False
+
+
+from gui_manager import get_app_dir
+
+
+class DocumentationWindow(wx.Frame):
+ """
+ DocumentationWindow inherits from wx.Frame and provides a centralized
+ coherent framework for all help documentation. Help files must be html
+ files stored in an properly organized tree below the top 'doc' folder. In
+ order to display the appropriate help file from anywhere in the gui, the
+ code simply needs to know the location below the top level where the
+ help file resides along with the name of the help file.
+ called
+ (self, parent, dummy_id, path, url_instruction, title, size=(850, 540))
+
+ :param path: path to html file beginning AFTER /doc/ and ending in the\
+ file.html.
+ :param url_instructions: anchor string or other query e.g. '#MyAnchor'
+ :param title: text to place in the title bar of the help panel
+ """
+ def __init__(self, parent, dummy_id, path, url_instruction, title, size=(850, 540)):
+ wx.Frame.__init__(self, parent, dummy_id, title, size=size)
+
+ if SPHINX_DOC_ENV in os.environ:
+ docs_path = os.path.join(os.environ[SPHINX_DOC_ENV])
+ else:
+ # For the installer, docs are in a top-level directory. We're not
+ # bothering to worry about docs when running using the old
+ # (non - run.py) way.
+ docs_path = os.path.join(get_app_dir(), "doc")
+
+ #note that filepath for mac OS, at least in bundle starts with a
+ #forward slash as /Application, while the PC string begins C:\
+ #It seems that mac OS is happy with four slashes as in file:////App...
+ #Two slashes is not sufficient to indicate path from root. Thus for now
+ #we use "file:///" +... If the mac behavior changes may need to make the
+ #file:/// be another constant at the beginning that yields // for Mac
+ #and /// for PC.
+ #Note added June 21, 2015 PDB
+ file_path = os.path.join(docs_path, path)
+ url = "file:///" + urllib.quote(file_path, r'/\:')+ url_instruction
+
+ if not os.path.exists(file_path):
+ logging.error("Could not find Sphinx documentation at %s \
+ -- has it been built?", file_path)
+ #Commenting following 5 lines, so default browser is forced
+ #This is due to CDN mathjax discontinuation of service, intenal help
+ #browser should be back with qt version
+ #Note added by Wojtek Potrzebowski, July 4th 2017
+ # elif WX_SUPPORTS_HTML2:
+ # # Complete HTML/CSS support!
+ # self.view = html.WebView.New(self)
+ # self.view.LoadURL(url)
+ # self.Show()
+ else:
+ logging.error("No html2 support, popping up a web browser")
+ #For cases that do not build against current version dependency
+ # Wx 3.0 we provide a webbrowser call - this is particularly for
+ #Red hat used at SNS for which Wx 3.0 is not available. This
+ #does not deal with issue of math in docs of course.
+ webbrowser.open_new_tab(url)
+
+def main():
+ """
+ main loop function if running alone for testing.
+ """
+ app = wx.App()
+ DocumentationWindow(None, -1, "index.html", "", "Documentation",)
+ app.MainLoop()
+
+if __name__ == '__main__':
+ main()
diff --git a/src/sas/sasgui/guiframe/dummyapp.py b/src/sas/sasgui/guiframe/dummyapp.py
new file mode 100644
index 0000000..10547c0
--- /dev/null
+++ b/src/sas/sasgui/guiframe/dummyapp.py
@@ -0,0 +1,126 @@
+"""
+Dummy application.
+Allows the user to set an external data manager
+"""
+import sas.sasgui.guiframe.gui_manager as gui_manager
+
+from sas.sasgui.guiframe.plugin_base import PluginBase
+
+class DummyView(gui_manager.SasViewApp):
+ """
+ """
+
+class TestPlugin(PluginBase):
+
+ def populate_menu(self, parent):
+ """
+ Create and return the list of application menu
+ items for the plug-in.
+ :param parent: parent window
+
+ :return: plug-in menu
+
+ """
+ import wx
+ # Create a menu
+ plug_menu = wx.Menu()
+
+ # Always get event IDs from wx
+ id = wx.NewId()
+
+ # Fill your menu
+ plug_menu.Append(id, '&Do something')
+ def _on_do_something(event):
+ print "Do something"
+ wx.EVT_MENU(self.parent, id, _on_do_something)
+
+ # Returns the menu and a name for it.
+ return [(plug_menu, "DummyApp")]
+
+ def get_panels(self, parent):
+ """
+ Create and return the list of wx.Panels for your plug-in.
+ Define the plug-in perspective.
+
+ Panels should inherit from DefaultPanel defined below,
+ or should present the same interface. They must define
+ "window_caption" and "window_name".
+
+ :param parent: parent window
+
+ :return: list of panels
+
+ """
+ ## Save a reference to the parent
+ self.parent = parent
+
+ # Define a panel
+ defaultpanel = gui_manager.DefaultPanel(self.parent, -1)
+ defaultpanel.window_name = "Test"
+
+ # If needed, add its name to the perspective list
+ self.perspective = [defaultpanel.window_name]
+
+ # Return the list of panels
+ return [defaultpanel]
+
+ def get_tools(self):
+ """
+ Returns a set of menu entries for tools
+ """
+ def _test_dialog(event):
+ import wx
+ frame = wx.Dialog(None, -1, 'Test Tool')
+ frame.Show(True)
+ return [["Tool 1", "This is an example tool", _test_dialog],
+ ["Tool 2", "This is another example tool", _test_dialog]]
+
+ def get_context_menu(self, graph=None):
+ """
+ This method is optional.
+
+ When the context menu of a plot is rendered, the
+ get_context_menu method will be called to give you a
+ chance to add a menu item to the context menu.
+
+ A ref to a Graph object is passed so that you can
+ investigate the plot content and decide whether you
+ need to add items to the context menu.
+
+ This method returns a list of menu items.
+ Each item is itself a list defining the text to
+ appear in the menu, a tool-tip help text, and a
+ call-back method.
+
+ :param graph: the Graph object to which we attach the context menu
+
+ :return: a list of menu items with call-back function
+ """
+ return [["Menu text",
+ "Tool-tip help text",
+ "self._on_context_do_something"]]
+
+class SasView():
+
+ def __init__(self):
+ """
+ Initialization
+ """
+ self.gui = DummyView(0)
+
+ fitting_plug = TestPlugin()
+ self.gui.add_perspective(fitting_plug)
+
+ # Build the GUI
+ self.gui.build_gui()
+
+ # Set the application manager for the GUI
+ self.gui.set_manager(self)
+
+ # Start the main loop
+ self.gui.MainLoop()
+
+if __name__ == "__main__":
+ from multiprocessing import freeze_support
+ freeze_support()
+ sasview = SasView()
diff --git a/src/sas/sasgui/guiframe/events.py b/src/sas/sasgui/guiframe/events.py
new file mode 100644
index 0000000..a595221
--- /dev/null
+++ b/src/sas/sasgui/guiframe/events.py
@@ -0,0 +1,37 @@
+import wx.lib.newevent
+#send data to data manager
+(NewStoreDataEvent, EVT_NEW_STORE_DATA) = wx.lib.newevent.NewEvent()
+# send data to other perspectives
+(NewLoadedDataEvent, EVT_NEW_LOADED_DATA) = wx.lib.newevent.NewEvent()
+# plot data
+(NewPlotEvent, EVT_NEW_PLOT) = wx.lib.newevent.NewEvent()
+# plot Qrange
+(PlotQrangeEvent, EVT_PLOT_QRANGE) = wx.lib.newevent.NewEvent()
+# set plot limits
+(PlotLimitEvent, EVT_PLOT_LIM) = wx.lib.newevent.NewEvent()
+# print the messages on statusbar
+(StatusEvent, EVT_STATUS) = wx.lib.newevent.NewEvent()
+#create a panel slicer
+(SlicerPanelEvent, EVT_SLICER_PANEL) = wx.lib.newevent.NewEvent()
+#print update paramaters for panel slicer
+(SlicerParamUpdateEvent, EVT_SLICER_PARS_UPDATE) = wx.lib.newevent.NewEvent()
+#update the slicer from the panel
+(SlicerParameterEvent, EVT_SLICER_PARS) = wx.lib.newevent.NewEvent()
+#slicer event
+(SlicerEvent, EVT_SLICER) = wx.lib.newevent.NewEvent()
+## event that that destroy panel name in the datapanel combobox
+(DeletePlotPanelEvent, EVT_DELETE_PLOTPANEL) = wx.lib.newevent.NewEvent()
+##event that allow to add more that to the same plot
+(AddManyDataEvent, EVT_ADD_MANY_DATA) = wx.lib.newevent.NewEvent()
+##event for the panel on focus
+(PanelOnFocusEvent, EVT_PANEL_ON_FOCUS) = wx.lib.newevent.NewEvent()
+#book mark event
+(AppendBookmarkEvent, EVT_APPEND_BOOKMARK) = wx.lib.newevent.NewEvent()
+#event to ask dataloader plugin to load data if dataloader plugin exist
+(NewLoadDataEvent, EVT_NEW_LOAD_DATA) = wx.lib.newevent.NewEvent()
+#event to toggle from single model to batch
+(NewBatchEvent, EVT_NEW_BATCH) = wx.lib.newevent.NewEvent()
+##color event
+(NewColorEvent, EVT_NEW_COLOR) = wx.lib.newevent.NewEvent()
+##change category event
+(ChangeCategoryEvent, EVT_CATEGORY) = wx.lib.newevent.NewEvent()
diff --git a/src/sas/sasgui/guiframe/gui_manager.py b/src/sas/sasgui/guiframe/gui_manager.py
new file mode 100644
index 0000000..b7edae1
--- /dev/null
+++ b/src/sas/sasgui/guiframe/gui_manager.py
@@ -0,0 +1,3572 @@
+"""
+ Gui manager: manages the widgets making up an application
+"""
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txtz
+#
+# copyright 2008, University of Tennessee
+################################################################################
+
+
+import wx
+import wx.aui
+import os
+import sys
+import time
+import imp
+import warnings
+import re
+import logging
+import httplib
+import traceback
+import urllib
+import urllib2
+import json
+
+from sas.sasgui.guiframe.events import EVT_CATEGORY
+from sas.sasgui.guiframe.events import EVT_STATUS
+from sas.sasgui.guiframe.events import EVT_APPEND_BOOKMARK
+from sas.sasgui.guiframe.events import EVT_PANEL_ON_FOCUS
+from sas.sasgui.guiframe.events import EVT_NEW_LOAD_DATA
+from sas.sasgui.guiframe.events import EVT_NEW_COLOR
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.guiframe.data_panel import DataPanel
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.gui_toolbar import GUIToolBar
+from sas.sasgui.guiframe.data_processor import GridFrame
+from sas.sasgui.guiframe.events import EVT_NEW_BATCH
+from sas.sasgui.guiframe.CategoryManager import CategoryManager
+from sas.sascalc.dataloader.loader import Loader
+from sas.sasgui.guiframe.proxy import Connection
+from matplotlib import _pylab_helpers
+
+warnings.simplefilter("ignore")
+
+
+def get_app_dir():
+ """
+ The application directory is the one where the default custom_config.py
+ file resides.
+
+ :returns: app_path - the path to the applicatin directory
+ """
+ # First, try the directory of the executable we are running
+ app_path = sys.path[0]
+ if os.path.isfile(app_path):
+ app_path = os.path.dirname(app_path)
+ if os.path.isfile(os.path.join(app_path, "custom_config.py")):
+ app_path = os.path.abspath(app_path)
+ logging.info("Using application path: %s", app_path)
+ return app_path
+
+ # Next, try the current working directory
+ if os.path.isfile(os.path.join(os.getcwd(), "custom_config.py")):
+ logging.info("Using application path: %s", os.getcwd())
+ return os.path.abspath(os.getcwd())
+
+ # Finally, try the directory of the sasview module
+ # TODO: gui_manager will have to know about sasview until we
+ # clean all these module variables and put them into a config class
+ # that can be passed by sasview.py.
+ logging.info(sys.executable)
+ logging.info(str(sys.argv))
+ from sas import sasview as sasview
+ app_path = os.path.dirname(sasview.__file__)
+ logging.info("Using application path: %s", app_path)
+ return app_path
+
+
+def get_user_directory():
+ """
+ Returns the user's home directory
+ """
+ userdir = os.path.join(os.path.expanduser("~"), ".sasview")
+ if not os.path.isdir(userdir):
+ os.makedirs(userdir)
+ return userdir
+
+
+def _find_local_config(file, path):
+ """
+ Find configuration file for the current application
+ """
+ config_module = None
+ fObj = None
+ try:
+ fObj, path_config, descr = imp.find_module(file, [path])
+ config_module = imp.load_module(file, fObj, path_config, descr)
+ except:
+ logging.error("Error loading %s/%s: %s" % (path, file, sys.exc_value))
+ finally:
+ if fObj is not None:
+ fObj.close()
+ logging.info("GuiManager loaded %s/%s" % (path, file))
+ return config_module
+
+# Get APP folder
+PATH_APP = get_app_dir()
+DATAPATH = PATH_APP
+
+# GUI always starts from the App folder
+# os.chdir(PATH_APP)
+# Read in the local config, which can either be with the main
+# application or in the installation directory
+config = _find_local_config('local_config', PATH_APP)
+if config is None:
+ config = _find_local_config('local_config', os.getcwd())
+ if config is None:
+ # Didn't find local config, load the default
+ import sas.sasgui.guiframe.config as config
+ logging.info("using default local_config")
+ else:
+ logging.info("found local_config in %s" % os.getcwd())
+else:
+ logging.info("found local_config in %s" % PATH_APP)
+
+from sas.sasgui.guiframe.customdir import SetupCustom
+c_conf_dir = SetupCustom().setup_dir(PATH_APP)
+custom_config = _find_local_config('custom_config', c_conf_dir)
+if custom_config is None:
+ custom_config = _find_local_config('custom_config', os.getcwd())
+ if custom_config is None:
+ msgConfig = "Custom_config file was not imported"
+ logging.info(msgConfig)
+ else:
+ logging.info("using custom_config in %s" % os.getcwd())
+else:
+ logging.info("using custom_config from %s" % c_conf_dir)
+
+# read some constants from config
+APPLICATION_STATE_EXTENSION = config.APPLICATION_STATE_EXTENSION
+APPLICATION_NAME = config.__appname__
+SPLASH_SCREEN_PATH = config.SPLASH_SCREEN_PATH
+WELCOME_PANEL_ON = config.WELCOME_PANEL_ON
+SPLASH_SCREEN_WIDTH = config.SPLASH_SCREEN_WIDTH
+SPLASH_SCREEN_HEIGHT = config.SPLASH_SCREEN_HEIGHT
+SS_MAX_DISPLAY_TIME = config.SS_MAX_DISPLAY_TIME
+SAS_OPENCL = config.SAS_OPENCL
+if not WELCOME_PANEL_ON:
+ WELCOME_PANEL_SHOW = False
+else:
+ WELCOME_PANEL_SHOW = True
+try:
+ DATALOADER_SHOW = custom_config.DATALOADER_SHOW
+ TOOLBAR_SHOW = custom_config.TOOLBAR_SHOW
+ FIXED_PANEL = custom_config.FIXED_PANEL
+ if WELCOME_PANEL_ON:
+ WELCOME_PANEL_SHOW = custom_config.WELCOME_PANEL_SHOW
+ PLOPANEL_WIDTH = custom_config.PLOPANEL_WIDTH
+ DATAPANEL_WIDTH = custom_config.DATAPANEL_WIDTH
+ GUIFRAME_WIDTH = custom_config.GUIFRAME_WIDTH
+ GUIFRAME_HEIGHT = custom_config.GUIFRAME_HEIGHT
+ CONTROL_WIDTH = custom_config.CONTROL_WIDTH
+ CONTROL_HEIGHT = custom_config.CONTROL_HEIGHT
+ DEFAULT_PERSPECTIVE = custom_config.DEFAULT_PERSPECTIVE
+ CLEANUP_PLOT = custom_config.CLEANUP_PLOT
+ # custom open_path
+ open_folder = custom_config.DEFAULT_OPEN_FOLDER
+ if open_folder is not None and os.path.isdir(open_folder):
+ DEFAULT_OPEN_FOLDER = os.path.abspath(open_folder)
+ else:
+ DEFAULT_OPEN_FOLDER = PATH_APP
+ SAS_OPENCL = custom_config.SAS_OPENCL
+except:
+ DATALOADER_SHOW = True
+ TOOLBAR_SHOW = True
+ FIXED_PANEL = True
+ WELCOME_PANEL_SHOW = False
+ PLOPANEL_WIDTH = config.PLOPANEL_WIDTH
+ DATAPANEL_WIDTH = config.DATAPANEL_WIDTH
+ GUIFRAME_WIDTH = config.GUIFRAME_WIDTH
+ GUIFRAME_HEIGHT = config.GUIFRAME_HEIGHT
+ CONTROL_WIDTH = -1
+ CONTROL_HEIGHT = -1
+ DEFAULT_PERSPECTIVE = None
+ CLEANUP_PLOT = False
+ DEFAULT_OPEN_FOLDER = PATH_APP
+ SAS_OPENCL = None
+DEFAULT_STYLE = config.DEFAULT_STYLE
+
+PLUGIN_STATE_EXTENSIONS = config.PLUGIN_STATE_EXTENSIONS
+OPEN_SAVE_MENU = config.OPEN_SAVE_PROJECT_MENU
+VIEW_MENU = config.VIEW_MENU
+EDIT_MENU = config.EDIT_MENU
+extension_list = []
+if APPLICATION_STATE_EXTENSION is not None:
+ extension_list.append(APPLICATION_STATE_EXTENSION)
+EXTENSIONS = PLUGIN_STATE_EXTENSIONS + extension_list
+try:
+ PLUGINS_WLIST = '|'.join(config.PLUGINS_WLIST)
+except:
+ PLUGINS_WLIST = ''
+APPLICATION_WLIST = config.APPLICATION_WLIST
+IS_WIN = True
+IS_LINUX = False
+CLOSE_SHOW = True
+TIME_FACTOR = 2
+MDI_STYLE = wx.DEFAULT_FRAME_STYLE
+NOT_SO_GRAPH_LIST = ["BoxSum"]
+PARENT_FRAME = wx.MDIParentFrame
+CHILD_FRAME = wx.MDIChildFrame
+if sys.platform.count("win32") < 1:
+ IS_WIN = False
+ TIME_FACTOR = 2
+ if int(str(wx.__version__).split('.')[0]) == 2:
+ if int(str(wx.__version__).split('.')[1]) < 9:
+ CLOSE_SHOW = False
+ if sys.platform.count("darwin") < 1:
+ IS_LINUX = True
+ PARENT_FRAME = wx.Frame
+ CHILD_FRAME = wx.Frame
+
+#Initiliaze enviromental variable with custom setting but only if variable not set
+if SAS_OPENCL and not "SAS_OPENCL" in os.environ:
+ os.environ["SAS_OPENCL"] = SAS_OPENCL
+
+class ViewerFrame(PARENT_FRAME):
+ """
+ Main application frame
+ """
+
+ def __init__(self, parent, title,
+ size=(GUIFRAME_WIDTH, GUIFRAME_HEIGHT),
+ gui_style=DEFAULT_STYLE,
+ style=wx.DEFAULT_FRAME_STYLE,
+ pos=wx.DefaultPosition):
+ """
+ Initialize the Frame object
+ """
+ PARENT_FRAME.__init__(self, parent=parent, title=title,
+ pos=pos, size=size)
+ # title
+ self.title = title
+ self.__gui_style = gui_style
+ path = os.path.dirname(__file__)
+ temp_path = os.path.join(path, 'images')
+ ico_file = os.path.join(temp_path, 'ball.ico')
+ if os.path.isfile(ico_file):
+ self.SetIcon(wx.Icon(ico_file, wx.BITMAP_TYPE_ICO))
+ else:
+ temp_path = os.path.join(os.getcwd(), 'images')
+ ico_file = os.path.join(temp_path, 'ball.ico')
+ if os.path.isfile(ico_file):
+ self.SetIcon(wx.Icon(ico_file, wx.BITMAP_TYPE_ICO))
+ else:
+ ico_file = os.path.join(os.path.dirname(os.path.sys.path[0]),
+ 'images', 'ball.ico')
+ if os.path.isfile(ico_file):
+ self.SetIcon(wx.Icon(ico_file, wx.BITMAP_TYPE_ICO))
+ self.path = PATH_APP
+ self.application_name = APPLICATION_NAME
+ # Application manager
+ self._input_file = None
+ self.app_manager = None
+ self._mgr = None
+ # add current perpsective
+ self._current_perspective = None
+ self._plotting_plugin = None
+ self._data_plugin = None
+ # Menu bar and item
+ self._menubar = None
+ self._file_menu = None
+ self._data_menu = None
+ self._view_menu = None
+ self._data_panel_menu = None
+ self._help_menu = None
+ self._tool_menu = None
+ self._applications_menu_pos = -1
+ self._applications_menu_name = None
+ self._applications_menu = None
+ self._edit_menu = None
+ self._toolbar_menu = None
+ self._save_appl_menu = None
+ # tool bar
+ self._toolbar = None
+ # Status bar
+ self.sb = None
+ # number of plugins
+ self._num_perspectives = 0
+ # plot duck cleanup option
+ self.cleanup_plots = CLEANUP_PLOT
+ # Find plug-ins
+ # Modify this so that we can specify the directory to look into
+ self.plugins = []
+ # add local plugin
+ self.plugins += self._get_local_plugins()
+ self.plugins += self._find_plugins()
+ # List of panels
+ self.panels = {}
+ # List of plot panels
+ self.plot_panels = {}
+ # default Graph number fot the plotpanel caption
+ self.graph_num = 0
+
+ # Default locations
+ self._default_save_location = DEFAULT_OPEN_FOLDER
+ # Welcome panel
+ self.defaultPanel = None
+ self.welcome_panel_class = None
+ # panel on focus
+ self.panel_on_focus = None
+ # control_panel on focus
+ self.cpanel_on_focus = None
+
+ self.loader = Loader()
+ # data manager
+ self.batch_on = False
+ from sas.sasgui.guiframe.data_manager import DataManager
+ self._data_manager = DataManager()
+ self._data_panel = None # DataPanel(parent=self)
+ if self.panel_on_focus is not None:
+ self._data_panel.set_panel_on_focus(
+ self.panel_on_focus.window_caption)
+ # list of plot panels in schedule to full redraw
+ self.schedule = False
+ # self.callback = True
+ self._idle_count = 0
+ self.schedule_full_draw_list = []
+ self.idletimer = wx.CallLater(TIME_FACTOR, self._onDrawIdle)
+
+ self.batch_frame = GridFrame(parent=self)
+ self.batch_frame.Hide()
+ self.on_batch_selection(event=None)
+ self.add_icon()
+
+ # Register the close event so it calls our own method
+ wx.EVT_CLOSE(self, self.WindowClose)
+ # Register to status events
+ self.Bind(EVT_STATUS, self._on_status_event)
+ # Register add extra data on the same panel event on load
+ self.Bind(EVT_PANEL_ON_FOCUS, self.set_panel_on_focus)
+ self.Bind(EVT_APPEND_BOOKMARK, self.append_bookmark)
+ self.Bind(EVT_NEW_LOAD_DATA, self.on_load_data)
+ self.Bind(EVT_NEW_BATCH, self.on_batch_selection)
+ self.Bind(EVT_NEW_COLOR, self.on_color_selection)
+ self.Bind(EVT_CATEGORY, self.on_change_categories)
+ self.setup_custom_conf()
+ # Preferred window size
+ self._window_width, self._window_height = size
+
+ def add_icon(self):
+ """
+ get list of child and attempt to add the default icon
+ """
+
+ list_children = self.GetChildren()
+ for frame in list_children:
+ self.put_icon(frame)
+
+ def put_icon(self, frame):
+ """
+ Put icon on the tap of a panel
+ """
+ if hasattr(frame, "IsIconized"):
+ if not frame.IsIconized():
+ try:
+ icon = self.GetIcon()
+ frame.SetIcon(icon)
+ except:
+ logging.error("ViewerFrame.put_icon: could not set icon")
+
+ def get_client_size(self):
+ """
+ return client size tuple
+ """
+ width, height = self.GetClientSizeTuple()
+ height -= 45
+ # Adjust toolbar height
+ toolbar = self.GetToolBar()
+ if toolbar is not None:
+ _, tb_h = toolbar.GetSizeTuple()
+ height -= tb_h
+ return width, height
+
+ def on_change_categories(self, evt):
+ # ILL
+ fitpanel = None
+ for item in self.plugins:
+ if hasattr(item, "get_panels"):
+ if hasattr(item, "fit_panel"):
+ fitpanel = item.fit_panel
+
+ if fitpanel is not None:
+ for i in range(0, fitpanel.GetPageCount()):
+ fitpanel.GetPage(i)._populate_listbox()
+
+ def on_set_batch_result(self, data_outputs, data_inputs=None,
+ plugin_name=""):
+ """
+ Display data into a grid in batch mode and show the grid
+ """
+ t = time.localtime(time.time())
+ time_str = time.strftime("%b %d %H;%M of %Y", t)
+ details = "File Generated by %s : %s" % (APPLICATION_NAME,
+ str(plugin_name))
+ details += "on %s.\n" % time_str
+ ext = ".csv"
+ file_name = "Batch_" + str(plugin_name) + "_" + time_str + ext
+ file_name = self._default_save_location + str(file_name)
+
+ self.open_with_localapp(file_name=file_name,
+ details=details,
+ data_inputs=data_inputs,
+ data_outputs=data_outputs)
+
+ def open_with_localapp(self, data_inputs=None, details="", file_name=None,
+ data_outputs=None):
+ """
+ Display value of data into the application grid
+ :param data_inputs: dictionary of string and list of items
+ :param details: descriptive string
+ :param file_name: file name
+ :param data_outputs: Data outputs
+ """
+ self.batch_frame.set_data(data_inputs=data_inputs,
+ data_outputs=data_outputs,
+ details=details,
+ file_name=file_name)
+ self.show_batch_frame(None)
+
+ def on_read_batch_tofile(self, base):
+ """
+ Open a file dialog , extract the file to read and display values
+ into a grid
+ """
+ path = None
+ if self._default_save_location is None:
+ self._default_save_location = os.getcwd()
+ wildcard = "(*.csv; *.txt)|*.csv; *.txt"
+ dlg = wx.FileDialog(base,
+ "Choose a file",
+ self._default_save_location, "",
+ wildcard)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ if path is not None:
+ self._default_save_location = os.path.dirname(path)
+ dlg.Destroy()
+ try:
+ self.read_batch_tofile(file_name=path)
+ except:
+ msg = "Error occurred when reading the file; %s\n" % path
+ msg += "%s\n" % sys.exc_value
+ wx.PostEvent(self, StatusEvent(status=msg,
+ info="error"))
+
+ def read_batch_tofile(self, file_name):
+ """
+ Extract value from file name and Display them into a grid
+ """
+ if file_name is None or file_name.strip() == "":
+ return
+ data = {}
+ fd = open(file_name, 'r')
+ _, ext = os.path.splitext(file_name)
+ separator = None
+ if ext.lower() == ".csv":
+ separator = ","
+ fd_buffer = fd.read()
+ lines = fd_buffer.split('\n')
+ fd.close()
+ column_names_line = ""
+ index = None
+ details = ""
+ for index in range(len(lines)):
+ line = lines[index]
+ line.strip()
+ count = 0
+ if separator is None:
+ line.replace('\t', ' ')
+ # found the first line containing the label
+ col_name_toks = line.split()
+ for item in col_name_toks:
+ if item.strip() != "":
+ count += 1
+ else:
+ line = " "
+ elif line.find(separator) != -1:
+ if line.count(separator) >= 2:
+ # found the first line containing the label
+ col_name_toks = line.split(separator)
+ for item in col_name_toks:
+ if item.strip() != "":
+ count += 1
+ else:
+ details += line
+ if count >= 2:
+ column_names_line = line
+ break
+
+ if column_names_line.strip() == "" or index is None:
+ return
+
+ col_name_toks = column_names_line.split(separator)
+ c_index = 0
+ for col_index in range(len(col_name_toks)):
+ c_name = col_name_toks[col_index]
+ if c_name.strip() != "":
+ # distinguish between column name and value
+ try:
+ float(c_name)
+ col_name = "Column %s" % str(col_index + 1)
+ index_min = index
+ except:
+ col_name = c_name
+ index_min = index + 1
+ data[col_name] = [lines[row].split(separator)[c_index]
+ for row in range(index_min, len(lines) - 1)]
+ c_index += 1
+
+ self.open_with_localapp(data_outputs=data, data_inputs=None,
+ file_name=file_name, details=details)
+
+ def write_batch_tofile(self, data, file_name, details=""):
+ """
+ Helper to write result from batch into cvs file
+ """
+ self._default_save_location = os.path.dirname(file_name)
+ name = os.path.basename(file_name)
+ if data is None or file_name is None or file_name.strip() == "":
+ return
+ _, ext = os.path.splitext(name)
+ try:
+ fd = open(file_name, 'w')
+ except:
+ # On Permission denied: IOError
+ temp_dir = get_user_directory()
+ temp_file_name = os.path.join(temp_dir, name)
+ fd = open(temp_file_name, 'w')
+ separator = "\t"
+ if ext.lower() == ".csv":
+ separator = ","
+ fd.write(str(details))
+ for col_name in data.keys():
+ fd.write(str(col_name))
+ fd.write(separator)
+ fd.write('\n')
+ max_list = [len(value) for value in data.values()]
+ if len(max_list) == 0:
+ return
+ max_index = max(max_list)
+ index = 0
+ while index < max_index:
+ for value_list in data.values():
+ if index < len(value_list):
+ fd.write(str(value_list[index]))
+ fd.write(separator)
+ else:
+ fd.write('')
+ fd.write(separator)
+ fd.write('\n')
+ index += 1
+ fd.close()
+
+ def open_with_externalapp(self, data, file_name, details=""):
+ """
+ Display data in the another application , by default Excel
+ """
+ if not os.path.exists(file_name):
+ self.write_batch_tofile(data=data, file_name=file_name,
+ details=details)
+ try:
+ from win32com.client import Dispatch
+ excel_app = Dispatch('Excel.Application')
+ excel_app.Workbooks.Open(file_name)
+ excel_app.Visible = 1
+ except:
+ msg = "Error occured when calling Excel.\n"
+ msg += "Check that Excel installed in this machine or \n"
+ msg += "check that %s really exists.\n" % str(file_name)
+ wx.PostEvent(self, StatusEvent(status=msg,
+ info="error"))
+
+ def on_batch_selection(self, event=None):
+ """
+ :param event: contains parameter enable. When enable is set to True
+ the application is in Batch mode otherwise the application is
+ in Single mode.
+ """
+ if event is not None:
+ self.batch_on = event.enable
+ for plug in self.plugins:
+ plug.set_batch_selection(self.batch_on)
+
+ def on_color_selection(self, event):
+ """
+ :param event: contains parameters for id and color
+ """
+ color, event_id = event.color, event.id
+ for plug in self.plugins:
+ plug.add_color(color, event_id)
+
+ def setup_custom_conf(self):
+ """
+ Set up custom configuration if exists
+ """
+ if custom_config is None:
+ return
+
+ if not FIXED_PANEL:
+ self.__gui_style &= (~GUIFRAME.FIXED_PANEL)
+ self.__gui_style |= GUIFRAME.FLOATING_PANEL
+
+ if not DATALOADER_SHOW:
+ self.__gui_style &= (~GUIFRAME.MANAGER_ON)
+
+ if not TOOLBAR_SHOW:
+ self.__gui_style &= (~GUIFRAME.TOOLBAR_ON)
+
+ if WELCOME_PANEL_SHOW:
+ self.__gui_style |= GUIFRAME.WELCOME_PANEL_ON
+
+ def set_custom_default_perspective(self):
+ """
+ Set default starting perspective
+ """
+ if custom_config is None:
+ return
+ for plugin in self.plugins:
+ try:
+ if plugin.sub_menu == DEFAULT_PERSPECTIVE:
+
+ plugin.on_perspective(event=None)
+ frame = plugin.get_frame()
+ frame.Show(True)
+ # break
+ else:
+ frame = plugin.get_frame()
+ frame.Show(False)
+ except:
+ pass
+ return
+
+ def on_load_data(self, event):
+ """
+ received an event to trigger load from data plugin
+ """
+ if self._data_plugin is not None:
+ self._data_plugin.load_data(event)
+
+ def get_current_perspective(self):
+ """
+ return the current perspective
+ """
+ return self._current_perspective
+
+ def get_save_location(self):
+ """
+ return the _default_save_location
+ """
+ return self._default_save_location
+
+ def set_input_file(self, input_file):
+ """
+ :param input_file: file to read
+ """
+ self._input_file = input_file
+
+ def get_data_manager(self):
+ """
+ return the data manager.
+ """
+ return self._data_manager
+
+ def get_toolbar(self):
+ """
+ return the toolbar.
+ """
+ return self._toolbar
+
+ def set_panel_on_focus(self, event):
+ """
+ Store reference to the last panel on focus
+ update the toolbar if available
+ update edit menu if available
+ """
+ if event is not None:
+ self.panel_on_focus = event.panel
+ if self.panel_on_focus is not None:
+ # Disable save application if the current panel is in batch mode
+ try:
+ flag = self.panel_on_focus.get_save_flag()
+ if self._save_appl_menu is not None:
+ self._save_appl_menu.Enable(flag)
+
+ if self.panel_on_focus not in self.plot_panels.values():
+ for ID in self.panels.keys():
+ if self.panel_on_focus != self.panels[ID]:
+ self.panels[ID].on_kill_focus(None)
+
+ if self._data_panel is not None and \
+ self.panel_on_focus is not None:
+ self.set_panel_on_focus_helper()
+ # update toolbar
+ self._update_toolbar_helper()
+ # update edit menu
+ self.enable_edit_menu()
+ except wx._core.PyDeadObjectError:
+ pass
+
+ def disable_app_menu(self, p_panel=None):
+ """
+ Disables all menus in the menubar
+ """
+ return
+
+ def send_focus_to_datapanel(self, name):
+ """
+ Send focusing on ID to data explorer
+ """
+ if self._data_panel is not None:
+ self._data_panel.set_panel_on_focus(name)
+
+ def set_panel_on_focus_helper(self):
+ """
+ Helper for panel on focus with data_panel
+ """
+ caption = self.panel_on_focus.window_caption
+ self.send_focus_to_datapanel(caption)
+ # update combo
+ if self.panel_on_focus in self.plot_panels.values():
+ combo = self._data_panel.cb_plotpanel
+ combo_title = str(self.panel_on_focus.window_caption)
+ combo.SetStringSelection(combo_title)
+ combo.SetToolTip(wx.ToolTip(combo_title))
+ elif self.panel_on_focus != self._data_panel:
+ cpanel = self.panel_on_focus
+ if self.cpanel_on_focus != cpanel:
+ cpanel.on_tap_focus()
+ self.cpanel_on_focus = self.panel_on_focus
+
+ def reset_bookmark_menu(self, panel):
+ """
+ Reset Bookmark menu list
+
+ : param panel: a control panel or tap where the bookmark is
+ """
+ cpanel = panel
+ if self._toolbar is not None and cpanel._bookmark_flag:
+ for item in self._toolbar.get_bookmark_items():
+ self._toolbar.remove_bookmark_item(item)
+ self._toolbar.add_bookmark_default()
+ pos = 0
+ for bitem in cpanel.popUpMenu.GetMenuItems():
+ pos += 1
+ if pos < 3:
+ continue
+ id = bitem.GetId()
+ label = bitem.GetLabel()
+ self._toolbar.append_bookmark_item(id, label)
+ wx.EVT_MENU(self, id, cpanel._back_to_bookmark)
+ self._toolbar.Realize()
+
+ def build_gui(self):
+ """
+ Build the GUI by setting up the toolbar, menu and layout.
+ """
+ # set tool bar
+ self._setup_tool_bar()
+
+ # Create the menu bar. To be filled later.
+ # WX 3.0 needs us to create the menu bar first.
+ self._menubar = wx.MenuBar()
+ if wx.VERSION_STRING >= '3.0.0.0':
+ self.SetMenuBar(self._menubar)
+ self._add_menu_file()
+ self._add_menu_edit()
+ self._add_menu_view()
+ self._add_menu_tool()
+ # Set up the layout
+ self._setup_layout()
+ self._add_menu_application()
+
+ # Set up the menu
+ self._add_current_plugin_menu()
+ self._add_help_menu()
+ # Append item from plugin under menu file if necessary
+ self._populate_file_menu()
+
+ if not wx.VERSION_STRING >= '3.0.0.0':
+ self.SetMenuBar(self._menubar)
+
+ try:
+ self.load_from_cmd(self._input_file)
+ except:
+ msg = "%s Cannot load file %s\n" % (str(APPLICATION_NAME),
+ str(self._input_file))
+ msg += str(sys.exc_value) + '\n'
+ logging.error(msg)
+ if self._data_panel is not None and len(self.plugins) > 0:
+ self._data_panel.fill_cbox_analysis(self.plugins)
+ self.post_init()
+ # Set Custom default
+ self.set_custom_default_perspective()
+ # Set up extra custom tool menu
+ self._setup_extra_custom()
+ self._check_update(None)
+
+ def _setup_extra_custom(self):
+ """
+ Set up toolbar and welcome view if needed
+ """
+ style = self.__gui_style & GUIFRAME.TOOLBAR_ON
+ if (style == GUIFRAME.TOOLBAR_ON) & (not self._toolbar.IsShown()):
+ self._on_toggle_toolbar()
+
+ # Set Custom deafult start page
+ welcome_style = self.__gui_style & GUIFRAME.WELCOME_PANEL_ON
+ if welcome_style == GUIFRAME.WELCOME_PANEL_ON:
+ self.show_welcome_panel(None)
+
+ def _setup_layout(self):
+ """
+ Set up the layout
+ """
+ # Status bar
+ from sas.sasgui.guiframe.gui_statusbar import StatusBar
+ self.sb = StatusBar(self, wx.ID_ANY)
+ self.SetStatusBar(self.sb)
+ # Load panels
+ self._load_panels()
+
+ def SetStatusText(self, *args, **kwds):
+ """
+ """
+ number = self.sb.get_msg_position()
+ wx.Frame.SetStatusText(self, number=number, *args, **kwds)
+
+ def PopStatusText(self, *args, **kwds):
+ """
+ """
+ field = self.sb.get_msg_position()
+ wx.Frame.PopStatusText(self, field=field)
+
+ def PushStatusText(self, *args, **kwds):
+ """
+ .. todo:: No message is passed. What is this supposed to do?
+ """
+ field = self.sb.get_msg_position()
+ wx.Frame.PushStatusText(self, field=field,
+ string=
+ "FIXME - PushStatusText called without text")
+
+ def add_perspective(self, plugin):
+ """
+ Add a perspective if it doesn't already
+ exist.
+ """
+ self._num_perspectives += 1
+ is_loaded = False
+ for item in self.plugins:
+ item.set_batch_selection(self.batch_on)
+ if plugin.__class__ == item.__class__:
+ msg = "Plugin %s already loaded" % plugin.sub_menu
+ logging.info(msg)
+ is_loaded = True
+ if not is_loaded:
+ self.plugins.append(plugin)
+ msg = "Plugin %s appended" % plugin.sub_menu
+ logging.info(msg)
+
+ def _get_local_plugins(self):
+ """
+ get plugins local to guiframe and others
+ """
+ plugins = []
+ # import guiframe local plugins
+ # check if the style contain guiframe.dataloader
+ style1 = self.__gui_style & GUIFRAME.DATALOADER_ON
+ style2 = self.__gui_style & GUIFRAME.PLOTTING_ON
+ if style1 == GUIFRAME.DATALOADER_ON:
+ try:
+ from sas.sasgui.guiframe.local_perspectives.data_loader \
+ import data_loader
+ self._data_plugin = data_loader.Plugin()
+ plugins.append(self._data_plugin)
+ except:
+ msg = "ViewerFrame._get_local_plugins:"
+ msg += "cannot import dataloader plugin.\n %s" % sys.exc_value
+ logging.error(msg)
+ if style2 == GUIFRAME.PLOTTING_ON:
+ try:
+ from sas.sasgui.guiframe.local_perspectives.plotting \
+ import plotting
+ self._plotting_plugin = plotting.Plugin()
+ plugins.append(self._plotting_plugin)
+ except:
+ msg = "ViewerFrame._get_local_plugins:"
+ msg += "cannot import plotting plugin.\n %s" % sys.exc_value
+ logging.error(msg)
+
+ return plugins
+
+ def _find_plugins(self, dir="perspectives"):
+ """
+ Find available perspective plug-ins
+
+ :param dir: directory in which to look for plug-ins
+
+ :returns: list of plug-ins
+
+ """
+ plugins = []
+ # Go through files in panels directory
+ try:
+ if os.path.isdir(dir):
+ file_list = os.listdir(dir)
+ else:
+ file_list = []
+ # the default panel is the panel is the last plugin added
+ for item in file_list:
+ toks = os.path.splitext(os.path.basename(item))
+ name = ''
+ if not toks[0] == '__init__':
+ if toks[1] == '.py' or toks[1] == '':
+ name = toks[0]
+ # check the validity of the module name parsed
+ # before trying to import it
+ if name is None or name.strip() == '':
+ continue
+ path = [os.path.abspath(dir)]
+ file = None
+ try:
+ if toks[1] == '':
+ mod_path = '.'.join([dir, name])
+ module = __import__(mod_path, globals(),
+ locals(), [name])
+ else:
+ (file, path, info) = imp.find_module(name, path)
+ module = imp.load_module(name, file, item, info)
+ if hasattr(module, "PLUGIN_ID"):
+ try:
+ plugins.append(module.Plugin())
+ msg = "Found plug-in: %s" % module.PLUGIN_ID
+ logging.info(msg)
+ except:
+ msg = "Error accessing PluginPanel"
+ msg += " in %s\n %s" % (name, sys.exc_value)
+ config.printEVT(msg)
+ except:
+ msg = "ViewerFrame._find_plugins: %s" % sys.exc_value
+ logging.error(msg)
+ finally:
+ if file is not None:
+ file.close()
+ except:
+ # Should raise and catch at a higher level and
+ # display error on status bar
+ logging.error(sys.exc_value)
+
+ return plugins
+
+ def _get_panels_size(self, p):
+ """
+ find the proper size of the current panel
+ get the proper panel width and height
+ """
+ self._window_width, self._window_height = self.get_client_size()
+ # Default size
+ if DATAPANEL_WIDTH < 0:
+ panel_width = int(self._window_width * 0.25)
+ else:
+ panel_width = DATAPANEL_WIDTH
+ panel_height = int(self._window_height)
+ if self._data_panel is not None and (p == self._data_panel):
+ return panel_width, panel_height
+ if hasattr(p, "CENTER_PANE") and p.CENTER_PANE:
+ panel_width = self._window_width * 0.45
+ if CONTROL_WIDTH > 0:
+ panel_width = CONTROL_WIDTH
+ if CONTROL_HEIGHT > 0:
+ panel_height = CONTROL_HEIGHT
+ return panel_width, panel_height
+ elif p == self.defaultPanel:
+ return self._window_width, panel_height
+ return panel_width, panel_height
+
+ def _load_panels(self):
+ """
+ Load all panels in the panels directory
+ """
+ # Look for plug-in panels
+ panels = []
+ if wx.VERSION_STRING >= '3.0.0.0':
+ mac_pos_y = 85
+ else:
+ mac_pos_y = 40
+ for item in self.plugins:
+ if hasattr(item, "get_panels"):
+ ps = item.get_panels(self)
+ panels.extend(ps)
+
+ # Set up welcome panel
+ # TODO: this needs serious simplification
+ if self.welcome_panel_class is not None:
+ welcome_panel = MDIFrame(self, None, 'None', (100, 200))
+ self.defaultPanel = self.welcome_panel_class(welcome_panel, -1,
+ style=wx.RAISED_BORDER)
+ welcome_panel.set_panel(self.defaultPanel)
+ self.defaultPanel.set_frame(welcome_panel)
+ welcome_panel.Show(False)
+
+ self.panels["default"] = self.defaultPanel
+ size_t_bar = 70
+ if IS_LINUX:
+ size_t_bar = 115
+ if self.defaultPanel is not None:
+ w, h = self._get_panels_size(self.defaultPanel)
+ frame = self.defaultPanel.get_frame()
+ frame.SetSize((self._window_width, self._window_height))
+ if not IS_WIN:
+ frame.SetPosition((0, mac_pos_y + size_t_bar))
+ frame.Show(True)
+ # add data panel
+ win = MDIFrame(self, None, 'None', (100, 200))
+ data_panel = DataPanel(parent=win, id=-1)
+ win.set_panel(data_panel)
+ self.panels["data_panel"] = data_panel
+ self._data_panel = data_panel
+ d_panel_width, h = self._get_panels_size(self._data_panel)
+ win.SetSize((d_panel_width, h))
+ is_visible = self.__gui_style & \
+ GUIFRAME.MANAGER_ON == GUIFRAME.MANAGER_ON
+ if IS_WIN:
+ win.SetPosition((0, 0))
+ else:
+ win.SetPosition((0, mac_pos_y + size_t_bar))
+ win.Show(is_visible)
+ # Add the panels to the AUI manager
+ for panel_class in panels:
+ frame = panel_class.get_frame()
+ wx_id = wx.NewId()
+ # Check whether we need to put this panel in the center pane
+ if hasattr(panel_class, "CENTER_PANE") and panel_class.CENTER_PANE:
+ w, h = self._get_panels_size(panel_class)
+ if panel_class.CENTER_PANE:
+ self.panels[str(wx_id)] = panel_class
+ _, pos_y = frame.GetPositionTuple()
+ frame.SetPosition((d_panel_width + 1, pos_y))
+ frame.SetSize((w, h))
+ frame.Show(False)
+ elif panel_class == self._data_panel:
+ panel_class.frame.Show(is_visible)
+ continue
+ else:
+ self.panels[str(wx_id)] = panel_class
+ frame.SetSize((w, h))
+ frame.Show(False)
+ if IS_WIN:
+ frame.SetPosition((d_panel_width + 1, 0))
+ else:
+ frame.SetPosition((d_panel_width + 1, mac_pos_y + size_t_bar))
+
+ if not IS_WIN:
+ win_height = mac_pos_y
+ if IS_LINUX:
+ if wx.VERSION_STRING >= '3.0.0.0':
+ win_height = mac_pos_y + 10
+ else:
+ win_height = mac_pos_y + 55
+ self.SetMaxSize((-1, win_height))
+ else:
+ self.SetSize((self._window_width, win_height))
+
+ def update_data(self, prev_data, new_data):
+ """
+ Update the data.
+ """
+ prev_id, data_state = self._data_manager.update_data(
+ prev_data=prev_data, new_data=new_data)
+
+ self._data_panel.remove_by_id(prev_id)
+ self._data_panel.load_data_list(data_state)
+
+ def update_theory(self, data_id, theory, state=None):
+ """
+ Update the theory
+ """
+ data_state = self._data_manager.update_theory(data_id=data_id,
+ theory=theory,
+ state=state)
+ wx.CallAfter(self._data_panel.load_data_list, data_state)
+
+ def onfreeze(self, theory_id):
+ """
+ Saves theory/model and passes to data loader.
+
+ ..warning:: This seems to be the exact same code as the next
+ function called simply freeze. This probably needs fixing
+ """
+ data_state_list = self._data_manager.freeze(theory_id)
+ self._data_panel.load_data_list(list=data_state_list)
+ for data_state in data_state_list.values():
+ new_plot = data_state.get_data()
+
+ wx.PostEvent(self, NewPlotEvent(plot=new_plot,
+ title=new_plot.title))
+
+ def freeze(self, data_id, theory_id):
+ """
+ Saves theory/model and passes to data loader.
+
+ ..warning:: This seems to be the exact same code as the next
+ function called simply freeze. This probably needs fixing
+ """
+ data_state_list = self._data_manager.freeze_theory(data_id=data_id,
+ theory_id=theory_id)
+ self._data_panel.load_data_list(list=data_state_list)
+ for data_state in data_state_list.values():
+ new_plot = data_state.get_data()
+ wx.PostEvent(self, NewPlotEvent(plot=new_plot,
+ title=new_plot.title))
+
+ def delete_data(self, data):
+ """
+ Delete the data.
+ """
+ self._current_perspective.delete_data(data)
+
+ def get_context_menu(self, plotpanel=None):
+ """
+ Get the context menu items made available
+ by the different plug-ins.
+ This function is used by the plotting module
+ """
+ if plotpanel is None:
+ return
+ menu_list = []
+ for item in self.plugins:
+ menu_list.extend(item.get_context_menu(plotpanel=plotpanel))
+ return menu_list
+
+ def get_current_context_menu(self, plotpanel=None):
+ """
+ Get the context menu items made available
+ by the current plug-in.
+ This function is used by the plotting module
+ """
+ if plotpanel is None:
+ return
+ menu_list = []
+ item = self._current_perspective
+ if item is not None:
+ menu_list.extend(item.get_context_menu(plotpanel=plotpanel))
+ return menu_list
+
+ def on_panel_close(self, event):
+ """
+ Gets called when the close event for a panel runs.
+ This will check which panel has been closed and
+ delete it.
+ """
+ frame = event.GetEventObject()
+ for ID in self.plot_panels.keys():
+ if self.plot_panels[ID].window_name == frame.name:
+ self.disable_app_menu(self.plot_panels[ID])
+ self.delete_panel(ID)
+ break
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.SetFocus()
+
+ def popup_panel(self, p):
+ """
+ Add a panel object to the AUI manager
+
+ :param p: panel object to add to the AUI manager
+
+ :returns: ID of the event associated with the new panel [int]
+
+ """
+ ID = wx.NewId()
+ self.panels[str(ID)] = p
+ # Check and set the size
+ if PLOPANEL_WIDTH < 0:
+ p_panel_width = int(self._window_width * 0.45)
+ else:
+ p_panel_width = PLOPANEL_WIDTH
+ p_panel_height = int(p_panel_width * 0.76)
+ p.frame.SetSize((p_panel_width, p_panel_height))
+ self.graph_num += 1
+ if p.window_caption.split()[0] in NOT_SO_GRAPH_LIST:
+ windowcaption = p.window_caption
+ else:
+ windowcaption = 'Graph'
+ windowname = p.window_name
+
+ # Append nummber
+ captions = self._get_plotpanel_captions()
+ # FIXME: Fix this awful loop
+ while (1):
+ caption = windowcaption + '%s' % str(self.graph_num)
+ if caption not in captions:
+ break
+ self.graph_num += 1
+ # protection from forever-loop: max num = 1000
+ if self.graph_num > 1000:
+ break
+ if p.window_caption.split()[0] not in NOT_SO_GRAPH_LIST:
+ p.window_caption = caption
+ p.window_name = windowname + str(self.graph_num)
+
+ p.frame.SetTitle(p.window_caption)
+ p.frame.name = p.window_name
+ if not IS_WIN:
+ p.frame.Center()
+ x_pos, _ = p.frame.GetPositionTuple()
+ p.frame.SetPosition((x_pos, 112))
+ p.frame.Show(True)
+
+ # Register for showing/hiding the panel
+ wx.EVT_MENU(self, ID, self.on_view)
+ if p not in self.plot_panels.values() and p.group_id is not None:
+ self.plot_panels[ID] = p
+ if len(self.plot_panels) == 1:
+ self.panel_on_focus = p
+ self.set_panel_on_focus(None)
+ if self._data_panel is not None and \
+ self._plotting_plugin is not None:
+ ind = self._data_panel.cb_plotpanel.FindString('None')
+ if ind != wx.NOT_FOUND:
+ self._data_panel.cb_plotpanel.Delete(ind)
+ if caption not in self._data_panel.cb_plotpanel.GetItems():
+ self._data_panel.cb_plotpanel.Append(str(caption), p)
+ return ID
+
+ def _get_plotpanel_captions(self):
+ """
+ Get all the plotpanel cations
+
+ : return: list of captions
+ """
+ captions = []
+ for Id in self.plot_panels.keys():
+ captions.append(self.plot_panels[Id].window_caption)
+
+ return captions
+
+ def _setup_tool_bar(self):
+ """
+ add toolbar to the frame
+ """
+ self._toolbar = GUIToolBar(self)
+ # The legacy code doesn't work well for wx 3.0
+ # but the old code produces better results with wx 2.8
+ if not IS_WIN and wx.VERSION_STRING >= '3.0.0.0':
+ sizer = wx.BoxSizer(wx.VERTICAL)
+ sizer.Add(self._toolbar, 0, wx.EXPAND)
+ self.SetSizer(sizer)
+ else:
+ self.SetToolBar(self._toolbar)
+ self._update_toolbar_helper()
+ self._on_toggle_toolbar(event=None)
+
+ def _update_toolbar_helper(self):
+ """
+ Helping to update the toolbar
+ """
+ application_name = 'No Selected Analysis'
+ panel_name = 'No Panel on Focus'
+ c_panel = self.cpanel_on_focus
+ if self._toolbar is None:
+ return
+ if c_panel is not None:
+ self.reset_bookmark_menu(self.cpanel_on_focus)
+ if self._current_perspective is not None:
+ application_name = self._current_perspective.sub_menu
+ c_panel_state = c_panel
+ if c_panel is not None:
+ panel_name = c_panel.window_caption
+ if not c_panel.IsShownOnScreen():
+ c_panel_state = None
+ self._toolbar.update_toolbar(c_panel_state)
+ self._toolbar.update_button(application_name=application_name,
+ panel_name=panel_name)
+ self._toolbar.Realize()
+
+ def _add_menu_tool(self):
+ """
+ Tools menu
+ Go through plug-ins and find tools to populate the tools menu
+ """
+ style = self.__gui_style & GUIFRAME.CALCULATOR_ON
+ if style == GUIFRAME.CALCULATOR_ON:
+ self._tool_menu = None
+ for item in self.plugins:
+ if hasattr(item, "get_tools"):
+ for tool in item.get_tools():
+ # Only create a menu if we have at least one tool
+ if self._tool_menu is None:
+ self._tool_menu = wx.Menu()
+ if tool[0].lower().count('python') > 0:
+ self._tool_menu.AppendSeparator()
+ id = wx.NewId()
+ self._tool_menu.Append(id, tool[0], tool[1])
+ wx.EVT_MENU(self, id, tool[2])
+ if self._tool_menu is not None:
+ self._menubar.Append(self._tool_menu, '&Tools')
+
+ def _add_current_plugin_menu(self):
+ """
+ add current plugin menu
+ Look for plug-in menus
+ Add available plug-in sub-menus.
+ """
+ if self._menubar is None or self._current_perspective is None \
+ or self._menubar.GetMenuCount() == 0:
+ return
+ # replace or add a new menu for the current plugin
+ pos = self._menubar.FindMenu(str(self._applications_menu_name))
+ if pos == -1 and self._applications_menu_pos > 0:
+ pos = self._applications_menu_pos
+ if pos != -1:
+ menu_list = self._current_perspective.populate_menu(self)
+ if menu_list:
+ for (menu, name) in menu_list:
+ self._menubar.Replace(pos, menu, name)
+ self._applications_menu_name = name
+ self._applications_menu_pos = pos
+ else:
+ self._menubar.Remove(pos)
+ self._applications_menu_name = None
+ self._applications_menu_pos = -1
+ else:
+ menu_list = self._current_perspective.populate_menu(self)
+ if menu_list:
+ for (menu, name) in menu_list:
+ if self._applications_menu_pos == -1:
+ # Find the Analysis position and insert just after it
+ analysis_pos = self._menubar.FindMenu("Analysis")
+ if analysis_pos == -1:
+ self._menubar.Append(menu, name)
+ self._applications_menu_pos = -1
+ else:
+ self._menubar.Insert(analysis_pos+1, menu, name)
+ self._applications_menu_pos = analysis_pos + 1
+ else:
+ self._menubar.Insert(self._applications_menu_pos,
+ menu, name)
+ self._applications_menu_name = name
+
+ def _on_marketplace_click(self, event):
+ """
+ Click event for the help menu item linking to the Marketplace.
+ """
+ import webbrowser
+ webbrowser.open_new(config.marketplace_url)
+
+ def _add_help_menu(self):
+ """
+ add help menu to menu bar. Includes welcome page, about page,
+ tutorial PDF and documentation pages.
+ """
+ self._help_menu = wx.Menu()
+
+ wx_id = wx.NewId()
+ self._help_menu.Append(wx_id, '&Documentation', '')
+ wx.EVT_MENU(self, wx_id, self._onSphinxDocs)
+
+ if config._do_tutorial and (IS_WIN or sys.platform == 'darwin'):
+ wx_id = wx.NewId()
+ self._help_menu.Append(wx_id, '&Tutorial', 'Software tutorial')
+ wx.EVT_MENU(self, wx_id, self._onTutorial)
+
+ if config._do_acknowledge:
+ wx_id = wx.NewId()
+ self._help_menu.Append(wx_id, '&Acknowledge',
+ 'Acknowledging SasView')
+ wx.EVT_MENU(self, wx_id, self._onAcknowledge)
+
+ if config._do_aboutbox:
+ logging.info("Doing help menu")
+ wx_id = wx.NewId()
+ self._help_menu.Append(wx_id, '&About', 'Software information')
+ wx.EVT_MENU(self, wx_id, self._onAbout)
+
+ if config.marketplace_url:
+ wx_id = wx.NewId()
+ self._help_menu.Append(wx_id, '&Model marketplace', '')
+ wx.EVT_MENU(self, wx_id, self._on_marketplace_click)
+
+ # Checking for updates
+ wx_id = wx.NewId()
+ self._help_menu.Append(wx_id, '&Check for update',
+ 'Check for the latest version of %s' %
+ config.__appname__)
+ wx.EVT_MENU(self, wx_id, self._check_update)
+ self._menubar.Append(self._help_menu, '&Help')
+
+ def _add_menu_view(self):
+ """
+ add menu items under view menu
+ """
+ if not VIEW_MENU:
+ return
+ self._view_menu = wx.Menu()
+
+ wx_id = wx.NewId()
+ hint = "Display the Grid Window for batch results etc."
+ self._view_menu.Append(wx_id, '&Show Grid Window', hint)
+ wx.EVT_MENU(self, wx_id, self.show_batch_frame)
+
+ self._view_menu.AppendSeparator()
+ style = self.__gui_style & GUIFRAME.MANAGER_ON
+ wx_id = wx.NewId()
+ self._data_panel_menu = self._view_menu.Append(wx_id,
+ '&Show Data Explorer',
+ '')
+ wx.EVT_MENU(self, wx_id, self.show_data_panel)
+ if style == GUIFRAME.MANAGER_ON:
+ self._data_panel_menu.SetText('Hide Data Explorer')
+ else:
+ self._data_panel_menu.SetText('Show Data Explorer')
+
+ self._view_menu.AppendSeparator()
+ wx_id = wx.NewId()
+ style1 = self.__gui_style & GUIFRAME.TOOLBAR_ON
+ if style1 == GUIFRAME.TOOLBAR_ON:
+ self._toolbar_menu = self._view_menu.Append(wx_id, '&Hide Toolbar',
+ '')
+ else:
+ self._toolbar_menu = self._view_menu.Append(wx_id, '&Show Toolbar',
+ '')
+ wx.EVT_MENU(self, wx_id, self._on_toggle_toolbar)
+
+ if custom_config is not None:
+ self._view_menu.AppendSeparator()
+ wx_id = wx.NewId()
+ hint_ss = "Select the current/default configuration "
+ hint_ss += "as a startup setting"
+ preference_menu = self._view_menu.Append(wx_id, 'Startup Setting',
+ hint_ss)
+ wx.EVT_MENU(self, wx_id, self._on_preference_menu)
+
+ wx_id = wx.NewId()
+ self._view_menu.AppendSeparator()
+ self._view_menu.Append(wx_id, 'Category Manager',
+ 'Edit model categories')
+ wx.EVT_MENU(self, wx_id, self._on_category_manager)
+
+ self._menubar.Append(self._view_menu, '&View')
+
+ def show_batch_frame(self, event=None):
+ """
+ show the grid of result
+ """
+ # Show(False) before Show(True) in order to bring it to the front
+ self.batch_frame.Show(False)
+ self.batch_frame.Show(True)
+
+ def on_category_panel(self, event):
+ """
+ On cat panel
+ """
+ self._on_category_manager(event)
+
+ def _on_category_manager(self, event):
+ """
+ Category manager frame
+ """
+ frame = CategoryManager(self, -1, 'Model Category Manager')
+ icon = self.GetIcon()
+ frame.SetIcon(icon)
+
+ def _on_preference_menu(self, event):
+ """
+ Build a panel to allow to edit Mask
+ """
+ from sas.sasgui.guiframe.startup_configuration \
+ import StartupConfiguration as ConfDialog
+
+ dialog = ConfDialog(parent=self, gui=self.__gui_style)
+ result = dialog.ShowModal()
+ if result == wx.ID_OK:
+ dialog.write_custom_config()
+ # post event for info
+ wx.PostEvent(self, StatusEvent(status="Wrote custom configuration",
+ info='info'))
+ dialog.Destroy()
+
+ def _add_menu_application(self):
+ """
+ # Attach a menu item for each defined perspective or application.
+ # Only add the perspective menu if there are more than one perspectives
+ add menu application
+ """
+ if self._num_perspectives > 1:
+ plug_data_count = False
+ plug_no_data_count = False
+ self._applications_menu = wx.Menu()
+ pos = 0
+ separator = self._applications_menu.AppendSeparator()
+ for plug in self.plugins:
+ if len(plug.get_perspective()) > 0:
+ id = wx.NewId()
+ if plug.use_data():
+ self._applications_menu.InsertCheckItem(pos, id,
+ plug.sub_menu,
+ "Switch to analysis: %s" % plug.sub_menu)
+ plug_data_count = True
+ pos += 1
+ else:
+ plug_no_data_count = True
+ self._applications_menu.AppendCheckItem(id,
+ plug.sub_menu,
+ "Switch to analysis: %s" % plug.sub_menu)
+ wx.EVT_MENU(self, id, plug.on_perspective)
+
+ if not plug_data_count or not plug_no_data_count:
+ self._applications_menu.RemoveItem(separator)
+ # Windows introduces a "Window" menu item during the layout process
+ # somehow. We want it to be next to the last item with Help as
+ # last. However Analysis gets stuck after Window in normal ordering
+ # so force it to be next after the Tools menu item. Should we add
+ # another menu item will need to check if this is still where we
+ # want Analysis. This is NOT an issue on the Mac which does not
+ # have the extra Window menu item.
+ # March 2016 Code Camp -- PDB
+ Tools_pos = self._menubar.FindMenu("Tools")
+ self._menubar.Insert(Tools_pos+1, self._applications_menu,
+ '&Analysis')
+ self._check_applications_menu()
+
+ def _populate_file_menu(self):
+ """
+ Insert menu item under file menu
+ """
+ for plugin in self.plugins:
+ if len(plugin.populate_file_menu()) > 0:
+ for item in plugin.populate_file_menu():
+ m_name, m_hint, m_handler = item
+ wx_id = wx.NewId()
+ self._file_menu.Append(wx_id, m_name, m_hint)
+ wx.EVT_MENU(self, wx_id, m_handler)
+ self._file_menu.AppendSeparator()
+
+ style1 = self.__gui_style & GUIFRAME.MULTIPLE_APPLICATIONS
+ if OPEN_SAVE_MENU:
+ wx_id = wx.NewId()
+ hint_load_file = "read all analysis states saved previously"
+ self._save_appl_menu = self._file_menu.Append(wx_id,
+ '&Open Project',
+ hint_load_file)
+ wx.EVT_MENU(self, wx_id, self._on_open_state_project)
+
+ if style1 == GUIFRAME.MULTIPLE_APPLICATIONS:
+ # some menu of plugin to be seen under file menu
+ hint_load_file = "Read a status files and load"
+ hint_load_file += " them into the analysis"
+ wx_id = wx.NewId()
+ self._save_appl_menu = self._file_menu.Append(wx_id,
+ '&Open Analysis',
+ hint_load_file)
+ wx.EVT_MENU(self, wx_id, self._on_open_state_application)
+ if OPEN_SAVE_MENU:
+ self._file_menu.AppendSeparator()
+ wx_id = wx.NewId()
+ self._file_menu.Append(wx_id, '&Save Project',
+ 'Save the state of the whole analysis')
+ wx.EVT_MENU(self, wx_id, self._on_save_project)
+ if style1 == GUIFRAME.MULTIPLE_APPLICATIONS:
+ wx_id = wx.NewId()
+ txt = '&Save Analysis'
+ txt2 = 'Save state of the current active analysis panel'
+ self._save_appl_menu = self._file_menu.Append(wx_id, txt, txt2)
+ wx.EVT_MENU(self, wx_id, self._on_save_application)
+ if not sys.platform == 'darwin':
+ self._file_menu.AppendSeparator()
+ wx_id = wx.NewId()
+ self._file_menu.Append(wx_id, '&Quit', 'Exit')
+ wx.EVT_MENU(self, wx_id, self.Close)
+
+ def _add_menu_file(self):
+ """
+ add menu file
+ """
+ # File menu
+ self._file_menu = wx.Menu()
+ # Add sub menus
+ self._menubar.Append(self._file_menu, '&File')
+
+ def _add_menu_edit(self):
+ """
+ add menu edit
+ """
+ if not EDIT_MENU:
+ return
+ # Edit Menu
+ self._edit_menu = wx.Menu()
+ self._edit_menu.Append(GUIFRAME_ID.UNDO_ID, '&Undo',
+ 'Undo the previous action')
+ wx.EVT_MENU(self, GUIFRAME_ID.UNDO_ID, self.on_undo_panel)
+ self._edit_menu.Append(GUIFRAME_ID.REDO_ID, '&Redo',
+ 'Redo the previous action')
+ wx.EVT_MENU(self, GUIFRAME_ID.REDO_ID, self.on_redo_panel)
+ self._edit_menu.AppendSeparator()
+ self._edit_menu.Append(GUIFRAME_ID.COPY_ID, '&Copy Params',
+ 'Copy parameter values')
+ wx.EVT_MENU(self, GUIFRAME_ID.COPY_ID, self.on_copy_panel)
+ self._edit_menu.Append(GUIFRAME_ID.PASTE_ID, '&Paste Params',
+ 'Paste parameter values')
+ wx.EVT_MENU(self, GUIFRAME_ID.PASTE_ID, self.on_paste_panel)
+
+ self._edit_menu.AppendSeparator()
+
+ self._edit_menu_copyas = wx.Menu()
+ # Sub menu for Copy As...
+ self._edit_menu_copyas.Append(GUIFRAME_ID.COPYEX_ID,
+ 'Copy current tab to Excel',
+ 'Copy parameter values in tabular format')
+ wx.EVT_MENU(self, GUIFRAME_ID.COPYEX_ID, self.on_copy_panel)
+
+ self._edit_menu_copyas.Append(GUIFRAME_ID.COPYLAT_ID,
+ 'Copy current tab to LaTeX',
+ 'Copy parameter values in tabular format')
+ wx.EVT_MENU(self, GUIFRAME_ID.COPYLAT_ID, self.on_copy_panel)
+
+ self._edit_menu.AppendMenu(GUIFRAME_ID.COPYAS_ID, 'Copy Params as...',
+ self._edit_menu_copyas,
+ 'Copy parameter values in various formats')
+
+ self._edit_menu.AppendSeparator()
+
+ self._edit_menu.Append(GUIFRAME_ID.PREVIEW_ID, '&Report Results',
+ 'Preview current panel')
+ wx.EVT_MENU(self, GUIFRAME_ID.PREVIEW_ID, self.on_preview_panel)
+
+ self._edit_menu.Append(GUIFRAME_ID.RESET_ID, '&Reset Page',
+ 'Reset current panel')
+ wx.EVT_MENU(self, GUIFRAME_ID.RESET_ID, self.on_reset_panel)
+
+ self._menubar.Append(self._edit_menu, '&Edit')
+ self.enable_edit_menu()
+
+ def get_style(self):
+ """
+ Return the gui style
+ """
+ return self.__gui_style
+
+ def _add_menu_data(self):
+ """
+ Add menu item item data to menu bar
+ """
+ if self._data_plugin is not None:
+ menu_list = self._data_plugin.populate_menu(self)
+ if menu_list:
+ for (menu, name) in menu_list:
+ self._menubar.Append(menu, name)
+
+ def _on_toggle_toolbar(self, event=None):
+ """
+ hide or show toolbar
+ """
+ if self._toolbar is None:
+ return
+ if self._toolbar.IsShown():
+ if self._toolbar_menu is not None:
+ self._toolbar_menu.SetItemLabel('Show Toolbar')
+ self._toolbar.Hide()
+ else:
+ if self._toolbar_menu is not None:
+ self._toolbar_menu.SetItemLabel('Hide Toolbar')
+ self._toolbar.Show()
+ self._toolbar.Realize()
+
+ def _on_status_event(self, evt):
+ """
+ Display status message
+ """
+ # This CallAfter fixes many crashes on MAC.
+ wx.CallAfter(self.sb.set_status, evt)
+
+ def on_view(self, evt):
+ """
+ A panel was selected to be shown. If it's not already
+ shown, display it.
+
+ :param evt: menu event
+
+ """
+ panel_id = str(evt.GetId())
+ self.on_set_plot_focus(self.panels[panel_id])
+ wx.CallLater(5 * TIME_FACTOR, self.set_schedule(True))
+ self.set_plot_unfocus()
+
+ def show_welcome_panel(self, event):
+ """
+ Display the welcome panel
+ """
+ if self.defaultPanel is None:
+ return
+ frame = self.panels['default'].get_frame()
+ if frame is None:
+ return
+ # Show default panel
+ if not frame.IsShown():
+ frame.Show(True)
+
+ def on_close_welcome_panel(self):
+ """
+ Close the welcome panel
+ """
+ if self.defaultPanel is None:
+ return
+ default_panel = self.panels["default"].frame
+ if default_panel.IsShown():
+ default_panel.Show(False)
+
+ def delete_panel(self, uid):
+ """
+ delete panel given uid
+ """
+ ID = str(uid)
+ config.printEVT("delete_panel: %s" % ID)
+ if ID in self.panels.keys():
+ self.panel_on_focus = None
+ panel = self.panels[ID]
+
+ if hasattr(panel, "connect"):
+ panel.connect.disconnect()
+ self._plotting_plugin.delete_panel(panel.group_id)
+
+ if panel in self.schedule_full_draw_list:
+ self.schedule_full_draw_list.remove(panel)
+
+ # delete uid number not str(uid)
+ if ID in self.plot_panels.keys():
+ del self.plot_panels[ID]
+ if ID in self.panels.keys():
+ del self.panels[ID]
+ else:
+ logging.error("delete_panel: No such plot id as %s" % ID)
+
+ def create_gui_data(self, data, path=None):
+ """
+ """
+ return self._data_manager.create_gui_data(data, path)
+
+ def get_data(self, path):
+ """
+ """
+ log_msg = ''
+ basename = os.path.basename(path)
+ _, extension = os.path.splitext(basename)
+ if extension.lower() not in EXTENSIONS:
+ log_msg = "File Loader cannot "
+ log_msg += "load: %s\n" % str(basename)
+ log_msg += "Try Data opening...."
+ logging.error(log_msg)
+ return
+
+ # reading a state file
+ for plug in self.plugins:
+ reader, ext = plug.get_extensions()
+ if reader is not None:
+ # read the state of the single plugin
+ if extension == ext:
+ reader.read(path)
+ return
+ elif extension == APPLICATION_STATE_EXTENSION:
+ try:
+ reader.read(path)
+ except:
+ msg = "DataLoader Error: Encounted Non-ASCII character"
+ msg += "\n(%s)" % sys.exc_value
+ wx.PostEvent(self, StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+ return
+
+ style = self.__gui_style & GUIFRAME.MANAGER_ON
+ if style == GUIFRAME.MANAGER_ON:
+ if self._data_panel is not None:
+ self._data_panel.frame.Show(True)
+
+ def load_from_cmd(self, path):
+ """
+ load data from cmd or application
+ """
+ if path is None:
+ return
+ else:
+ path = os.path.abspath(path)
+ if not os.path.isfile(path) and not os.path.isdir(path):
+ return
+
+ if os.path.isdir(path):
+ self.load_folder(path)
+ return
+
+ basename = os.path.basename(path)
+ _, extension = os.path.splitext(basename)
+ if extension.lower() not in EXTENSIONS:
+ self.load_data(path)
+ else:
+ self.load_state(path)
+
+ self._default_save_location = os.path.dirname(path)
+
+ def load_state(self, path, is_project=False):
+ """
+ load data from command line or application
+ """
+ if path and (path is not None) and os.path.isfile(path):
+ basename = os.path.basename(path)
+ if APPLICATION_STATE_EXTENSION is not None \
+ and basename.endswith(APPLICATION_STATE_EXTENSION):
+ if is_project:
+ for ID in self.plot_panels.keys():
+ panel = self.plot_panels[ID]
+ panel.on_close(None)
+ self.get_data(path)
+ wx.PostEvent(self, StatusEvent(status="Completed loading."))
+ else:
+ wx.PostEvent(self, StatusEvent(status=" "))
+
+ def load_data(self, path):
+ """
+ load data from command line
+ """
+ if not os.path.isfile(path):
+ return
+ basename = os.path.basename(path)
+ _, extension = os.path.splitext(basename)
+ if extension.lower() in EXTENSIONS:
+ log_msg = "Data Loader cannot "
+ log_msg += "load: %s\n" % str(path)
+ log_msg += "Try File opening ...."
+ logging.error(log_msg)
+ return
+ log_msg = ''
+ output = {}
+ error_message = ""
+ try:
+ logging.info("Loading Data...:\n" + str(path) + "\n")
+ temp = self.loader.load(path)
+ if temp.__class__.__name__ == "list":
+ for item in temp:
+ data = self.create_gui_data(item, path)
+ output[data.id] = data
+ else:
+ data = self.create_gui_data(temp, path)
+ output[data.id] = data
+
+ self.add_data(data_list=output)
+ except:
+ error_message = "Error while loading"
+ error_message += " Data from cmd:\n %s\n" % str(path)
+ error_message += str(sys.exc_value) + "\n"
+ logging.error(error_message)
+
+ def load_folder(self, path):
+ """
+ Load entire folder
+ """
+ if not os.path.isdir(path):
+ return
+ if self._data_plugin is None:
+ return
+ try:
+ if path is not None:
+ self._default_save_location = os.path.dirname(path)
+ file_list = self._data_plugin.get_file_path(path)
+ self._data_plugin.get_data(file_list)
+ else:
+ return
+ except:
+ error_message = "Error while loading"
+ error_message += " Data folder from cmd:\n %s\n" % str(path)
+ error_message += str(sys.exc_value) + "\n"
+ logging.error(error_message)
+
+ def _on_open_state_application(self, event):
+ """
+ """
+ path = None
+ if self._default_save_location is None:
+ self._default_save_location = os.getcwd()
+ wx.PostEvent(self, StatusEvent(status="Loading Analysis file..."))
+ plug_wlist = self._on_open_state_app_helper()
+ dlg = wx.FileDialog(self,
+ "Choose a file",
+ self._default_save_location, "",
+ plug_wlist)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ if path is not None:
+ self._default_save_location = os.path.dirname(path)
+ dlg.Destroy()
+ self.load_state(path=path)
+
+ def _on_open_state_app_helper(self):
+ """
+ Helps '_on_open_state_application()' to find the extension of
+ the current perspective/application
+ """
+ # No current perspective or no extension attr
+ if self._current_perspective is None:
+ return PLUGINS_WLIST
+ try:
+ # Find the extension of the perspective
+ # and get that as 1st item in list
+ ind = None
+ app_ext = self._current_perspective._extensions
+ plug_wlist = config.PLUGINS_WLIST
+ for ext in set(plug_wlist):
+ if ext.count(app_ext) > 0:
+ ind = ext
+ break
+ # Found the extension
+ if ind is not None:
+ plug_wlist.remove(ind)
+ plug_wlist.insert(0, ind)
+ try:
+ plug_wlist = '|'.join(plug_wlist)
+ except:
+ plug_wlist = ''
+
+ except:
+ plug_wlist = PLUGINS_WLIST
+
+ return plug_wlist
+
+ def _on_open_state_project(self, event):
+ """
+ Load in a .svs project file after removing all data from SasView
+ """
+ path = None
+ if self._default_save_location is None:
+ self._default_save_location = os.getcwd()
+ msg = "This operation will set remove all data, plots and analyses from"
+ msg += " SasView before loading the project. Do you wish to continue?"
+ msg_box = wx.MessageDialog(None, msg, 'Warning', wx.OK | wx.CANCEL)
+ if msg_box.ShowModal() == wx.ID_OK:
+ self._data_panel.selection_cbox.SetValue('Select all Data')
+ self._data_panel._on_selection_type(None)
+ for _, theory_dict in self._data_panel.list_cb_theory.iteritems():
+ for key, value in theory_dict.iteritems():
+ item, _, _ = value
+ item.Check(True)
+
+ wx.PostEvent(self, StatusEvent(status="Loading Project file..."))
+ dlg = wx.FileDialog(self, "Choose a file",
+ self._default_save_location, "",
+ APPLICATION_WLIST)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ if path is not None:
+ self._default_save_location = os.path.dirname(path)
+ dlg.Destroy()
+ # Reset to a base state
+ self._on_reset_state()
+ self._data_panel.on_remove(None, False)
+ # Load the project file
+ self.load_state(path=path, is_project=True)
+
+ def _on_reset_state(self):
+ """
+ Resets SasView to its freshly opened state.
+ :return: None
+ """
+ # Reset all plugins to their base state
+ self._data_panel.set_panel_on_focus()
+ # Remove all loaded data
+ for plugin in self.plugins:
+ plugin.clear_panel()
+ # Reset plot number to 0
+ self.graph_num = 0
+
+ def _on_save_application(self, event):
+ """
+ save the state of the current active application
+ """
+ if self.cpanel_on_focus is not None:
+ try:
+ wx.PostEvent(self,
+ StatusEvent(status="Saving Analysis file..."))
+ self.cpanel_on_focus.on_save(event)
+ wx.PostEvent(self,
+ StatusEvent(status="Completed saving."))
+ except Exception:
+ msg = "Error occurred while saving: "
+ msg += traceback.format_exc()
+ msg += "To save, the application panel should have a data set.."
+ wx.PostEvent(self, StatusEvent(status=msg))
+
+ def _on_save_project(self, event):
+ """
+ save the state of the SasView as *.svs
+ """
+ if self._current_perspective is None:
+ return
+ wx.PostEvent(self, StatusEvent(status="Saving Project file..."))
+ path = None
+ extension = '*' + APPLICATION_STATE_EXTENSION
+ dlg = wx.FileDialog(self, "Save Project file",
+ self._default_save_location, "sasview_proj",
+ extension,
+ wx.SAVE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ self._default_save_location = os.path.dirname(path)
+ else:
+ return None
+ dlg.Destroy()
+ try:
+ if path is None:
+ return
+ # default cansas xml doc
+ doc = None
+ for panel in self.panels.values():
+ temp = panel.save_project(doc)
+ if temp is not None:
+ doc = temp
+
+ # Write the XML document
+ extens = APPLICATION_STATE_EXTENSION
+ fName = os.path.splitext(path)[0] + extens
+ if doc is not None:
+ fd = open(fName, 'w')
+ fd.write(doc.toprettyxml())
+ fd.close()
+ wx.PostEvent(self, StatusEvent(status="Completed Saving."))
+ else:
+ msg = "Error occurred while saving the project: "
+ msg += "To save, at least one application panel "
+ msg += "should have a data set "
+ msg += "and model selected. "
+ msg += "No project was saved to %s" % (str(path))
+ logging.warning(msg)
+ wx.PostEvent(self, StatusEvent(status=msg, info="error"))
+ except Exception:
+ msg = "Error occurred while saving: "
+ msg += traceback.format_exc()
+ msg += "To save, at least one application panel "
+ msg += "should have a data set.."
+ wx.PostEvent(self, StatusEvent(status=msg, info="error"))
+
+ def on_save_helper(self, doc, reader, panel, path):
+ """
+ Save state into a file
+ """
+ if reader is not None:
+ # case of a panel with multi-pages
+ if hasattr(panel, "opened_pages"):
+ for _, page in panel.opened_pages.iteritems():
+ data = page.get_data()
+ # state must be cloned
+ state = page.get_state().clone()
+ if data is not None:
+ new_doc = reader.write_toXML(data, state)
+ if doc is not None and hasattr(doc, "firstChild"):
+ child = new_doc.firstChild.firstChild
+ doc.firstChild.appendChild(child)
+ else:
+ doc = new_doc
+ # case of only a panel
+ else:
+ data = panel.get_data()
+ state = panel.get_state()
+ if data is not None:
+ new_doc = reader.write_toXML(data, state)
+ if doc is not None and hasattr(doc, "firstChild"):
+ child = new_doc.firstChild.firstChild
+ doc.firstChild.appendChild(child)
+ else:
+ doc = new_doc
+ return doc
+
+ def quit_guiframe(self):
+ """
+ Pop up message to make sure the user wants to quit the application
+ """
+ message = "\nDo you really want to exit this application? \n\n"
+ dial = wx.MessageDialog(self, message, 'Confirm Exit',
+ wx.YES_NO | wx.YES_DEFAULT | wx.ICON_QUESTION)
+ if dial.ShowModal() == wx.ID_YES:
+ return True
+ else:
+ return False
+
+ def WindowClose(self, event=None):
+ """
+ Quit the application from x icon
+ """
+ flag = self.quit_guiframe()
+ if flag:
+ _pylab_helpers.Gcf.figs = {}
+ self.Close()
+
+ def Close(self, event=None):
+ """
+ Quit the application
+ """
+ #IF SAS_OPENCL is set, settings are stored in the custom config file
+ self._write_opencl_config_file()
+ logging.info(" --- SasView session was closed --- \n")
+ wx.Exit()
+ sys.exit()
+
+ def _write_opencl_config_file(self):
+ """
+ Writes OpenCL settings to custom config file, so they can be remmbered
+ from session to session
+ """
+ if custom_config is not None:
+ sas_opencl = os.environ.get("SAS_OPENCL",None)
+ new_config_lines = []
+ config_file = open(custom_config.__file__)
+ config_lines = config_file.readlines()
+ for line in config_lines:
+ if "SAS_OPENCL" in line:
+ if sas_opencl:
+ new_config_lines.append("SAS_OPENCL = \""+sas_opencl+"\"")
+ else:
+ new_config_lines.append("SAS_OPENCL = None")
+ else:
+ new_config_lines.append(line)
+ config_file.close()
+
+ #If custom_config is None, settings will not be remmbered
+ new_config_file = open(custom_config.__file__,"w")
+ new_config_file.writelines(new_config_lines)
+ new_config_file.close()
+ else:
+ logging.info("Failed to save OPENCL settings in custom config file")
+
+
+ def _check_update(self, event=None):
+ """
+ Check with the deployment server whether a new version
+ of the application is available.
+ A thread is started for the connecting with the server. The thread calls
+ a call-back method when the current version number has been obtained.
+ """
+ version_info = {"version": "0.0.0"}
+ c = Connection(config.__update_URL__, config.UPDATE_TIMEOUT)
+ response = c.connect()
+ if response is not None:
+ try:
+ #
+ content = response.read().strip()
+ logging.info("Connected to www.sasview.org. Latest version: %s"
+ % (content))
+ version_info = json.loads(content)
+ except:
+ logging.info("Failed to connect to www.sasview.org")
+ self._process_version(version_info, standalone=event is None)
+
+ def _process_version(self, version_info, standalone=True):
+ """
+ Call-back method for the process of checking for updates.
+ This methods is called by a VersionThread object once the current
+ version number has been obtained. If the check is being done in the
+ background, the user will not be notified unless there's an update.
+
+ :param version: version string
+ :param standalone: True of the update is being checked in
+ the background, False otherwise.
+
+ """
+ try:
+ version = version_info["version"]
+ if version == "0.0.0":
+ msg = "Could not connect to the application server."
+ msg += " Please try again later."
+ self.SetStatusText(msg)
+ elif cmp(version, config.__version__) > 0:
+ msg = "Version %s is available! " % str(version)
+ if not standalone:
+ import webbrowser
+ if "download_url" in version_info:
+ webbrowser.open(version_info["download_url"])
+ else:
+ webbrowser.open(config.__download_page__)
+ else:
+ msg += "See the help menu to download it."
+ self.SetStatusText(msg)
+ else:
+ if not standalone:
+ msg = "You have the latest version"
+ msg += " of %s" % str(config.__appname__)
+ self.SetStatusText(msg)
+ except:
+ msg = "guiframe: could not get latest application"
+ msg += " version number\n %s" % sys.exc_value
+ logging.error(msg)
+ if not standalone:
+ msg = "Could not connect to the application server."
+ msg += " Please try again later."
+ self.SetStatusText(msg)
+
+ def _onAcknowledge(self, evt):
+ """
+ Pop up the acknowledge dialog
+
+ :param evt: menu event
+
+ """
+ if config._do_acknowledge:
+ import sas.sasgui.guiframe.acknowledgebox as AcknowledgeBox
+ dialog = AcknowledgeBox.DialogAcknowledge(None, -1, "")
+ dialog.ShowModal()
+
+ def _onAbout(self, evt):
+ """
+ Pop up the about dialog
+
+ :param evt: menu event
+
+ """
+ if config._do_aboutbox:
+ import sas.sasgui.guiframe.aboutbox as AboutBox
+ dialog = AboutBox.DialogAbout(None, -1, "")
+ dialog.ShowModal()
+
+ def _onTutorial(self, evt):
+ """
+ Pop up the tutorial dialog
+
+ :param evt: menu event
+
+ """
+ if config._do_tutorial:
+ path = config.TUTORIAL_PATH
+ if IS_WIN:
+ try:
+ from sas.sasgui.guiframe.pdfview import PDFFrame
+ dialog = PDFFrame(None, -1, "Tutorial", path)
+ # put icon
+ self.put_icon(dialog)
+ dialog.Show(True)
+ except:
+ logging.error("Error in _onTutorial: %s" % sys.exc_value)
+ try:
+ # Try an alternate method
+ logging.error(
+ "Could not open the tutorial pdf, trying xhtml2pdf")
+ from xhtml2pdf import pisa
+ pisa.startViewer(path)
+ except:
+ logging.error(
+ "Could not open the tutorial pdf with xhtml2pdf")
+ msg = "This feature requires 'PDF Viewer'\n"
+ wx.MessageBox(msg, 'Error')
+ else:
+ try:
+ command = "open '%s'" % path
+ os.system(command)
+ except:
+ try:
+ # Try an alternate method
+ logging.error(
+ "Could not open the tutorial pdf, trying xhtml2pdf")
+ from xhtml2pdf import pisa
+ pisa.startViewer(path)
+ except:
+ logging.error(
+ "Could not open the tutorial pdf with xhtml2pdf")
+ msg = "This feature requires the Preview application\n"
+ wx.MessageBox(msg, 'Error')
+
+ def _onSphinxDocs(self, evt):
+ """
+ Bring up Sphinx Documentation at top level whenever the menu item
+ 'documentation' is clicked. Calls DocumentationWindow with the top
+ level path of "index.html"
+
+ :param evt: menu event
+ """
+ # Running SasView "in-place" using run.py means the docs will be in a
+ # different place than they would otherwise.
+ from documentation_window import DocumentationWindow
+ _TreeLocation = "user/user.html"
+ DocumentationWindow(self, -1, _TreeLocation, "",
+ "SasView Documentation")
+
+ def set_manager(self, manager):
+ """
+ Sets the application manager for this frame
+
+ :param manager: frame manager
+ """
+ self.app_manager = manager
+
+ def post_init(self):
+ """
+ This initialization method is called after the GUI
+ has been created and all plug-ins loaded. It calls
+ the post_init() method of each plug-in (if it exists)
+ so that final initialization can be done.
+ """
+ for item in self.plugins:
+ if hasattr(item, "post_init"):
+ item.post_init()
+
+ def set_perspective(self, panels):
+ """
+ Sets the perspective of the GUI.
+ Opens all the panels in the list, and closes
+ all the others.
+
+ :param panels: list of panels
+ """
+ for item in self.panels.keys():
+ # Check whether this is a sticky panel
+ if hasattr(self.panels[item], "ALWAYS_ON"):
+ if self.panels[item].ALWAYS_ON:
+ continue
+ if self.panels[item] is None:
+ continue
+ if self.panels[item].window_name in panels:
+ frame = self.panels[item].get_frame()
+ if not frame.IsShown():
+ frame.Show(True)
+ else:
+ # always show the data panel if enable
+ style = self.__gui_style & GUIFRAME.MANAGER_ON
+ if (style == GUIFRAME.MANAGER_ON) \
+ and self.panels[item] == self._data_panel:
+ if 'data_panel' in self.panels.keys():
+ frame = self.panels['data_panel'].get_frame()
+ if frame is None:
+ continue
+ flag = frame.IsShown()
+ frame.Show(flag)
+ else:
+ frame = self.panels[item].get_frame()
+ if frame is None:
+ continue
+
+ if frame.IsShown():
+ frame.Show(False)
+
+ def show_data_panel(self, event=None, action=True):
+ """
+ show the data panel
+ """
+ if self._data_panel_menu is None:
+ return
+ label = self._data_panel_menu.GetText()
+ pane = self.panels["data_panel"]
+ frame = pane.get_frame()
+ if label == 'Show Data Explorer':
+ if action:
+ frame.Show(True)
+ self.__gui_style = self.__gui_style | GUIFRAME.MANAGER_ON
+ self._data_panel_menu.SetText('Hide Data Explorer')
+ else:
+ if action:
+ frame.Show(False)
+ self.__gui_style = self.__gui_style & (~GUIFRAME.MANAGER_ON)
+ self._data_panel_menu.SetText('Show Data Explorer')
+
+ def add_data_helper(self, data_list):
+ """
+ """
+ if self._data_manager is not None:
+ self._data_manager.add_data(data_list)
+
+ def add_data(self, data_list):
+ """
+ receive a dictionary of data from loader
+ store them its data manager if possible
+ send to data the current active perspective if the data panel
+ is not active.
+ :param data_list: dictionary of data's ID and value Data
+ """
+ # Store data into manager
+ self.add_data_helper(data_list)
+ # set data in the data panel
+ if self._data_panel is not None:
+ data_state = self._data_manager.get_data_state(data_list.keys())
+ self._data_panel.load_data_list(data_state)
+ # if the data panel is shown wait for the user to press a button
+ # to send data to the current perspective. if the panel is not
+ # show automatically send the data to the current perspective
+ style = self.__gui_style & GUIFRAME.MANAGER_ON
+ if style == GUIFRAME.MANAGER_ON:
+ # wait for button press from the data panel to set_data
+ if self._data_panel is not None:
+ self._data_panel.frame.Show(True)
+ else:
+ # automatically send that to the current perspective
+ self.set_data(data_id=data_list.keys())
+
+ def set_data(self, data_id, theory_id=None):
+ """
+ set data to current perspective
+ """
+ list_data, _ = self._data_manager.get_by_id(data_id)
+ if self._current_perspective is not None:
+ self._current_perspective.set_data(list_data.values())
+
+ else:
+ msg = "Guiframe does not have a current perspective"
+ logging.info(msg)
+
+ def set_theory(self, state_id, theory_id=None):
+ """
+ """
+ _, list_theory = self._data_manager.get_by_id(theory_id)
+ if self._current_perspective is not None:
+ try:
+ self._current_perspective.set_theory(list_theory.values())
+ except:
+ msg = "Guiframe set_theory: \n" + str(sys.exc_value)
+ logging.info(msg)
+ wx.PostEvent(self, StatusEvent(status=msg, info="error"))
+ else:
+ msg = "Guiframe does not have a current perspective"
+ logging.info(msg)
+
+ def plot_data(self, state_id, data_id=None,
+ theory_id=None, append=False):
+ """
+ send a list of data to plot
+ """
+ data_list, _ = self._data_manager.get_by_id(data_id)
+ _, temp_list_theory = self._data_manager.get_by_id(theory_id)
+ total_plot_list = data_list.values()
+ for item in temp_list_theory.values():
+ theory_data, theory_state = item
+ total_plot_list.append(theory_data)
+ GROUP_ID = wx.NewId()
+ for new_plot in total_plot_list:
+ if append:
+ if self.panel_on_focus is None:
+ message = "cannot append plot. No plot panel on focus!"
+ message += "please click on any available plot to set focus"
+ wx.PostEvent(self, StatusEvent(status=message,
+ info='warning'))
+ return
+ else:
+ if self.enable_add_data(new_plot):
+ new_plot.group_id = self.panel_on_focus.group_id
+ else:
+ message = "Only 1D Data can be append to"
+ message += " plot panel containing 1D data.\n"
+ message += "%s not be appended.\n" % str(new_plot.name)
+ message += "try new plot option.\n"
+ wx.PostEvent(self, StatusEvent(status=message,
+ info='warning'))
+ else:
+ # if not append then new plot
+ from sas.sasgui.guiframe.dataFitting import Data2D
+ if issubclass(Data2D, new_plot.__class__):
+ # for 2 D always plot in a separated new plot
+ new_plot.group_id = wx.NewId()
+ else:
+ # plot all 1D in a new plot
+ new_plot.group_id = GROUP_ID
+ title = "PLOT " + str(new_plot.title)
+ wx.PostEvent(self, NewPlotEvent(plot=new_plot,
+ title=title,
+ group_id=new_plot.group_id))
+
+ def remove_data(self, data_id, theory_id=None):
+ """
+ Delete data state if data_id is provide
+ delete theory created with data of id data_id if theory_id is provide
+ if delete all true: delete the all state
+ else delete theory
+ """
+ temp = data_id + theory_id
+ for plug in self.plugins:
+ plug.delete_data(temp)
+ data_list, _ = self._data_manager.get_by_id(data_id)
+ _, temp_list_theory = self._data_manager.get_by_id(theory_id)
+ total_plot_list = data_list.values()
+ for item in temp_list_theory.values():
+ theory_data, theory_state = item
+ total_plot_list.append(theory_data)
+ for new_plot in total_plot_list:
+ for group_id in new_plot.list_group_id:
+ wx.PostEvent(self, NewPlotEvent(id=new_plot.id,
+ group_id=group_id,
+ action='remove'))
+ wx.CallAfter(self._remove_res_plot, new_plot.id)
+ self._data_manager.delete_data(data_id=data_id,
+ theory_id=theory_id)
+
+ def _remove_res_plot(self, id):
+ """
+ Try to remove corresponding res plot
+
+ : param id: id of the data
+ """
+ try:
+ wx.PostEvent(self, NewPlotEvent(id=("res" + str(id)),
+ group_id=("res" + str(id)),
+ action='remove'))
+ except:
+ logging.error(sys.exc_value)
+
+ def save_data1d(self, data, fname):
+ """
+ Save data dialog
+ """
+ default_name = fname
+ wildcard = "Text files (*.txt)|*.txt|"\
+ "CanSAS 1D files(*.xml)|*.xml"
+ path = None
+ dlg = wx.FileDialog(self, "Choose a file",
+ self._default_save_location,
+ default_name, wildcard, wx.SAVE)
+
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ # ext_num = 0 for .txt, ext_num = 1 for .xml
+ # This is MAC Fix
+ ext_num = dlg.GetFilterIndex()
+ if ext_num == 0:
+ ext_format = '.txt'
+ else:
+ ext_format = '.xml'
+ path = os.path.splitext(path)[0] + ext_format
+ mypath = os.path.basename(path)
+
+ # Instantiate a loader
+ loader = Loader()
+ ext_format = ".txt"
+ if os.path.splitext(mypath)[1].lower() == ext_format:
+ # Make sure the ext included in the file name
+ # especially on MAC
+ fName = os.path.splitext(path)[0] + ext_format
+ self._onsaveTXT(data, fName)
+ ext_format = ".xml"
+ if os.path.splitext(mypath)[1].lower() == ext_format:
+ # Make sure the ext included in the file name
+ # especially on MAC
+ fName = os.path.splitext(path)[0] + ext_format
+ loader.save(fName, data, ext_format)
+ try:
+ self._default_save_location = os.path.dirname(path)
+ except:
+ pass
+ dlg.Destroy()
+
+ def _onsaveTXT(self, data, path):
+ """
+ Save file as txt
+
+ .. todo:: Refactor and remove this method. See 'TODO' in _onSave.
+ """
+ if path is not None:
+ out = open(path, 'w')
+ has_errors = True
+ if data.dy is None or data.dy == []:
+ has_errors = False
+ # Sanity check
+ if has_errors:
+ try:
+ if len(data.y) != len(data.dy):
+ has_errors = False
+ except:
+ has_errors = False
+ if has_errors:
+ if data.dx is not None and data.dx != []:
+ out.write("<X> <Y> <dY> <dX>\n")
+ else:
+ out.write("<X> <Y> <dY>\n")
+ else:
+ out.write("<X> <Y>\n")
+
+ for i in range(len(data.x)):
+ if has_errors:
+ if data.dx is not None and data.dx != []:
+ if data.dx[i] is not None:
+ out.write("%g %g %g %g\n" % (data.x[i],
+ data.y[i],
+ data.dy[i],
+ data.dx[i]))
+ else:
+ out.write("%g %g %g\n" % (data.x[i],
+ data.y[i],
+ data.dy[i]))
+ else:
+ out.write("%g %g %g\n" % (data.x[i],
+ data.y[i],
+ data.dy[i]))
+ else:
+ out.write("%g %g\n" % (data.x[i],
+ data.y[i]))
+ out.close()
+
+ def show_data1d(self, data, name):
+ """
+ Show data dialog
+ """
+ try:
+ xmin = min(data.x)
+ ymin = min(data.y)
+ except:
+ msg = "Unable to find min/max of \n data named %s" % \
+ data.filename
+ wx.PostEvent(self, StatusEvent(status=msg,
+ info="error"))
+ raise ValueError, msg
+ # text = str(data)
+ text = data.__str__()
+ text += 'Data Min Max:\n'
+ text += 'X_min = %s: X_max = %s\n' % (xmin, max(data.x))
+ text += 'Y_min = %s: Y_max = %s\n' % (ymin, max(data.y))
+ if data.dy is not None:
+ text += 'dY_min = %s: dY_max = %s\n' % (min(data.dy), max(data.dy))
+ text += '\nData Points:\n'
+ x_st = "X"
+ for index in range(len(data.x)):
+ if data.dy is not None and len(data.dy) > index:
+ dy_val = data.dy[index]
+ else:
+ dy_val = 0.0
+ if data.dx is not None and len(data.dx) > index:
+ dx_val = data.dx[index]
+ else:
+ dx_val = 0.0
+ if data.dxl is not None and len(data.dxl) > index:
+ if index == 0:
+ x_st = "Xl"
+ dx_val = data.dxl[index]
+ elif data.dxw is not None and len(data.dxw) > index:
+ if index == 0:
+ x_st = "Xw"
+ dx_val = data.dxw[index]
+
+ if index == 0:
+ text += "<index> \t<X> \t<Y> \t<dY> \t<d%s>\n" % x_st
+ text += "%s \t%s \t%s \t%s \t%s\n" % (index,
+ data.x[index],
+ data.y[index],
+ dy_val,
+ dx_val)
+ from pdfview import TextFrame
+ frame = TextFrame(None, -1, "Data Info: %s" % data.name, text)
+ # put icon
+ self.put_icon(frame)
+ frame.Show(True)
+
+ def save_data2d(self, data, fname):
+ """
+ Save data2d dialog
+ """
+ default_name = fname
+ wildcard = "IGOR/DAT 2D file in Q_map (*.dat)|*.DAT"
+ dlg = wx.FileDialog(self, "Choose a file",
+ self._default_save_location,
+ default_name, wildcard, wx.SAVE)
+
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ # ext_num = 0 for .txt, ext_num = 1 for .xml
+ # This is MAC Fix
+ ext_num = dlg.GetFilterIndex()
+ if ext_num == 0:
+ ext_format = '.dat'
+ else:
+ ext_format = ''
+ path = os.path.splitext(path)[0] + ext_format
+ mypath = os.path.basename(path)
+
+ # Instantiate a loader
+ loader = Loader()
+
+ ext_format = ".dat"
+ if os.path.splitext(mypath)[1].lower() == ext_format:
+ # Make sure the ext included in the file name
+ # especially on MAC
+ fileName = os.path.splitext(path)[0] + ext_format
+ loader.save(fileName, data, ext_format)
+ try:
+ self._default_save_location = os.path.dirname(path)
+ except:
+ pass
+ dlg.Destroy()
+
+ def show_data2d(self, data, name):
+ """
+ Show data dialog
+ """
+ wx.PostEvent(self, StatusEvent(status="Gathering Data2D Info.",
+ type='start'))
+ text = data.__str__()
+ text += 'Data Min Max:\n'
+ text += 'I_min = %s\n' % min(data.data)
+ text += 'I_max = %s\n\n' % max(data.data)
+ text += 'Data (First 2501) Points:\n'
+ text += 'Data columns include err(I).\n'
+ text += 'ASCII data starts here.\n'
+ text += "<index> \t<Qx> \t<Qy> \t<I> \t<dI> \t<dQparal> \t<dQperp>\n"
+ di_val = 0.0
+ dx_val = 0.0
+ dy_val = 0.0
+ len_data = len(data.qx_data)
+ for index in xrange(0, len_data):
+ x_val = data.qx_data[index]
+ y_val = data.qy_data[index]
+ i_val = data.data[index]
+ if data.err_data is not None:
+ di_val = data.err_data[index]
+ if data.dqx_data is not None:
+ dx_val = data.dqx_data[index]
+ if data.dqy_data is not None:
+ dy_val = data.dqy_data[index]
+
+ text += "%s \t%s \t%s \t%s \t%s \t%s \t%s\n" % (index,
+ x_val,
+ y_val,
+ i_val,
+ di_val,
+ dx_val,
+ dy_val)
+ # Takes too long time for typical data2d: Break here
+ if index >= 2500:
+ text += ".............\n"
+ break
+
+ from pdfview import TextFrame
+ frame = TextFrame(None, -1, "Data Info: %s" % data.name, text)
+ # put icon
+ self.put_icon(frame)
+ frame.Show(True)
+ wx.PostEvent(self, StatusEvent(status="Data2D Info Displayed",
+ type='stop'))
+
+ def set_current_perspective(self, perspective):
+ """
+ set the current active perspective
+ """
+ self._current_perspective = perspective
+ name = "No current analysis selected"
+ if self._current_perspective is not None:
+ self._add_current_plugin_menu()
+ for panel in self.panels.values():
+ if hasattr(panel, 'CENTER_PANE') and panel.CENTER_PANE:
+ for name in self._current_perspective.get_perspective():
+ frame = panel.get_frame()
+ if frame is not None:
+ if name == panel.window_name:
+ panel.on_set_focus(event=None)
+ frame.Show(True)
+ else:
+ frame.Show(False)
+ name = self._current_perspective.sub_menu
+ if self._data_panel is not None:
+ self._data_panel.set_active_perspective(name)
+ self._check_applications_menu()
+ # Set the SasView title
+ self._set_title_name(name)
+
+ def _set_title_name(self, name):
+ """
+ Set the SasView title w/ the current application name
+
+ : param name: application name [string]
+ """
+ # Set SanView Window title w/ application anme
+ title = self.title + " - " + name + " -"
+ self.SetTitle(title)
+
+ def _check_applications_menu(self):
+ """
+ check the menu of the current application
+ """
+ if self._applications_menu is not None:
+ for menu in self._applications_menu.GetMenuItems():
+ if self._current_perspective is not None:
+ name = self._current_perspective.sub_menu
+ if menu.IsCheckable():
+ if menu.GetLabel() == name:
+ menu.Check(True)
+ else:
+ menu.Check(False)
+
+ def enable_add_data(self, new_plot):
+ """
+ Enable append data on a plot panel
+ """
+
+ if self.panel_on_focus \
+ not in self._plotting_plugin.plot_panels.values():
+ return
+ check = "Theory1D"
+ is_theory = len(self.panel_on_focus.plots) <= 1 and \
+ self.panel_on_focus.plots.values()[0].__class__.__name__ == check
+
+ is_data2d = hasattr(new_plot, 'data')
+
+ is_data1d = self.panel_on_focus.__class__.__name__ == "ModelPanel1D"\
+ and self.panel_on_focus.group_id is not None
+ has_meta_data = hasattr(new_plot, 'meta_data')
+
+ # disable_add_data if the data is being recovered from a saved state
+ is_state_data = False
+ if has_meta_data:
+ if 'invstate' in new_plot.meta_data:
+ is_state_data = True
+ if 'prstate' in new_plot.meta_data:
+ is_state_data = True
+ if 'fitstate' in new_plot.meta_data:
+ is_state_data = True
+
+ return is_data1d and not is_data2d and not is_theory \
+ and not is_state_data
+
+ def check_multimode(self, perspective=None):
+ """
+ Check the perspective have batch mode capablitity
+ """
+ if perspective is None or self._data_panel is None:
+ return
+ flag = perspective.get_batch_capable()
+ flag_on = perspective.batch_on
+ if flag:
+ self._data_panel.rb_single_mode.SetValue(not flag_on)
+ self._data_panel.rb_batch_mode.SetValue(flag_on)
+ else:
+ self._data_panel.rb_single_mode.SetValue(True)
+ self._data_panel.rb_batch_mode.SetValue(False)
+ self._data_panel.rb_single_mode.Enable(flag)
+ self._data_panel.rb_batch_mode.Enable(flag)
+
+ def enable_edit_menu(self):
+ """
+ enable menu item under edit menu depending on the panel on focus
+ """
+ if self.cpanel_on_focus is not None and self._edit_menu is not None:
+ flag = self.cpanel_on_focus.get_undo_flag()
+ self._edit_menu.Enable(GUIFRAME_ID.UNDO_ID, flag)
+ flag = self.cpanel_on_focus.get_redo_flag()
+ self._edit_menu.Enable(GUIFRAME_ID.REDO_ID, flag)
+ flag = self.cpanel_on_focus.get_copy_flag()
+ self._edit_menu.Enable(GUIFRAME_ID.COPY_ID, flag)
+ flag = self.cpanel_on_focus.get_paste_flag()
+ self._edit_menu.Enable(GUIFRAME_ID.PASTE_ID, flag)
+
+ # Copy menu
+ flag = self.cpanel_on_focus.get_copy_flag()
+ self._edit_menu_copyas.Enable(GUIFRAME_ID.COPYEX_ID, flag)
+ self._edit_menu_copyas.Enable(GUIFRAME_ID.COPYLAT_ID, flag)
+
+ flag = self.cpanel_on_focus.get_preview_flag()
+ self._edit_menu.Enable(GUIFRAME_ID.PREVIEW_ID, flag)
+ flag = self.cpanel_on_focus.get_reset_flag()
+ self._edit_menu.Enable(GUIFRAME_ID.RESET_ID, flag)
+ else:
+ flag = False
+ self._edit_menu.Enable(GUIFRAME_ID.UNDO_ID, flag)
+ self._edit_menu.Enable(GUIFRAME_ID.REDO_ID, flag)
+ self._edit_menu.Enable(GUIFRAME_ID.COPY_ID, flag)
+ self._edit_menu.Enable(GUIFRAME_ID.PASTE_ID, flag)
+ self._edit_menu.Enable(GUIFRAME_ID.PREVIEW_ID, flag)
+ self._edit_menu.Enable(GUIFRAME_ID.RESET_ID, flag)
+
+ def on_undo_panel(self, event=None):
+ """
+ undo previous action of the last panel on focus if possible
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_undo(event)
+
+ def on_redo_panel(self, event=None):
+ """
+ redo the last cancel action done on the last panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_redo(event)
+
+ def on_copy_panel(self, event=None):
+ """
+ copy the last panel on focus if possible
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_copy(event)
+
+ def on_paste_panel(self, event=None):
+ """
+ paste clipboard to the last panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_paste(event)
+
+ def on_bookmark_panel(self, event=None):
+ """
+ bookmark panel
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_bookmark(event)
+
+ def append_bookmark(self, event=None):
+ """
+ Bookmark available information of the panel on focus
+ """
+ self._toolbar.append_bookmark(event)
+
+ def on_save_panel(self, event=None):
+ """
+ save possible information on the current panel
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_save(event)
+
+ def on_preview_panel(self, event=None):
+ """
+ preview information on the panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_preview(event)
+
+ def on_print_panel(self, event=None):
+ """
+ print available information on the last panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_print(event)
+
+ def on_zoom_panel(self, event=None):
+ """
+ zoom on the current panel if possible
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_zoom(event)
+
+ def on_zoom_in_panel(self, event=None):
+ """
+ zoom in of the panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_zoom_in(event)
+
+ def on_zoom_out_panel(self, event=None):
+ """
+ zoom out on the panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_zoom_out(event)
+
+ def on_drag_panel(self, event=None):
+ """
+ drag apply to the panel on focus
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_drag(event)
+
+ def on_reset_panel(self, event=None):
+ """
+ reset the current panel
+ """
+ if self.cpanel_on_focus is not None:
+ self.cpanel_on_focus.on_reset(event)
+
+ def on_change_caption(self, name, old_caption, new_caption):
+ """
+ Change the panel caption
+
+ :param name: window_name of the pane
+ :param old_caption: current caption [string]
+ :param new_caption: new caption [string]
+ """
+ # wx.aui.AuiPaneInfo
+ pane_info = self.get_paneinfo(old_caption)
+ # update the data_panel.cb_plotpanel
+ if 'data_panel' in self.panels.keys():
+ # remove from data_panel combobox
+ data_panel = self.panels["data_panel"]
+ if data_panel.cb_plotpanel is not None:
+ # Check if any panel has the same caption
+ has_newstring = data_panel.cb_plotpanel.FindString(
+ str(new_caption))
+ caption = new_caption
+ if has_newstring != wx.NOT_FOUND:
+ captions = self._get_plotpanel_captions()
+ # Append nummber
+ inc = 1
+ # FIXME: fix this terrible loop
+ while (1):
+ caption = new_caption + '_%s' % str(inc)
+ if caption not in captions:
+ break
+ inc += 1
+ # notify to users
+ msg = "Found Same Title: Added '_%s'" % str(inc)
+ wx.PostEvent(self, StatusEvent(status=msg))
+ # update data_panel cb
+ pos = data_panel.cb_plotpanel.FindString(str(old_caption))
+ if pos != wx.NOT_FOUND:
+ data_panel.cb_plotpanel.SetString(pos, caption)
+ data_panel.cb_plotpanel.SetStringSelection(caption)
+ # New Caption
+ pane_info.SetTitle(caption)
+ return caption
+
+ def get_paneinfo(self, name):
+ """
+ Get pane Caption from window_name
+
+ :param name: window_name in AuiPaneInfo
+ :returns: AuiPaneInfo of the name
+ """
+ for panel in self.plot_panels.values():
+ if panel.frame.GetTitle() == name:
+ return panel.frame
+ return None
+
+ def enable_undo(self):
+ """
+ enable undo related control
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_undo(self.cpanel_on_focus)
+
+ def enable_redo(self):
+ """
+ enable redo
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_redo(self.cpanel_on_focus)
+
+ def enable_copy(self):
+ """
+ enable copy related control
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_copy(self.cpanel_on_focus)
+
+ def enable_paste(self):
+ """
+ enable paste
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_paste(self.cpanel_on_focus)
+
+ def enable_bookmark(self):
+ """
+ Bookmark
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_bookmark(self.cpanel_on_focus)
+
+ def enable_save(self):
+ """
+ save
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_save(self.cpanel_on_focus)
+
+ def enable_preview(self):
+ """
+ preview
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_preview(self.cpanel_on_focus)
+
+ def enable_print(self):
+ """
+ print
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_print(self.cpanel_on_focus)
+
+ def enable_zoom(self):
+ """
+ zoom
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_zoom(self.panel_on_focus)
+
+ def enable_zoom_in(self):
+ """
+ zoom in
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_zoom_in(self.panel_on_focus)
+
+ def enable_zoom_out(self):
+ """
+ zoom out
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_zoom_out(self.panel_on_focus)
+
+ def enable_drag(self, event=None):
+ """
+ drag
+ """
+ # Not implemeted
+
+ def enable_reset(self):
+ """
+ reset the current panel
+ """
+ if self.cpanel_on_focus is not None:
+ self._toolbar.enable_reset(self.panel_on_focus)
+
+ def get_toolbar_height(self):
+ """
+ """
+ size_y = 0
+ if self.GetToolBar() is not None and self.GetToolBar().IsShown():
+ if not IS_LINUX:
+ _, size_y = self.GetToolBar().GetSizeTuple()
+ return size_y
+
+ def set_schedule_full_draw(self, panel=None, func='del'):
+ """
+ Add/subtract the schedule full draw list with the panel given
+
+ :param panel: plot panel
+ :param func: append or del [string]
+ """
+
+ # append this panel in the schedule list if not in yet
+ if func == 'append':
+ if panel not in self.schedule_full_draw_list:
+ self.schedule_full_draw_list.append(panel)
+ # remove this panel from schedule list
+ elif func == 'del':
+ if len(self.schedule_full_draw_list) > 0:
+ if panel in self.schedule_full_draw_list:
+ self.schedule_full_draw_list.remove(panel)
+
+ # reset the schdule
+ if len(self.schedule_full_draw_list) == 0:
+ self.schedule = False
+ else:
+ self.schedule = True
+
+ def full_draw(self):
+ """
+ Draw the panels with axes in the schedule to full dwar list
+ """
+
+ count = len(self.schedule_full_draw_list)
+ # if not self.schedule:
+ if count < 1:
+ self.set_schedule(False)
+ return
+
+ else:
+ ind = 0
+ # if any of the panel is shown do full_draw
+ for panel in self.schedule_full_draw_list:
+ ind += 1
+ if panel.frame.IsShown():
+ break
+ # otherwise, return
+ if ind == count:
+ return
+ # Simple redraw only for a panel shown
+
+ def f_draw(panel):
+ """
+ Draw A panel in the full draw list
+ """
+ try:
+ # This checking of GetCapture is to stop redrawing
+ # while any panel is capture.
+ frame = panel.frame
+
+ if not frame.GetCapture():
+ # draw if possible
+ panel.set_resizing(False)
+ # panel.Show(True)
+ panel.draw_plot()
+ # Check if the panel is not shown
+ flag = frame.IsShown()
+ frame.Show(flag)
+ except:
+ pass
+
+ # Draw all panels
+ if count == 1:
+ f_draw(self.schedule_full_draw_list[0])
+ else:
+ map(f_draw, self.schedule_full_draw_list)
+ # Reset the attr
+ if len(self.schedule_full_draw_list) == 0:
+ self.set_schedule(False)
+ else:
+ self.set_schedule(True)
+
+ def set_schedule(self, schedule=False):
+ """
+ Set schedule
+ """
+ self.schedule = schedule
+
+ def get_schedule(self):
+ """
+ Get schedule
+ """
+ return self.schedule
+
+ def on_set_plot_focus(self, panel):
+ """
+ Set focus on a plot panel
+ """
+ if panel is None:
+ return
+ # self.set_plot_unfocus()
+ panel.on_set_focus(None)
+ # set focusing panel
+ self.panel_on_focus = panel
+ self.set_panel_on_focus(None)
+
+ def set_plot_unfocus(self):
+ """
+ Un focus all plot panels
+ """
+ for plot in self.plot_panels.values():
+ plot.on_kill_focus(None)
+
+ def get_window_size(self):
+ """
+ Get window size
+
+ :returns: size
+ :rtype: tuple
+ """
+ width, height = self.GetSizeTuple()
+ if not IS_WIN:
+ # Subtract toolbar height to get real window side
+ if self._toolbar.IsShown():
+ height -= 45
+ return (width, height)
+
+ def _onDrawIdle(self, *args, **kwargs):
+ """
+ ReDraw with axes
+ """
+ try:
+ # check if it is time to redraw
+ if self.GetCapture() is None:
+ # Draw plot, changes resizing too
+ self.full_draw()
+ except:
+ pass
+
+ # restart idle
+ self._redraw_idle(*args, **kwargs)
+
+ def _redraw_idle(self, *args, **kwargs):
+ """
+ Restart Idle
+ """
+ # restart idle
+ self.idletimer.Restart(100 * TIME_FACTOR, *args, **kwargs)
+
+
+class DefaultPanel(wx.Panel, PanelBase):
+ """
+ Defines the API for a panels to work with
+ the GUI manager
+ """
+ # Internal nickname for the window, used by the AUI manager
+ window_name = "default"
+ # Name to appear on the window title bar
+ window_caption = "Welcome panel"
+ # Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+ def __init__(self, parent, *args, **kwds):
+ wx.Panel.__init__(self, parent, *args, **kwds)
+ PanelBase.__init__(self, parent)
+
+
+class SasViewApp(wx.App):
+ """
+ SasView application
+ """
+ def OnInit(self):
+ """
+ When initialised
+ """
+ pos, size, self.is_max = self.window_placement((GUIFRAME_WIDTH,
+ GUIFRAME_HEIGHT))
+ self.frame = ViewerFrame(parent=None,
+ title=APPLICATION_NAME,
+ pos=pos,
+ gui_style=DEFAULT_STYLE,
+ size=size)
+ self.frame.Hide()
+ if not IS_WIN:
+ self.frame.EnableCloseButton(False)
+ self.s_screen = None
+
+ try:
+ self.open_file()
+ except:
+ msg = "%s Could not load " % str(APPLICATION_NAME)
+ msg += "input file from command line.\n"
+ logging.error(msg)
+ # Display a splash screen on top of the frame.
+ try:
+ if os.path.isfile(SPLASH_SCREEN_PATH):
+ self.s_screen = \
+ self.display_splash_screen(parent=self.frame,
+ path=SPLASH_SCREEN_PATH)
+ else:
+ self.frame.Show()
+ except:
+ if self.s_screen is not None:
+ self.s_screen.Close()
+ msg = "Cannot display splash screen\n"
+ msg += str(sys.exc_value)
+ logging.error(msg)
+ self.frame.Show()
+
+ self.SetTopWindow(self.frame)
+
+ return True
+
+ def maximize_win(self):
+ """
+ Maximize the window after the frame shown
+ """
+ if self.is_max:
+ if self.frame.IsShown():
+ # Max window size
+ self.frame.Maximize(self.is_max)
+
+ def open_file(self):
+ """
+ open a state file at the start of the application
+ """
+ input_file = None
+ if len(sys.argv) >= 2:
+ cmd = sys.argv[0].lower()
+ basename = os.path.basename(cmd)
+ app_base = str(APPLICATION_NAME).lower()
+ if os.path.isfile(cmd) or basename.lower() == app_base:
+ app_py = app_base + '.py'
+ app_exe = app_base + '.exe'
+ app_app = app_base + '.app'
+ if basename.lower() in [app_py, app_exe, app_app, app_base]:
+ data_base = sys.argv[1]
+ input_file = os.path.normpath(os.path.join(DATAPATH,
+ data_base))
+ if input_file is None:
+ return
+ if self.frame is not None:
+ self.frame.set_input_file(input_file=input_file)
+
+ def clean_plugin_models(self, path):
+ """
+ Delete plugin models in app folder
+
+ :param path: path of the plugin_models folder in app
+ """
+ # do it only the first time app loaded
+ # delete unused model folder
+ model_folder = os.path.join(PATH_APP, path)
+ if os.path.exists(model_folder) and os.path.isdir(model_folder):
+ if len(os.listdir(model_folder)) > 0:
+ try:
+ for filename in os.listdir(model_folder):
+ file_path = os.path.join(model_folder, filename)
+ if os.path.isfile(file_path):
+ os.remove(file_path)
+ except:
+ logging.error("gui_manager.clean_plugin_models:\n %s"
+ % sys.exc_value)
+
+ def set_manager(self, manager):
+ """
+ Sets a reference to the application manager
+ of the GUI manager (Frame)
+ """
+ self.frame.set_manager(manager)
+
+ def build_gui(self):
+ """
+ Build the GUI
+ """
+ # try to load file at the start
+ self.open_file()
+ self.frame.build_gui()
+
+ def set_welcome_panel(self, panel_class):
+ """
+ Set the welcome panel
+
+ :param panel_class: class of the welcome panel to be instantiated
+
+ """
+ self.frame.welcome_panel_class = panel_class
+
+ def add_perspective(self, perspective):
+ """
+ Manually add a perspective to the application GUI
+ """
+ self.frame.add_perspective(perspective)
+
+ def window_placement(self, size):
+ """
+ Determines the position and size of the application frame such that it
+ fits on the user's screen without obstructing (or being obstructed by)
+ the Windows task bar. The maximum initial size in pixels is bounded by
+ WIDTH x HEIGHT. For most monitors, the application
+ will be centered on the screen; for very large monitors it will be
+ placed on the left side of the screen.
+ """
+ is_maximized = False
+ # Get size of screen without
+ for screenCount in range(wx.Display().GetCount()):
+ screen = wx.Display(screenCount)
+ if screen.IsPrimary():
+ displayRect = screen.GetClientArea()
+ break
+
+ posX, posY, displayWidth, displayHeight = displayRect
+ customWidth, customHeight = size
+
+ # If the custom size is default, set 90% of the screen size
+ if customWidth <= 0 and customHeight <= 0:
+ if customWidth == 0 and customHeight == 0:
+ is_maximized = True
+ customWidth = displayWidth * 0.9
+ customHeight = displayHeight * 0.9
+ else:
+ # If the custom screen is bigger than the
+ # window screen than make maximum size
+ if customWidth > displayWidth:
+ customWidth = displayWidth
+ if customHeight > displayHeight:
+ customHeight = displayHeight
+
+ # Note that when running Linux and using an Xming (X11) server on a PC
+ # with a dual monitor configuration, the reported display size may be
+ # that of both monitors combined with an incorrect display count of 1.
+ # To avoid displaying this app across both monitors, we check for
+ # screen 'too big'. If so, we assume a smaller width which means the
+ # application will be placed towards the left hand side of the screen.
+
+ # If dual screen registered as 1 screen. Make width half.
+ # MAC just follows the default behavior of pos
+ if IS_WIN:
+ if displayWidth > (displayHeight * 2):
+ if customWidth == displayWidth:
+ customWidth = displayWidth / 2
+ # and set the position to be the corner of the screen.
+ posX = 0
+ posY = 0
+
+ # Make the position the middle of the screen. (Not 0,0)
+ else:
+ posX = (displayWidth - customWidth) / 2
+ posY = (displayHeight - customHeight) / 2
+ # Return the suggested position and size for the application frame.
+ return (posX, posY), (customWidth, customHeight), is_maximized
+
+ def display_splash_screen(self, parent,
+ path=SPLASH_SCREEN_PATH):
+ """Displays the splash screen. It will exactly cover the main frame."""
+
+ # Prepare the picture. On a 2GHz intel cpu, this takes about a second.
+ image = wx.Image(path, wx.BITMAP_TYPE_PNG)
+ image.Rescale(SPLASH_SCREEN_WIDTH,
+ SPLASH_SCREEN_HEIGHT, wx.IMAGE_QUALITY_HIGH)
+ bm = image.ConvertToBitmap()
+
+ # Create and show the splash screen. It will disappear only when the
+ # program has entered the event loop AND either the timeout has expired
+ # or the user has left clicked on the screen. Thus any processing
+ # performed in this routine (including sleeping) or processing in the
+ # calling routine (including doing imports) will prevent the splash
+ # screen from disappearing.
+ #
+ # Note that on Linux, the timeout appears to occur immediately in which
+ # case the splash screen disappears upon entering the event loop.
+ s_screen = wx.SplashScreen(bitmap=bm,
+ splashStyle=(wx.SPLASH_TIMEOUT |
+ wx.SPLASH_CENTRE_ON_SCREEN),
+ style=(wx.SIMPLE_BORDER |
+ wx.FRAME_NO_TASKBAR |
+ wx.FRAME_FLOAT_ON_PARENT),
+ milliseconds=SS_MAX_DISPLAY_TIME,
+ parent=parent,
+ id=wx.ID_ANY)
+ from sas.sasgui.guiframe.gui_statusbar import SPageStatusbar
+ statusBar = SPageStatusbar(s_screen)
+ s_screen.SetStatusBar(statusBar)
+ s_screen.Bind(wx.EVT_CLOSE, self.on_close_splash_screen)
+ s_screen.Show()
+ return s_screen
+
+ def on_close_splash_screen(self, event):
+ """
+ When the splash screen is closed.
+ """
+ self.frame.Show(True)
+ event.Skip()
+ self.maximize_win()
+
+
+class MDIFrame(CHILD_FRAME):
+ """
+ Frame for panels
+ """
+ def __init__(self, parent, panel, title="Untitled", size=(300, 200)):
+ """
+ comment
+ :param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ CHILD_FRAME.__init__(self, parent=parent, id=wx.ID_ANY,
+ title=title, size=size)
+ self.parent = parent
+ self.name = "Untitled"
+ self.batch_on = self.parent.batch_on
+ self.panel = panel
+ if panel is not None:
+ self.set_panel(panel)
+ self.Show(False)
+
+ def show_data_panel(self, action):
+ """
+ Turns on the data panel
+
+ The the data panel is optional. Most of its functions can be
+ performed from the menu bar and from the plots.
+ """
+ self.parent.show_data_panel(action)
+
+ def set_panel(self, panel):
+ """
+ """
+ self.panel = panel
+ self.name = panel.window_name
+ self.SetTitle(panel.window_caption)
+ self.SetHelpText(panel.help_string)
+ width, height = self.parent._get_panels_size(panel)
+ if hasattr(panel, "CENTER_PANE") and panel.CENTER_PANE:
+ width *= 0.6
+ self.SetSize((width, height))
+ self.parent.put_icon(self)
+ self.Bind(wx.EVT_SET_FOCUS, self.set_panel_focus)
+ self.Bind(wx.EVT_CLOSE, self.OnClose)
+ self.Show(False)
+
+ def set_panel_focus(self, event):
+ """
+ """
+ if self.parent.panel_on_focus != self.panel:
+ self.panel.SetFocus()
+ self.parent.panel_on_focus = self.panel
+
+ def OnClose(self, event):
+ """
+ On Close event
+ """
+ self.panel.on_close(event)
+
+if __name__ == "__main__":
+ app = SasViewApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/gui_statusbar.py b/src/sas/sasgui/guiframe/gui_statusbar.py
new file mode 100644
index 0000000..ea53546
--- /dev/null
+++ b/src/sas/sasgui/guiframe/gui_statusbar.py
@@ -0,0 +1,458 @@
+"""
+Defines and draws the status bar that should appear along the bottom of the
+main SasView window.
+"""
+import wx
+import sys
+import logging
+import datetime
+from wx import StatusBar as wxStatusB
+from wx.lib import newevent
+import wx.richtext
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ICON
+
+# Number of fields on the status bar
+NB_FIELDS = 4
+#position of the status bar's fields
+ICON_POSITION = 0
+MSG_POSITION = 1
+GAUGE_POSITION = 2
+CONSOLE_POSITION = 3
+BUTTON_SIZE = 40
+STATUS_BAR_ICON_SIZE = 12
+CONSOLE_WIDTH = 500
+CONSOLE_HEIGHT = 300
+
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+else:
+ FONT_VARIANT = 1
+
+GREEN = wx.Colour(95, 190, 95)
+YELLOW = wx.Colour(247, 214, 49)
+RED = wx.Colour(234, 89, 78)
+
+class ConsolePanel(wx.Panel):
+ """
+ Interaction class for adding messages to the Console log.
+ """
+ def __init__(self, parent, *args, **kwargs):
+ wx.Panel.__init__(self, parent=parent, *args, **kwargs)
+ self.parent = parent
+ self.sizer = wx.BoxSizer(wx.VERTICAL)
+
+ self.msg_txt = wx.richtext.RichTextCtrl(self, size=(CONSOLE_WIDTH-40,
+ CONSOLE_HEIGHT-60),
+ style=wx.VSCROLL|wx.HSCROLL|wx.NO_BORDER)
+
+ self.msg_txt.SetEditable(False)
+ timestamp = datetime.datetime.now()
+ status = '{:%Y-%m-%d %H:%M:%S} : No message available'.format(timestamp)
+ self.msg_txt.SetValue(status)
+ self.sizer.Add(self.msg_txt, 1, wx.EXPAND|wx.ALL, 10)
+ self.SetSizer(self.sizer)
+
+ def set_message(self, status="", event=None):
+ """
+ Adds a message to the console log as well as the main sasview.log
+
+ :param status: A status message to be sent to the console log.
+ :param event: A wx event.
+ """
+ status = str(status)
+ if status.strip() == "":
+ return
+ # Add timestamp
+ timestamp = datetime.datetime.now()
+ status = '{:%Y-%m-%d %H:%M:%S} : '.format(timestamp) + status
+ color = (0, 0, 0) #black
+ icon_bmp = wx.ArtProvider.GetBitmap(wx.ART_INFORMATION, wx.ART_TOOLBAR)
+ if hasattr(event, "info"):
+ icon_type = event.info.lower()
+ if icon_type == "warning":
+ logging.warning(status)
+ color = (0, 0, 255) # blue
+ icon_bmp = wx.ArtProvider.GetBitmap(wx.ART_WARNING,
+ wx.ART_TOOLBAR)
+ if icon_type == "error":
+ logging.error(status)
+ color = (255, 0, 0) # red
+ icon_bmp = wx.ArtProvider.GetBitmap(wx.ART_ERROR,
+ wx.ART_TOOLBAR)
+ if icon_type == "info":
+ icon_bmp = wx.ArtProvider.GetBitmap(wx.ART_INFORMATION,
+ wx.ART_TOOLBAR)
+ self.msg_txt.Newline()
+ self.msg_txt.WriteBitmap(icon_bmp)
+ self.msg_txt.BeginTextColour(color)
+ self.msg_txt.WriteText("\t")
+ self.msg_txt.AppendText(status)
+ self.msg_txt.EndTextColour()
+
+
+class Console(wx.Frame):
+ """
+ The main class defining the Console window.
+ """
+ def __init__(self, parent=None, status="", *args, **kwds):
+ kwds["size"] = (CONSOLE_WIDTH, CONSOLE_HEIGHT)
+ kwds["title"] = "Console"
+ wx.Frame.__init__(self, parent=parent, *args, **kwds)
+ self.SetWindowVariant(FONT_VARIANT)
+ self.panel = ConsolePanel(self)
+ self.panel.set_message(status=status)
+ wx.EVT_CLOSE(self, self.Close)
+
+ def set_multiple_messages(self, messages=[]):
+ """
+ Method to send an arbitrary number of messages to the console log
+
+ :param messages: A list of strings to be sent to the console log.
+ """
+ if messages:
+ for status in messages:
+ self.panel.set_message(status=status)
+
+ def set_message(self, status, event=None):
+ """
+ Exposing the base ConsolePanel set_message
+
+ :param status: A status message to be sent to the console log.
+ :param event: A wx event.
+ """
+ self.panel.set_message(status=str(status), event=event)
+
+ def Close(self, event):
+ """
+ Calling close on the panel will hide the panel.
+
+ :param event: A wx event.
+ """
+ self.Hide()
+
+class StatusBar(wxStatusB):
+ """
+ Application status bar
+ """
+ def __init__(self, parent, id):
+ wxStatusB.__init__(self, parent, id)
+ self.parent = parent
+ self.parent.SetStatusBarPane(MSG_POSITION)
+
+ #Layout of status bar
+ width = STATUS_BAR_ICON_SIZE
+ height = STATUS_BAR_ICON_SIZE
+ self.SetFieldsCount(NB_FIELDS)
+ # Leave some space for the resize handle in the last field
+ console_btn_width = 80
+ self.SetStatusWidths([width+4, -2, -1, width+console_btn_width])
+ self.SetMinHeight(height + 10)
+
+ #display default message
+ self.msg_position = MSG_POSITION
+
+ # Create progress bar
+ gauge_width = 5 * width
+ self.gauge = wx.Gauge(self, size=(gauge_width, height),
+ style=wx.GA_HORIZONTAL)
+ self.gauge.Hide()
+
+ # Create status bar icon reflecting the type of status
+ # for the last message
+ self.status_color = wx.StaticText(self, id=wx.NewId(), label=" ",
+ size=wx.Size(15, 15))
+ self.status_color.SetBackgroundColour(GREEN)
+ self.status_color.SetForegroundColour(GREEN)
+
+ # Create the button used to show the console dialog
+ self.console_button = wx.Button(self, wx.NewId(), "Console",
+ size=(console_btn_width, -1))
+ font = self.console_button.GetFont()
+ _, pixel_h = font.GetPixelSize()
+ font.SetPixelSize(wx.Size(0, int(pixel_h*0.9)))
+ self.console_button.SetFont(font)
+ self.console_button.SetToolTipString("History of status bar messages")
+ self.console_button.Bind(wx.EVT_BUTTON, self._onMonitor,
+ id=self.console_button.GetId())
+
+ self.reposition()
+ ## Current progress value of the bar
+ self.nb_start = 0
+ self.nb_progress = 0
+ self.nb_stop = 0
+ self.frame = None
+ self.list_msg = []
+ self.frame = Console(parent=self)
+ if hasattr(self.frame, "IsIconized"):
+ if not self.frame.IsIconized():
+ try:
+ icon = self.parent.GetIcon()
+ self.frame.SetIcon(icon)
+ except:
+ try:
+ FRAME_ICON = wx.Icon(GUIFRAME_ICON.FRAME_ICON_PATH,
+ wx.BITMAP_TYPE_ICO)
+ self.frame.SetIcon(FRAME_ICON)
+ except:
+ pass
+ self.frame.set_multiple_messages(self.list_msg)
+ self.frame.Hide()
+ self.progress = 0
+ self.timer = wx.Timer(self, -1)
+ self.timer_stop = wx.Timer(self, -1)
+ self.thread = None
+ self.Bind(wx.EVT_TIMER, self._on_time, self.timer)
+ self.Bind(wx.EVT_TIMER, self._on_time_stop, self.timer_stop)
+ self.Bind(wx.EVT_SIZE, self.on_size)
+ self.Bind(wx.EVT_IDLE, self.on_idle)
+
+ def reposition(self):
+ """
+ Place the various fields in their proper position
+ """
+ rect = self.GetFieldRect(GAUGE_POSITION)
+ self.gauge.SetPosition((rect.x, rect.y))
+ rect = self.GetFieldRect(ICON_POSITION)
+ self.status_color.SetPosition((rect.x, rect.y))
+ rect = self.GetFieldRect(CONSOLE_POSITION)
+ self.console_button.SetPosition((rect.x, rect.y))
+ self.size_changed = False
+
+ def on_idle(self, event):
+ """
+ When the window is idle, check if the window has been resized
+ """
+ if self.size_changed:
+ self.reposition()
+
+ def on_size(self, evt):
+ """
+ If the window is resized, redraw the window.
+ """
+ self.reposition()
+ self.size_changed = True
+
+ def get_msg_position(self):
+ """
+ Get the last known message that was displayed on the console window.
+ """
+ return self.msg_position
+
+ def SetStatusText(self, text="", number=MSG_POSITION, event=None):
+ """
+ Set the text that will be displayed in the status bar.
+ """
+ wxStatusB.SetStatusText(self, text.split('\n', 1)[0], number)
+ self.list_msg.append(text)
+ self.status_color.SetBackgroundColour(GREEN)
+ self.status_color.SetForegroundColour(GREEN)
+
+ if self.frame is not None:
+ self.frame.set_message(status=text, event=event)
+
+ def PopStatusText(self, *args, **kwds):
+ """
+ Override status bar
+ """
+ wxStatusB.PopStatusText(self, field=MSG_POSITION)
+
+ def PushStatusText(self, *args, **kwds):
+ """
+ PushStatusText
+ """
+ text = "PushStatusText: What is this string?"
+ wxStatusB.PushStatusText(self, field=MSG_POSITION, string=text)
+
+ def enable_clear_gauge(self):
+ """
+ clear the progress bar
+ """
+ flag = True
+ # Why we do this?
+ #if (self.nb_start <= self.nb_stop) or \
+ # (self.nb_progress <= self.nb_stop):
+ # flag = True
+ return flag
+
+ def _on_time_stop(self, evt):
+ """
+ Clear the progress bar
+
+ :param evt: wx.EVT_TIMER
+ """
+ count = 0
+ while count <= 100:
+ count += 1
+ self.timer_stop.Stop()
+ self.clear_gauge(msg="")
+ self.nb_progress = 0
+ self.nb_start = 0
+ self.nb_stop = 0
+
+ def _on_time(self, evt):
+ """
+ Update the progress bar while the timer is running
+
+ :param evt: wx.EVT_TIMER
+ """
+ # Check stop flag that can be set from non main thread
+ if self.timer.IsRunning():
+ self.gauge.Pulse()
+
+ def clear_gauge(self, msg=""):
+ """
+ Hide the gauge
+ """
+ self.progress = 0
+ self.gauge.SetValue(0)
+ self.gauge.Hide()
+
+ def set_icon(self, event):
+ """
+ Display icons related to the type of message sent to the statusbar
+ when available. No icon is displayed if the message is empty
+ """
+ if hasattr(event, "status"):
+ status = str(event.status)
+ if status.strip() == "":
+ return
+ else:
+ return
+ if not hasattr(event, "info"):
+ return
+
+ # Get the size of the button images
+ height = STATUS_BAR_ICON_SIZE
+
+ msg = event.info.lower()
+ if msg == "warning":
+ self.status_color.SetBackgroundColour(YELLOW)
+ self.status_color.SetForegroundColour(YELLOW)
+ elif msg == "error":
+ self.status_color.SetBackgroundColour(RED)
+ self.status_color.SetForegroundColour(RED)
+ else:
+ self.status_color.SetBackgroundColour(GREEN)
+ self.status_color.SetForegroundColour(GREEN)
+
+ def set_dialog(self, event):
+ """
+ Display dialogbox
+ """
+ if not hasattr(event, "info"):
+ return
+ msg = event.info.lower()
+ if msg == "error":
+ e_msg = "Error(s) Occurred:\n"
+ e_msg += "\t" + event.status + "\n\n"
+ e_msg += "Further information might be available in "
+ e_msg += "the Console log (bottom right corner)."
+ wx.MessageBox(e_msg, style=wx.ICON_ERROR)
+
+ def set_message(self, event):
+ """
+ display received message on the statusbar
+ """
+ if hasattr(event, "status"):
+ self.SetStatusText(text=str(event.status), event=event)
+
+ def set_gauge(self, event):
+ """
+ change the state of the gauge according the state of the current job
+ """
+ if not hasattr(event, "type"):
+ return
+ type = event.type
+ self.gauge.Show(True)
+ if type.lower() == "start":
+ self.nb_start += 1
+ #self.timer.Stop()
+ self.progress += 5
+ self.gauge.SetValue(int(self.progress))
+ self.progress += 5
+ if self.progress < self.gauge.GetRange() - 20:
+ self.gauge.SetValue(int(self.progress))
+ if type.lower() == "progress":
+ self.nb_progress += 1
+ self.timer.Start(1)
+ self.gauge.Pulse()
+ if type.lower() == "update":
+ self.progress += 5
+ if self.progress < self.gauge.GetRange()- 20:
+ self.gauge.SetValue(int(self.progress))
+ if type.lower() == "stop":
+ self.nb_stop += 1
+ self.gauge.Show(True)
+ if self.enable_clear_gauge():
+ self.timer.Stop()
+ self.progress = 0
+ self.gauge.SetValue(100)
+ self.timer_stop.Start(5)
+
+ def set_status(self, event):
+ """
+ Update the status bar .
+
+ :param type: type of message send.
+ type must be in ["start","progress","update","stop"]
+ :param msg: the message itself as string
+ :param thread: if updatting using a thread status
+
+ """
+ self.set_message(event=event)
+ self.set_icon(event=event)
+ self.set_gauge(event=event)
+ # dialog on error
+ self.set_dialog(event=event)
+
+ def _onMonitor(self, event):
+ """
+ Pop up a frame with messages sent to the status bar
+ """
+ self.frame.Show(False)
+ self.frame.Show(True)
+
+
+class SPageStatusbar(wxStatusB):
+ def __init__(self, parent, timeout=None, *args, **kwds):
+ wxStatusB.__init__(self, parent, *args, **kwds)
+ self.SetFieldsCount(1)
+ self.timeout = timeout
+ width, height = parent.GetSizeTuple()
+ self.gauge = wx.Gauge(self, style=wx.GA_HORIZONTAL,
+ size=(width, height/10))
+ rect = self.GetFieldRect(0)
+ self.gauge.SetPosition((rect.x , rect.y ))
+ if self.timeout is not None:
+ self.gauge.SetRange(int(self.timeout))
+ self.timer = wx.Timer(self, -1)
+ self.Bind(wx.EVT_TIMER, self._on_time, self.timer)
+ self.timer.Start(1)
+ self.pos = 0
+
+ def _on_time(self, evt):
+ """
+ Update the progress bar while the timer is running
+
+ :param evt: wx.EVT_TIMER
+
+ """
+ # Check stop flag that can be set from non main thread
+ if self.timeout is None and self.timer.IsRunning():
+ self.gauge.Pulse()
+
+
+if __name__ == "__main__":
+ app = wx.PySimpleApp()
+ frame = wx.Frame(None, wx.ID_ANY, 'test frame')
+ #statusBar = StatusBar(frame, wx.ID_ANY)
+ statusBar = SPageStatusbar(frame)
+ frame.SetStatusBar(statusBar)
+ frame.Show(True)
+ #event = MessageEvent()
+ #event.type = "progress"
+ #event.status = "statusbar...."
+ #event.info = "error"
+ #statusBar.set_status(event=event)
+ app.MainLoop()
+
diff --git a/src/sas/sasgui/guiframe/gui_style.py b/src/sas/sasgui/guiframe/gui_style.py
new file mode 100644
index 0000000..6eeae3f
--- /dev/null
+++ b/src/sas/sasgui/guiframe/gui_style.py
@@ -0,0 +1,90 @@
+
+"""
+Provide the style for guiframe
+"""
+import wx
+import os
+from sas.sasgui.guiframe import get_data_path
+
+
+class GUIFRAME:
+ MANAGER_ON = 1
+ FLOATING_PANEL = 2
+ FIXED_PANEL = 4
+ PLOTTING_ON = 8
+ DATALOADER_ON = 16
+ TOOLBAR_ON = 32
+ CALCULATOR_ON = 256
+ SINGLE_APPLICATION = 64
+ WELCOME_PANEL_ON = 128
+ DEFAULT_STYLE = SINGLE_APPLICATION|DATALOADER_ON|PLOTTING_ON|FIXED_PANEL
+ MULTIPLE_APPLICATIONS = DEFAULT_STYLE
+
+class GUIFRAME_ID:
+ UNDO_ID = wx.NewId()
+ REDO_ID = wx.NewId()
+ COPY_ID = wx.NewId()
+ PASTE_ID = wx.NewId()
+ BOOKMARK_ID = wx.NewId()
+ SAVE_ID = wx.NewId()
+ ZOOM_IN_ID = wx.NewId()
+ ZOOM_OUT_ID = wx.NewId()
+ ZOOM_ID = wx.NewId()
+ DRAG_ID = wx.NewId()
+ RESET_ID = wx.NewId()
+ PREVIEW_ID = wx.NewId()
+ PRINT_ID = wx.NewId()
+ CURRENT_APPLICATION = wx.NewId()
+ CURVE_SYMBOL_NUM = 13
+ COPYEX_ID = wx.NewId()
+ COPYLAT_ID = wx.NewId()
+ COPYAS_ID = wx.NewId()
+
+
+class GUIFRAME_ICON:
+ PATH = get_data_path(media='images')
+ FRAME_ICON_PATH = os.path.join(PATH, 'ball.ico')
+ SAVE_ICON_PATH = os.path.join(PATH, 'save.png')
+ UNDO_ICON_PATH = os.path.join(PATH, 'undo.png')
+ REDO_ICON_PATH = os.path.join(PATH, 'redo.png')
+ COPY_ICON_PATH = os.path.join(PATH, 'copy.png')
+ PASTE_ICON_PATH = os.path.join(PATH, 'paste.png')
+ BOOKMARK_ICON_PATH = os.path.join(PATH, 'bookmark.png')
+ ZOOM_IN_ID_PATH = os.path.join(PATH, 'zoom_in.png')
+ ZOOM_OUT_ID_PATH = os.path.join(PATH, 'zoom_out.png')
+ ZOOM_ID_PATH = os.path.join(PATH, 'search_pan.png')
+ DRAG_ID_PATH = os.path.join(PATH, 'drag_hand.png')
+ RESET_ID_PATH = os.path.join(PATH, 'reset.png')
+ PREVIEW_ID_PATH = os.path.join(PATH, 'report.png')
+ PRINT_ID_PATH = os.path.join(PATH, 'printer.png')
+ HIDE_ID_PATH = os.path.join(PATH, 'hide.png')
+
+
+ SAVE_ICON = wx.Image(os.path.join(PATH, 'save.png'))
+ UNDO_ICON = wx.Image(os.path.join(PATH, 'undo.png'))
+ REDO_ICON = wx.Image(os.path.join(PATH, 'redo.png'))
+ COPY_ICON = wx.Image(os.path.join(PATH, 'copy.png'))
+ PASTE_ICON = wx.Image(os.path.join(PATH, 'paste.png'))
+ BOOKMARK_ICON = wx.Image(os.path.join(PATH, 'bookmark.png'))
+ ZOOM_IN_ICON = wx.Image(os.path.join(PATH, 'zoom_in.png'))
+ ZOOM_OUT_ICON = wx.Image(os.path.join(PATH, 'zoom_out.png'))
+ ZOOM_ICON = wx.Image(os.path.join(PATH, 'search_pan.png'))
+ DRAG_ICON = wx.Image(os.path.join(PATH, 'drag_hand.png'))
+ RESET_ICON = wx.Image(os.path.join(PATH, 'reset.png'))
+ REPORT_ICON = wx.Image(os.path.join(PATH, 'report.png'))
+ PREVIEW_ICON = wx.Image(os.path.join(PATH, 'preview.png'))
+ PRINT_ICON = wx.Image(os.path.join(PATH, 'printer.png'))
+ HIDE_ICON = wx.Image(os.path.join(PATH, 'hide.png'))
+
+if __name__ == "__main__":
+
+ print GUIFRAME.DEFAULT_STYLE
+ print GUIFRAME.FLOATING_PANEL
+ print GUIFRAME.SINGLE_APPLICATION
+ style = GUIFRAME.MULTIPLE_APPLICATIONS
+ style &= GUIFRAME.PLOTTING_ON
+ print style == GUIFRAME.PLOTTING_ON
+ style1 = GUIFRAME.MULTIPLE_APPLICATIONS
+ style1 &= (~GUIFRAME.MANAGER_ON)
+ print style1 == GUIFRAME.DEFAULT_STYLE
+ print style1
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/gui_toolbar.py b/src/sas/sasgui/guiframe/gui_toolbar.py
new file mode 100644
index 0000000..9685254
--- /dev/null
+++ b/src/sas/sasgui/guiframe/gui_toolbar.py
@@ -0,0 +1,279 @@
+
+import wx
+import os
+from wx import ToolBar as Tbar
+from wx.lib.platebtn import PlateButton
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ICON
+from wx.lib.platebtn import PB_STYLE_DEFAULT, PB_STYLE_DROPARROW,PB_STYLE_NOBG
+#Control panel width
+import sys
+if sys.platform.count("darwin")==0:
+ FONT_VARIANT = 0
+ NAME_BOX = wx.DefaultSize
+ TB_H = 21
+ IS_MAC = False
+else:
+ FONT_VARIANT = 1
+ NAME_BOX = (200, 25)
+ TB_H = 25
+ IS_MAC = True
+
+def clear_image(image):
+ w, h = image.GetSize()
+ factor = 155
+ compress = lambda x: int(x * factor/255.) + factor
+ for y in range(h):
+ for x in range(w):
+ grey = compress(image.GetGreen(x, y))
+ image.SetRGB(x, y, grey, grey, grey)
+ if image.HasAlpha():
+ image.ConvertAlphaToMask()
+ return image
+
+class GUIToolBar(Tbar):
+ """
+ Implement toolbar for guiframe
+ """
+ ID_BOOKMARK = wx.NewId()
+ def __init__(self, parent, *args, **kwds):
+ Tbar.__init__(self, parent, *args, **kwds)
+ #Set window's font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.parent = parent
+ self._bookmark_menu = None
+ self._bookmark_bt = None
+ self.do_layout()
+ self.on_bind_button()
+
+ def do_layout(self):
+ """
+ """
+ t_size = TB_H
+ tbar_size = (t_size, t_size)
+ button_type = wx.ITEM_NORMAL
+
+ reset_im = GUIFRAME_ICON.RESET_ICON
+ reset_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ reset_bmp = reset_im.ConvertToBitmap()
+ #disable_reset_bmp = clear_image(reset_im).ConvertToBitmap()
+ disable_reset_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.RESET_ID, 'Reset', reset_bmp,
+ disable_reset_bmp, button_type,'Reset')
+ self.AddSeparator()
+ save_im = GUIFRAME_ICON.SAVE_ICON
+ save_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ save_bmp = save_im.ConvertToBitmap()
+ disable_save_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.SAVE_ID, 'Save', save_bmp,
+ disable_save_bmp, button_type,'Save')
+ self.AddSeparator()
+ report_im = GUIFRAME_ICON.REPORT_ICON
+ report_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ report_bmp = report_im.ConvertToBitmap()
+ #disable_report_bmp = clear_image(report_im).ConvertToBitmap()
+ disable_report_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.PREVIEW_ID, 'Report', report_bmp,
+ disable_report_bmp, button_type,'Report')
+ self.AddSeparator()
+ undo_im = GUIFRAME_ICON.UNDO_ICON
+ undo_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ undo_bmp = undo_im.ConvertToBitmap()
+ disable_undo_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.UNDO_ID, 'Undo', undo_bmp,
+ disable_undo_bmp, button_type,'Undo')
+ self.AddSeparator()
+ redo_im = GUIFRAME_ICON.REDO_ICON
+ redo_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ redo_bmp = redo_im.ConvertToBitmap()
+ disable_redo_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.REDO_ID, 'Redo', redo_bmp,
+ disable_redo_bmp, button_type,'Redo')
+ self.AddSeparator()
+ copy_im = GUIFRAME_ICON.COPY_ICON
+ copy_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ copy_bmp = copy_im.ConvertToBitmap()
+ disable_copy_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.COPY_ID, 'Copy', copy_bmp,
+ disable_copy_bmp, button_type,'Copy parameter values')
+ self.AddSeparator()
+ paste_im = GUIFRAME_ICON.PASTE_ICON
+ paste_im.Rescale(tbar_size[0], tbar_size[1], wx.IMAGE_QUALITY_HIGH)
+ paste_bmp = paste_im.ConvertToBitmap()
+ disable_paste_bmp = wx.NullBitmap
+ self.AddLabelTool(GUIFRAME_ID.PASTE_ID, 'Paste', paste_bmp,
+ disable_paste_bmp, button_type,'Paste parameter values')
+ self.AddSeparator()
+ self._bookmark_bt = PlateButton(self, -1, 'Bookmarks',
+ GUIFRAME_ICON.BOOKMARK_ICON.ConvertToBitmap(),
+ style=PB_STYLE_DEFAULT|PB_STYLE_DROPARROW|PB_STYLE_NOBG)
+ self._bookmark_bt.SetWindowVariant(FONT_VARIANT)
+ self._bookmark_bt.Disable()
+ self._bookmark_menu = wx.Menu()
+ self.add_bookmark_default()
+ self._bookmark_bt.SetMenu(self._bookmark_menu)
+ self.AddControl(self._bookmark_bt)
+ self.SetToolBitmapSize(tbar_size)
+ self.AddSeparator()
+ #add button for the panel on focus
+ self.button_panel = wx.StaticText(self, -1, 'No Panel',
+ pos=wx.DefaultPosition,
+ size=NAME_BOX,
+ style=wx.SUNKEN_BORDER|wx.ALIGN_LEFT)
+ button_panel_font = self.button_panel.GetFont()
+ button_panel_font.SetWeight(wx.BOLD)
+ self.button_panel.SetFont(button_panel_font)
+ hint = 'Control Panel on Focus'
+ self.button_panel.SetToolTipString(hint)
+ self.AddControl(self.button_panel)
+ self.AddSeparator()
+ self.Realize()
+
+ def add_bookmark_default(self):
+ """
+ Add default items in bookmark menu
+ """
+ self._bookmark_menu.Append(self.ID_BOOKMARK, 'Bookmark This Page State')
+ self._bookmark_menu.AppendSeparator()
+ wx.EVT_MENU(self, self.ID_BOOKMARK, self.on_bookmark)
+
+ def on_bind_button(self):
+ """
+ Bind the buttons
+ """
+ if self.parent is not None:
+
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_redo_panel,
+ id=GUIFRAME_ID.REDO_ID)
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_undo_panel,
+ id=GUIFRAME_ID.UNDO_ID)
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_copy_panel,
+ id=GUIFRAME_ID.COPY_ID)
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_paste_panel,
+ id=GUIFRAME_ID.PASTE_ID)
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_reset_panel,
+ id=GUIFRAME_ID.RESET_ID)
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_save_panel,
+ id=GUIFRAME_ID.SAVE_ID)
+ self.parent.Bind(wx.EVT_TOOL, self.parent.on_preview_panel,
+ id=GUIFRAME_ID.PREVIEW_ID)
+ #self.parent.Bind(wx.EVT_TOOL, self.parent.on_print_panel,
+ # id=GUIFRAME_ID.PRINT_ID)
+
+ def update_button(self, application_name='', panel_name=''):
+ """
+ """
+ #self.button_application.SetLabel(str(application_name))
+ self.button_panel.SetLabel(str(panel_name))
+ self.button_panel.SetToolTipString(str(panel_name))
+
+ def update_toolbar(self, panel=None):
+ """
+ """
+ if panel is None:
+ #self.EnableTool(GUIFRAME_ID.PRINT_ID, False)
+ self.EnableTool(GUIFRAME_ID.UNDO_ID,False)
+ self.EnableTool(GUIFRAME_ID.REDO_ID, False)
+ self.EnableTool(GUIFRAME_ID.COPY_ID,False)
+ self.EnableTool(GUIFRAME_ID.PASTE_ID, False)
+ self.EnableTool(GUIFRAME_ID.PREVIEW_ID, False)
+ self.EnableTool(GUIFRAME_ID.RESET_ID, False)
+ self.EnableTool(GUIFRAME_ID.SAVE_ID, False)
+ self._bookmark_bt.Disable()
+
+ else:
+ #self.EnableTool(GUIFRAME_ID.PRINT_ID, panel.get_print_flag())
+ self.EnableTool(GUIFRAME_ID.UNDO_ID, panel.get_undo_flag())
+ self.EnableTool(GUIFRAME_ID.REDO_ID, panel.get_redo_flag())
+ self.EnableTool(GUIFRAME_ID.COPY_ID, panel.get_copy_flag())
+ self.EnableTool(GUIFRAME_ID.PASTE_ID, panel.get_paste_flag())
+ self.EnableTool(GUIFRAME_ID.PREVIEW_ID, panel.get_preview_flag())
+ self.EnableTool(GUIFRAME_ID.RESET_ID, panel.get_reset_flag())
+ self.EnableTool(GUIFRAME_ID.SAVE_ID, panel.get_save_flag())
+ self._bookmark_bt.Enable(panel.get_bookmark_flag())
+ self.Realize()
+
+ def enable_undo(self, panel):
+ self.EnableTool(GUIFRAME_ID.UNDO_ID, panel.get_undo_flag())
+ self.Realize()
+
+ def enable_redo(self, panel):
+ self.EnableTool(GUIFRAME_ID.REDO_ID, panel.get_redo_flag())
+ self.Realize()
+
+ def enable_copy(self, panel):
+ self.EnableTool(GUIFRAME_ID.COPY_ID, panel.get_copy_flag())
+ self.Realize()
+
+ def enable_paste(self, panel):
+ self.EnableTool(GUIFRAME_ID.PASTE_ID, panel.get_paste_flag())
+ self.Realize()
+
+ def enable_print(self, panel):
+ self.EnableTool(GUIFRAME_ID.PRINT_ID, panel.get_print_flag())
+ self.Realize()
+
+ def enable_zoom(self, panel):
+ self.EnableTool(GUIFRAME_ID.ZOOM_ID, panel.get_zoom_flag())
+ self.Realize()
+
+ def enable_zoom_in(self, panel):
+ self.EnableTool(GUIFRAME_ID.ZOOM_IN_ID, panel.get_zoom_in_flag())
+ self.Realize()
+
+ def enable_zoom_out(self, panel):
+ self.EnableTool(GUIFRAME_ID.ZOOM_OUT_ID, panel.get_zoom_out_flag())
+ self.Realize()
+
+ def enable_bookmark(self, panel):
+ flag = panel.get_bookmark_flag()
+ self._bookmark_bt.Enable(flag)
+ self.Realize()
+
+ def enable_save(self, panel):
+ self.EnableTool(GUIFRAME_ID.SAVE_ID, panel.get_save_flag())
+ self.Realize()
+
+ def enable_reset(self, panel):
+ self.EnableTool(GUIFRAME_ID.RESET_ID, panel.get_reset_flag())
+ self.Realize()
+
+ def enable_preview(self, panel):
+ self.EnableTool(GUIFRAME_ID.PREVIEW_ID, panel.get_preview_flag())
+ self.Realize()
+
+ def on_bookmark(self, event):
+ """
+ add book mark
+ """
+ if self.parent is not None:
+ self.parent.on_bookmark_panel(event)
+
+ def append_bookmark(self, event):
+ """
+ receive item to append on the toolbar button bookmark
+ """
+ title = event.title
+ hint = event.hint
+ handler = event.handler
+ id = wx.NewId()
+ self._bookmark_menu.Append(id, str(title), str(hint))
+ wx.EVT_MENU(self, id, handler)
+
+ def remove_bookmark_item(self, item):
+ """
+ Remove a bookmark item
+ """
+ self._bookmark_menu.DestroyItem(item)
+
+ def get_bookmark_items(self):
+ """
+ Get bookmark menu items
+ """
+ return self._bookmark_menu.GetMenuItems()
+
+ def append_bookmark_item(self, id, label):
+ """
+ Append a item in bookmark
+ """
+ self._bookmark_menu.Append(id, label)
diff --git a/src/sas/sasgui/guiframe/images/Thumbs.db b/src/sas/sasgui/guiframe/images/Thumbs.db
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diff --git a/src/sas/sasgui/guiframe/images/house_2.png b/src/sas/sasgui/guiframe/images/house_2.png
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diff --git a/src/sas/sasgui/guiframe/images/umd_logo.png b/src/sas/sasgui/guiframe/images/umd_logo.png
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diff --git a/src/sas/sasgui/guiframe/images/undo.png b/src/sas/sasgui/guiframe/images/undo.png
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diff --git a/src/sas/sasgui/guiframe/images/utlogo.gif b/src/sas/sasgui/guiframe/images/utlogo.gif
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index 0000000..073a93a
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diff --git a/src/sas/sasgui/guiframe/images/zoom_in.png b/src/sas/sasgui/guiframe/images/zoom_in.png
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index 0000000..bba0ff2
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diff --git a/src/sas/sasgui/guiframe/images/zoom_out.png b/src/sas/sasgui/guiframe/images/zoom_out.png
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diff --git a/src/sas/sasgui/guiframe/local_perspectives/__init__.py b/src/sas/sasgui/guiframe/local_perspectives/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sasgui/guiframe/local_perspectives/data_loader/__init__.py b/src/sas/sasgui/guiframe/local_perspectives/data_loader/__init__.py
new file mode 100644
index 0000000..8a765fd
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/data_loader/__init__.py
@@ -0,0 +1,2 @@
+PLUGIN_ID = "DataLoader plug-in 1.0"
+from sas.sasgui.guiframe.local_perspectives.data_loader import *
diff --git a/src/sas/sasgui/guiframe/local_perspectives/data_loader/data_loader.py b/src/sas/sasgui/guiframe/local_perspectives/data_loader/data_loader.py
new file mode 100644
index 0000000..6247b0d
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/data_loader/data_loader.py
@@ -0,0 +1,255 @@
+
+"""
+plugin DataLoader responsible of loading data
+"""
+import os
+import sys
+import wx
+import logging
+
+from sas.sascalc.dataloader.loader import Loader
+from sas.sasgui.guiframe.plugin_base import PluginBase
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+from sas.sasgui.guiframe.gui_manager import DEFAULT_OPEN_FOLDER
+try:
+ # Try to find a local config
+ import imp
+ path = os.getcwd()
+ if(os.path.isfile("%s/%s.py" % (path, 'local_config'))) or \
+ (os.path.isfile("%s/%s.pyc" % (path, 'local_config'))):
+ fObj, path, descr = imp.find_module('local_config', [path])
+ config = imp.load_module('local_config', fObj, path, descr)
+ else:
+ # Try simply importing local_config
+ import local_config as config
+except:
+ # Didn't find local config, load the default
+ import sas.sasgui.guiframe.config as config
+
+if config is None:
+ import sas.sasgui.guiframe.config as config
+
+
+extension_list = []
+if config.APPLICATION_STATE_EXTENSION is not None:
+ extension_list.append(config.APPLICATION_STATE_EXTENSION)
+EXTENSIONS = config.PLUGIN_STATE_EXTENSIONS + extension_list
+PLUGINS_WLIST = config.PLUGINS_WLIST
+APPLICATION_WLIST = config.APPLICATION_WLIST
+
+class Plugin(PluginBase):
+
+ def __init__(self):
+ PluginBase.__init__(self, name="DataLoader")
+ # Default location
+ self._default_save_location = DEFAULT_OPEN_FOLDER
+ self.loader = Loader()
+ self._data_menu = None
+
+ def populate_file_menu(self):
+ """
+ get a menu item and append it under file menu of the application
+ add load file menu item and load folder item
+ """
+ # menu for data files
+ menu_list = []
+ data_file_hint = "load one or more data in the application"
+ menu_list = [('&Load Data File(s)', data_file_hint, self.load_data)]
+ gui_style = self.parent.get_style()
+ style = gui_style & GUIFRAME.MULTIPLE_APPLICATIONS
+ style1 = gui_style & GUIFRAME.DATALOADER_ON
+ if style == GUIFRAME.MULTIPLE_APPLICATIONS:
+ # menu for data from folder
+ data_folder_hint = "load multiple data in the application"
+ menu_list.append(('&Load Data Folder', data_folder_hint,
+ self._load_folder))
+ return menu_list
+
+ def load_data(self, event):
+ """
+ Load data
+ """
+ path = None
+ self._default_save_location = self.parent._default_save_location
+ if self._default_save_location == None:
+ self._default_save_location = os.getcwd()
+
+ cards = self.loader.get_wildcards()
+ temp = [APPLICATION_WLIST] + PLUGINS_WLIST
+ for item in temp:
+ if item in cards:
+ cards.remove(item)
+ wlist = '|'.join(cards)
+ style = wx.OPEN | wx.FD_MULTIPLE
+ dlg = wx.FileDialog(self.parent,
+ "Choose a file",
+ self._default_save_location, "",
+ wlist,
+ style=style)
+ if dlg.ShowModal() == wx.ID_OK:
+ file_list = dlg.GetPaths()
+ if len(file_list) >= 0 and not file_list[0] is None:
+ self._default_save_location = os.path.dirname(file_list[0])
+ path = self._default_save_location
+ dlg.Destroy()
+
+ if path is None or not file_list or file_list[0] is None:
+ return
+ self.parent._default_save_location = self._default_save_location
+ self.get_data(file_list)
+
+
+ def can_load_data(self):
+ """
+ if return True, then call handler to laod data
+ """
+ return True
+
+
+ def _load_folder(self, event):
+ """
+ Load entire folder
+ """
+ path = None
+ self._default_save_location = self.parent._default_save_location
+ if self._default_save_location == None:
+ self._default_save_location = os.getcwd()
+ dlg = wx.DirDialog(self.parent, "Choose a directory",
+ self._default_save_location,
+ style=wx.DD_DEFAULT_STYLE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ self._default_save_location = path
+ dlg.Destroy()
+ if path is not None:
+ self._default_save_location = os.path.dirname(path)
+ else:
+ return
+ file_list = self.get_file_path(path)
+ self.get_data(file_list)
+ self.parent._default_save_location = self._default_save_location
+
+ def load_error(self, error=None):
+ """
+ Pop up an error message.
+
+ :param error: details error message to be displayed
+ """
+ if error is not None or str(error).strip() != "":
+ dial = wx.MessageDialog(self.parent, str(error), 'Error Loading File',
+ wx.OK | wx.ICON_EXCLAMATION)
+ dial.ShowModal()
+
+ def get_file_path(self, path):
+ """
+ Receive a list containing folder then return a list of file
+ """
+ if os.path.isdir(path):
+ return [os.path.join(os.path.abspath(path), filename) for filename in os.listdir(path)]
+
+ def _process_data_and_errors(self, item, p_file, output, message):
+ """
+ Check to see if data set loaded with any errors. If so, append to
+ error message to be sure user knows the issue.
+ """
+ data_error = False
+ if hasattr(item, 'errors'):
+ for error_data in item.errors:
+ data_error = True
+ message += "\tError: {0}\n".format(error_data)
+ else:
+ logging.error("Loader returned an invalid object:\n %s" % str(item))
+ data_error = True
+
+ data = self.parent.create_gui_data(item, p_file)
+ output[data.id] = data
+ return output, message, data_error
+
+ def get_data(self, path, format=None):
+ """
+ """
+ file_errors = {}
+ output = {}
+ exception_occurred = False
+
+ for p_file in path:
+ basename = os.path.basename(p_file)
+ _, extension = os.path.splitext(basename)
+ if extension.lower() in EXTENSIONS:
+ log_msg = "Data Loader cannot "
+ log_msg += "load: {}\n".format(str(p_file))
+ log_msg += "Please try to open that file from \"open project\""
+ log_msg += "or \"open analysis\" menu."
+ logging.info(log_msg)
+ file_errors[basename] = [log_msg]
+ continue
+
+ try:
+ message = "Loading {}...\n".format(p_file)
+ self.load_update(output=output, message=message, info="info")
+ temp = self.loader.load(p_file, format)
+ if not isinstance(temp, list):
+ temp = [temp]
+ for item in temp:
+ error_message = ""
+ output, error_message, data_error = \
+ self._process_data_and_errors(item,
+ p_file,
+ output,
+ error_message)
+ if data_error:
+ if basename in file_errors.keys():
+ file_errors[basename] += [error_message]
+ else:
+ file_errors[basename] = [error_message]
+ self.load_update(output=output,
+ message=error_message, info="warning")
+
+ self.load_update(output=output,
+ message="Loaded {}\n".format(p_file),
+ info="info")
+
+ except:
+ logging.error(sys.exc_value)
+
+ error_message = "The Data file you selected could not be loaded.\n"
+ error_message += "Make sure the content of your file"
+ error_message += " is properly formatted.\n"
+ error_message += "When contacting the SasView team, mention the"
+ error_message += " following:\n"
+ error_message += "Error: " + str(sys.exc_info()[1])
+ file_errors[basename] = [error_message]
+ self.load_update(output=output, message=error_message, info="warning")
+
+ if len(file_errors) > 0:
+ error_message = ""
+ for filename, error_array in file_errors.iteritems():
+ error_message += "The following errors occured whilst "
+ error_message += "loading {}:\n".format(filename)
+ for message in error_array:
+ error_message += message + "\n"
+ error_message += "\n"
+ self.load_update(output=output, message=error_message, info="error")
+
+ self.load_complete(output=output, message="Loading data complete!",
+ info="info")
+
+ def load_update(self, output=None, message="", info="warning"):
+ """
+ print update on the status bar
+ """
+ if message != "":
+ wx.PostEvent(self.parent, StatusEvent(status=message, info=info,
+ type="progress"))
+ def load_complete(self, output, message="", error_message="", path=None,
+ info="warning"):
+ """
+ post message to status bar and return list of data
+ """
+ wx.PostEvent(self.parent, StatusEvent(status=message,
+ info=info,
+ type="stop"))
+ # if error_message != "":
+ # self.load_error(error_message)
+ self.parent.add_data(data_list=output)
diff --git a/src/sas/sasgui/guiframe/local_perspectives/data_loader/load_thread.py b/src/sas/sasgui/guiframe/local_perspectives/data_loader/load_thread.py
new file mode 100644
index 0000000..4c03ac1
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/data_loader/load_thread.py
@@ -0,0 +1,81 @@
+"""
+ Loading thread
+"""
+import time
+import sys
+import os
+
+from sas.sascalc.data_util.calcthread import CalcThread
+
+
+EXTENSIONS = ['.svs', '.prv', '.inv', '.fitv']
+
+class DataReader(CalcThread):
+ """
+ Load a data given a filename
+ """
+ def __init__(self, path, loader,
+ flag=True,
+ transform_data=None,
+ completefn=None,
+ updatefn=None,
+ yieldtime=0.01,
+ worktime=0.01):
+ CalcThread.__init__(self, completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.load_state_flag = flag
+ self.transform_data = transform_data
+ self.list_path = path
+ # Instantiate a loader
+ self.loader = loader
+ self.message = ""
+ self.starttime = 0
+ self.updatefn = updatefn
+
+ def isquit(self):
+ """
+ :raise KeyboardInterrupt: when the thread is interrupted
+ """
+ try:
+ CalcThread.isquit(self)
+ except KeyboardInterrupt:
+ raise KeyboardInterrupt
+
+ def compute(self):
+ """
+ read some data
+ """
+ self.starttime = time.time()
+ output = []
+ error_message = ""
+ for path in self.list_path:
+ basename = os.path.basename(path)
+ _, extension = os.path.splitext(basename)
+ if self.load_state_flag:
+ if extension.lower() in EXTENSIONS:
+ pass
+ else:
+ if extension.lower() not in EXTENSIONS:
+ pass
+ try:
+ temp = self.loader.load(path)
+ if temp.__class__.__name__ == "list":
+ for item in temp:
+ data = self.transform_data(item, path)
+ output.append(data)
+ else:
+ data = self.transform_data(temp, path)
+ output.append(data)
+ message = "Loading ..." + str(path) + "\n"
+ if self.updatefn is not None:
+ self.updatefn(output=output, message=message)
+ except:
+ error_message = "Error while loading: %s\n" % str(path)
+ error_message += str(sys.exc_value) + "\n"
+ self.updatefn(output=output, message=error_message)
+
+ message = "Loading Complete!"
+ self.complete(output=output, error_message=error_message,
+ message=message, path=self.list_path)
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/AnnulusSlicer.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/AnnulusSlicer.py
new file mode 100644
index 0000000..e705cf6
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/AnnulusSlicer.py
@@ -0,0 +1,601 @@
+# TODO: the line slicer should listen to all 2DREFRESH events, get the data and slice it
+# before pushing a new 1D data update.
+
+#
+# TODO: NEED MAJOR REFACTOR
+#
+
+import math
+import wx
+# from copy import deepcopy
+# Debug printout
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+from BaseInteractor import _BaseInteractor
+from sas.sasgui.guiframe.dataFitting import Data1D
+
+class AnnulusInteractor(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot.
+ This interactor is used to average 2D data with the region
+ defined by 2 radius.
+ this class is defined by 2 Ringinterators.
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ self.base = base
+ self.qmax = min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin)) # must be positive
+ self.connect = self.base.connect
+
+ # # Number of points on the plot
+ self.nbins = 36
+ # Cursor position of Rings (Left(-1) or Right(1))
+ self.xmaxd = self.base.data2D.xmax
+ self.xmind = self.base.data2D.xmin
+
+ if (self.xmaxd + self.xmind) > 0:
+ self.sign = 1
+ else:
+ self.sign = -1
+ # Inner circle
+ self.inner_circle = RingInteractor(self, self.base.subplot,
+ zorder=zorder,
+ r=self.qmax / 2.0, sign=self.sign)
+ self.inner_circle.qmax = self.qmax
+ self.outer_circle = RingInteractor(self, self.base.subplot,
+ zorder=zorder + 1, r=self.qmax / 1.8,
+ sign=self.sign)
+ self.outer_circle.qmax = self.qmax * 1.2
+ self.update()
+ self._post_data()
+
+ # Bind to slice parameter events
+ self.base.Bind(EVT_SLICER_PARS, self._onEVT_SLICER_PARS)
+
+ def _onEVT_SLICER_PARS(self, event):
+ """
+ receive an event containing parameters values to reset the slicer
+
+ :param event: event of type SlicerParameterEvent with params as
+ attribute
+
+ """
+ wx.PostEvent(self.base,
+ StatusEvent(status="AnnulusSlicer._onEVT_SLICER_PARS"))
+ event.Skip()
+ if event.type == self.__class__.__name__:
+ self.set_params(event.params)
+ self.base.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ self.outer_circle.clear()
+ self.inner_circle.clear()
+ self.base.connect.clearall()
+ self.base.Unbind(EVT_SLICER_PARS)
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # Update locations
+ self.inner_circle.update()
+ self.outer_circle.update()
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.inner_circle.save(ev)
+ self.outer_circle.save(ev)
+
+ def _post_data(self, nbins=None):
+ """
+ Uses annulus parameters to plot averaged data into 1D data.
+
+ :param nbins: the number of points to plot
+
+ """
+ # Data to average
+ data = self.base.data2D
+ # If we have no data, just return
+ if data == None:
+ return
+
+ from sas.sascalc.dataloader.manipulations import Ring
+ rmin = min(math.fabs(self.inner_circle.get_radius()),
+ math.fabs(self.outer_circle.get_radius()))
+ rmax = max(math.fabs(self.inner_circle.get_radius()),
+ math.fabs(self.outer_circle.get_radius()))
+ # if the user does not specify the numbers of points to plot
+ # the default number will be nbins= 36
+ if nbins == None:
+ self.nbins = 36
+ else:
+ self.nbins = nbins
+ # # create the data1D Q average of data2D
+ sect = Ring(r_min=rmin, r_max=rmax, nbins=self.nbins)
+ sector = sect(self.base.data2D)
+
+ if hasattr(sector, "dxl"):
+ dxl = sector.dxl
+ else:
+ dxl = None
+ if hasattr(sector, "dxw"):
+ dxw = sector.dxw
+ else:
+ dxw = None
+ new_plot = Data1D(x=(sector.x - math.pi) * 180 / math.pi,
+ y=sector.y, dy=sector.dy)
+ new_plot.dxl = dxl
+ new_plot.dxw = dxw
+ new_plot.name = "AnnulusPhi" + "(" + self.base.data2D.name + ")"
+
+ new_plot.source = self.base.data2D.source
+ # new_plot.info=self.base.data2D.info
+ new_plot.interactive = True
+ new_plot.detector = self.base.data2D.detector
+ # If the data file does not tell us what the axes are, just assume...
+ new_plot.xaxis("\\rm{\phi}", 'degrees')
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ if hasattr(data, "scale") and data.scale == 'linear' and \
+ self.base.data2D.name.count("Residuals") > 0:
+ new_plot.ytransform = 'y'
+ new_plot.yaxis("\\rm{Residuals} ", "/")
+
+ new_plot.group_id = "AnnulusPhi" + self.base.data2D.name
+ new_plot.id = "AnnulusPhi" + self.base.data2D.name
+ new_plot.is_data = True
+ new_plot.xtransform = "x"
+ new_plot.ytransform = "y"
+ self.base.parent.update_theory(data_id=data.id, theory=new_plot)
+ wx.PostEvent(self.base.parent, NewPlotEvent(plot=new_plot, title="AnnulusPhi"))
+
+ def moveend(self, ev):
+ """
+ Called when any dragging motion ends.
+ Post an event (type =SlicerParameterEvent)
+ to plotter 2D with a copy slicer parameters
+ Call _post_data method
+ """
+ self.base.thaw_axes()
+ # Post parameters to plotter 2D
+ event = SlicerParameterEvent()
+ event.type = self.__class__.__name__
+ event.params = self.get_params()
+ wx.PostEvent(self.base, event)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.inner_circle.restore()
+ self.outer_circle.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ params["inner_radius"] = math.fabs(self.inner_circle._inner_mouse_x)
+ params["outer_radius"] = math.fabs(self.outer_circle._inner_mouse_x)
+ params["nbins"] = self.nbins
+ return params
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+
+ """
+ inner = math.fabs(params["inner_radius"])
+ outer = math.fabs(params["outer_radius"])
+ self.nbins = int(params["nbins"])
+ # # Update the picture
+ self.inner_circle.set_cursor(inner, self.inner_circle._inner_mouse_y)
+ self.outer_circle.set_cursor(outer, self.outer_circle._inner_mouse_y)
+ # # Post the data given the nbins entered by the user
+ self._post_data(self.nbins)
+
+ def freeze_axes(self):
+ """
+ """
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ """
+ """
+ self.base.thaw_axes()
+
+ def draw(self):
+ """
+ """
+ self.base.draw()
+
+
+class RingInteractor(_BaseInteractor):
+ """
+ Draw a ring Given a radius
+ """
+ def __init__(self, base, axes, color='black', zorder=5, r=1.0, sign=1):
+ """
+ :param: the color of the line that defined the ring
+ :param r: the radius of the ring
+ :param sign: the direction of motion the the marker
+
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ # Current radius of the ring
+ self._inner_mouse_x = r
+ # Value of the center of the ring
+ self._inner_mouse_y = 0
+ # previous value of that radius
+ self._inner_save_x = r
+ # Save value of the center of the ring
+ self._inner_save_y = 0
+ # Class instantiating RingIterator class
+ self.base = base
+ # the direction of the motion of the marker
+ self.sign = sign
+ # # Create a marker
+ try:
+ # Inner circle marker
+ x_value = [self.sign * math.fabs(self._inner_mouse_x)]
+ self.inner_marker = self.axes.plot(x_value, [0], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder,
+ visible=True)[0]
+ except:
+ x_value = [self.sign * math.fabs(self._inner_mouse_x)]
+ self.inner_marker = self.axes.plot(x_value, [0], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ label="pick",
+ visible=True)[0]
+ message = "\nTHIS PROTOTYPE NEEDS THE LATEST"
+ message += " VERSION OF MATPLOTLIB\n"
+ message += "Get the SVN version that is at "
+ message += " least as recent as June 1, 2007"
+
+ owner = self.base.base.parent
+ wx.PostEvent(owner, StatusEvent(status="AnnulusSlicer: %s" % message))
+
+ # Draw a circle
+ [self.inner_circle] = self.axes.plot([], [], linestyle='-', marker='', color=self.color)
+ # the number of points that make the ring line
+ self.npts = 40
+
+ self.connect_markers([self.inner_marker])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ try:
+ self.inner_marker.remove()
+ self.inner_circle.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def get_radius(self):
+ """
+ :return self._inner_mouse_x: the current radius of the ring
+ """
+ return self._inner_mouse_x
+
+ def update(self):
+ """
+ Draw the new roughness on the graph.
+ """
+ # Plot inner circle
+ x = []
+ y = []
+ for i in range(self.npts):
+ phi = 2.0 * math.pi / (self.npts - 1) * i
+
+ xval = 1.0 * self._inner_mouse_x * math.cos(phi)
+ yval = 1.0 * self._inner_mouse_x * math.sin(phi)
+
+ x.append(xval)
+ y.append(yval)
+
+ self.inner_marker.set(xdata=[self.sign * math.fabs(self._inner_mouse_x)],
+ ydata=[0])
+ self.inner_circle.set_data(x, y)
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self._inner_save_x = self._inner_mouse_x
+ self._inner_save_y = self._inner_mouse_y
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ Called after a dragging motion
+ """
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self._inner_mouse_x = self._inner_save_x
+ self._inner_mouse_y = self._inner_save_y
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self._inner_mouse_x = x
+ self._inner_mouse_y = y
+ self.base.base.update()
+
+ def set_cursor(self, x, y):
+ """
+ draw the ring given x, y value
+ """
+ self.move(x, y, None)
+ self.update()
+
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ params["radius"] = math.fabs(self._inner_mouse_x)
+ return params
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+
+ """
+ x = params["radius"]
+ self.set_cursor(x, self._inner_mouse_y)
+
+class CircularMask(_BaseInteractor):
+ """
+ Draw a ring Given a radius
+ """
+ def __init__(self, base, axes, color='grey', zorder=3, side=None):
+ """
+ :param: the color of the line that defined the ring
+ :param r: the radius of the ring
+ :param sign: the direction of motion the the marker
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ self.base = base
+ self.is_inside = side
+ self.qmax = min(math.fabs(self.base.data.xmax),
+ math.fabs(self.base.data.xmin)) # must be positive
+ self.connect = self.base.connect
+
+ # Cursor position of Rings (Left(-1) or Right(1))
+ self.xmaxd = self.base.data.xmax
+ self.xmind = self.base.data.xmin
+
+ if (self.xmaxd + self.xmind) > 0:
+ self.sign = 1
+ else:
+ self.sign = -1
+ # Inner circle
+ self.outer_circle = RingInteractor(self, self.base.subplot, 'blue',
+ zorder=zorder + 1, r=self.qmax / 1.8,
+ sign=self.sign)
+ self.outer_circle.qmax = self.qmax * 1.2
+ self.update()
+ self._post_data()
+
+ # Bind to slice parameter events
+ # self.base.Bind(EVT_SLICER_PARS, self._onEVT_SLICER_PARS)
+
+ def _onEVT_SLICER_PARS(self, event):
+ """
+ receive an event containing parameters values to reset the slicer
+
+ :param event: event of type SlicerParameterEvent with params as
+ attribute
+ """
+ wx.PostEvent(self.base,
+ StatusEvent(status="AnnulusSlicer._onEVT_SLICER_PARS"))
+ event.Skip()
+ if event.type == self.__class__.__name__:
+ self.set_params(event.params)
+ self.base.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ self.outer_circle.clear()
+ self.base.connect.clearall()
+ # self.base.Unbind(EVT_SLICER_PARS)
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # Update locations
+ self.outer_circle.update()
+ # if self.is_inside != None:
+ out = self._post_data()
+ return out
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.outer_circle.save(ev)
+
+ def _post_data(self):
+ """
+ Uses annulus parameters to plot averaged data into 1D data.
+
+ :param nbins: the number of points to plot
+
+ """
+ # Data to average
+ data = self.base.data
+
+ # If we have no data, just return
+ if data == None:
+ return
+ mask = data.mask
+ from sas.sascalc.dataloader.manipulations import Ringcut
+
+ rmin = 0
+ rmax = math.fabs(self.outer_circle.get_radius())
+
+ # # create the data1D Q average of data2D
+ mask = Ringcut(r_min=rmin, r_max=rmax)
+
+ if self.is_inside:
+ out = (mask(data) == False)
+ else:
+ out = (mask(data))
+ # self.base.data.mask=out
+ return out
+
+
+ def moveend(self, ev):
+ """
+ Called when any dragging motion ends.
+ Post an event (type =SlicerParameterEvent)
+ to plotter 2D with a copy slicer parameters
+ Call _post_data method
+ """
+ self.base.thaw_axes()
+ # create a 1D data plot
+ self._post_data()
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.outer_circle.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ params["outer_radius"] = math.fabs(self.outer_circle._inner_mouse_x)
+ return params
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+ """
+ outer = math.fabs(params["outer_radius"])
+ # # Update the picture
+ self.outer_circle.set_cursor(outer, self.outer_circle._inner_mouse_y)
+ # # Post the data given the nbins entered by the user
+ self._post_data()
+
+ def freeze_axes(self):
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ self.base.thaw_axes()
+
+ def draw(self):
+ self.base.update()
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/Arc.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/Arc.py
new file mode 100644
index 0000000..017da31
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/Arc.py
@@ -0,0 +1,161 @@
+"""
+ Arc slicer for 2D data
+"""
+import math
+
+from BaseInteractor import _BaseInteractor
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+
+class ArcInteractor(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot
+ """
+ def __init__(self, base, axes, color='black', zorder=5, r=1.0,
+ theta1=math.pi / 8, theta2=math.pi / 4):
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ self._mouse_x = r
+ self._mouse_y = 0
+ self._save_x = r
+ self._save_y = 0
+ self.scale = 10.0
+ self.theta1 = theta1
+ self.theta2 = theta2
+ self.radius = r
+ [self.arc] = self.axes.plot([], [], linestyle='-', marker='', color=self.color)
+ self.npts = 20
+ self.has_move = False
+ self.connect_markers([self.arc])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+ :param n: the number of layer
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear this slicer and its markers
+ """
+ self.clear_markers()
+ try:
+ for item in self.markers:
+ item.remove()
+ self.arc.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def get_radius(self):
+ """
+ Return arc radius
+ """
+ radius = math.sqrt(math.pow(self._mouse_x, 2) + \
+ math.pow(self._mouse_y, 2))
+ return radius
+
+ def update(self, theta1=None, theta2=None, nbins=None, r=None):
+ """
+ Update the plotted arc
+ :param theta1: starting angle of the arc
+ :param theta2: ending angle of the arc
+ :param nbins: number of points along the arc
+ :param r: radius of the arc
+ """
+ # Plot inner circle
+ x = []
+ y = []
+ if theta1 != None:
+ self.theta1 = theta1
+ if theta2 != None:
+ self.theta2 = theta2
+ while self.theta2 < self.theta1:
+ self.theta2 += (2 * math.pi)
+ while self.theta2 >= (self.theta1 + 2 * math.pi):
+ self.theta2 -= (2 * math.pi)
+ npts = int((self.theta2 - self.theta1) / (math.pi / 120))
+
+ if r == None:
+ self.radius = math.sqrt(math.pow(self._mouse_x, 2) + \
+ math.pow(self._mouse_y, 2))
+ else:
+ self.radius = r
+ for i in range(self.npts):
+ phi = (self.theta2 - self.theta1) / (self.npts - 1) * i + self.theta1
+ xval = 1.0 * self.radius * math.cos(phi)
+ yval = 1.0 * self.radius * math.sin(phi)
+
+ x.append(xval)
+ y.append(yval)
+ # self.marker.set(xdata=[self._mouse_x],ydata=[0])
+ self.arc.set_data(x, y)
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self._save_x = self._mouse_x
+ self._save_y = self._mouse_y
+ # self._save_x = ev.xdata
+ # self._save_y = ev.ydata
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ After a dragging motion reset the flag self.has_move to False
+ :param ev: event
+ """
+ self.has_move = False
+
+ event = SlicerParameterEvent()
+ event.type = self.__class__.__name__
+ event.params = self.get_params()
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self._mouse_x = self._save_x
+ self._mouse_y = self._save_y
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ # print "ring move x, y", x,y
+ self._mouse_x = x
+ self._mouse_y = y
+ self.has_move = True
+ self.base.base.update()
+
+ def set_cursor(self, radius, phi_min, phi_max, nbins):
+ """
+ """
+ self.theta1 = phi_min
+ self.theta2 = phi_max
+ self.update(nbins=nbins, r=radius)
+
+ def get_params(self):
+ """
+ """
+ params = {}
+ params["radius"] = self.radius
+ params["theta1"] = self.theta1
+ params["theta2"] = self.theta2
+ return params
+
+ def set_params(self, params):
+ """
+ """
+ x = params["radius"]
+ phi_max = self.theta2
+ nbins = self.npts
+ self.set_cursor(x, self._mouse_y, phi_max, nbins)
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/AzimutSlicer.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/AzimutSlicer.py
new file mode 100644
index 0000000..6a210fd
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/AzimutSlicer.py
@@ -0,0 +1,282 @@
+# TODO: the line slicer should listen to all 2DREFRESH events, get the data and slice it
+# before pushing a new 1D data update.
+#
+# TODO: NEED MAJOR REFACTOR
+#
+import math
+import wx
+from BaseInteractor import _BaseInteractor
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+
+class SectorInteractor(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ self.qmax = self.base.data2D.xmax
+ self.connect = self.base.connect
+
+ # # Number of points on the plot
+ self.nbins = 20
+ theta1 = 2 * math.pi / 3
+ theta2 = -2 * math.pi / 3
+
+ # Inner circle
+ from Arc import ArcInteractor
+ self.inner_circle = ArcInteractor(self, self.base.subplot,
+ zorder=zorder,
+ r=self.qmax / 2.0,
+ theta1=theta1,
+ theta2=theta2)
+ self.inner_circle.qmax = self.qmax
+ self.outer_circle = ArcInteractor(self, self.base.subplot,
+ zorder=zorder + 1,
+ r=self.qmax / 1.8,
+ theta1=theta1,
+ theta2=theta2)
+ self.outer_circle.qmax = self.qmax * 1.2
+ # self.outer_circle.set_cursor(self.base.qmax/1.8, 0)
+ from Edge import RadiusInteractor
+ self.right_edge = RadiusInteractor(self, self.base.subplot,
+ zorder=zorder + 1,
+ arc1=self.inner_circle,
+ arc2=self.outer_circle,
+ theta=theta1)
+ self.left_edge = RadiusInteractor(self, self.base.subplot,
+ zorder=zorder + 1,
+ arc1=self.inner_circle,
+ arc2=self.outer_circle,
+ theta=theta2)
+ self.update()
+ self._post_data()
+ # Bind to slice parameter events
+ self.base.parent.Bind(EVT_SLICER_PARS, self._onEVT_SLICER_PARS)
+
+ def _onEVT_SLICER_PARS(self, event):
+ """
+ """
+ # printEVT("AnnulusSlicer._onEVT_SLICER_PARS")
+ event.Skip()
+ if event.type == self.__class__.__name__:
+ self.set_params(event.params)
+ self.base.update()
+
+ def set_layer(self, n):
+ """
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ """
+ self.clear_markers()
+ self.outer_circle.clear()
+ self.inner_circle.clear()
+ self.right_edge.clear()
+ self.left_edge.clear()
+ # self.base.connect.disconnect()
+ self.base.parent.Unbind(EVT_SLICER_PARS)
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # Update locations
+ if self.inner_circle.has_move:
+ # print "inner circle has moved"
+ self.inner_circle.update()
+ r1 = self.inner_circle.get_radius()
+ r2 = self.outer_circle.get_radius()
+ self.right_edge.update(r1, r2)
+ self.left_edge.update(r1, r2)
+ if self.outer_circle.has_move:
+ # print "outer circle has moved"
+ self.outer_circle.update()
+ r1 = self.inner_circle.get_radius()
+ r2 = self.outer_circle.get_radius()
+ self.left_edge.update(r1, r2)
+ self.right_edge.update(r1, r2)
+ if self.right_edge.has_move:
+ # print "right edge has moved"
+ self.right_edge.update()
+ self.inner_circle.update(theta1=self.right_edge.get_angle(),
+ theta2=None)
+ self.outer_circle.update(theta1=self.right_edge.get_angle(),
+ theta2=None)
+ if self.left_edge.has_move:
+ # print "left Edge has moved"
+ self.left_edge.update()
+ self.inner_circle.update(theta1=None,
+ theta2=self.left_edge.get_angle())
+ self.outer_circle.update(theta1=None,
+ theta2=self.left_edge.get_angle())
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.inner_circle.save(ev)
+ self.outer_circle.save(ev)
+ self.right_edge.save(ev)
+ self.left_edge.save(ev)
+
+ def _post_data(self):
+ pass
+
+ def post_data(self, new_sector):
+ """ post data averaging in Q"""
+ if self.inner_circle.get_radius() < self.outer_circle.get_radius():
+ rmin = self.inner_circle.get_radius()
+ rmax = self.outer_circle.get_radius()
+ else:
+ rmin = self.outer_circle.get_radius()
+ rmax = self.inner_circle.get_radius()
+ if self.right_edge.get_angle() < self.left_edge.get_angle():
+ phimin = self.right_edge.get_angle()
+ phimax = self.left_edge.get_angle()
+ else:
+ phimin = self.left_edge.get_angle()
+ phimax = self.right_edge.get_angle()
+ # print "phimin, phimax, rmin ,rmax",math.degrees(phimin),
+ # math.degrees(phimax), rmin ,rmax
+ # from sas.sascalc.dataloader.manipulations import SectorQ
+
+ sect = new_sector(r_min=rmin, r_max=rmax,
+ phi_min=phimin, phi_max=phimax)
+ sector = sect(self.base.data2D)
+
+ from sas.sasgui.guiframe.dataFitting import Data1D
+ if hasattr(sector, "dxl"):
+ dxl = sector.dxl
+ else:
+ dxl = None
+ if hasattr(sector, "dxw"):
+ dxw = sector.dxw
+ else:
+ dxw = None
+ new_plot = Data1D(x=sector.x, y=sector.y, dy=sector.dy,
+ dxl=dxl, dxw=dxw)
+ new_plot.name = str(new_sector.__name__) + \
+ "(" + self.base.data2D.name + ")"
+ new_plot.source = self.base.data2D.source
+ new_plot.interactive = True
+ # print "loader output.detector",output.source
+ new_plot.detector = self.base.data2D.detector
+ # If the data file does not tell us what the axes are, just assume...
+ new_plot.xaxis("\\rm{Q}", 'rad')
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ new_plot.group_id = str(new_sector.__name__) + self.base.data2D.name
+ self.base.parent.update_theory(data_id=self.base.data2D.id, \
+ theory=new_plot)
+ wx.PostEvent(self.base.parent,
+ NewPlotEvent(plot=new_plot, title=str(new_sector.__name__)))
+
+ def moveend(self, ev):
+ #TODO: why is this empty?
+ pass
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.inner_circle.restore()
+ self.outer_circle.restore()
+ self.right_edge.restore()
+ self.left_edge.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ """
+ """
+ pass
+
+ def get_params(self):
+ """
+ """
+ params = {}
+ params["r_min"] = self.inner_circle.get_radius()
+ params["r_max"] = self.outer_circle.get_radius()
+ params["phi_min"] = self.right_edge.get_angle()
+ params["phi_max"] = self.left_edge.get_angle()
+ params["nbins"] = self.nbins
+ return params
+
+ def set_params(self, params):
+ """
+ """
+ # print "setparams on main slicer ",params
+ inner = params["r_min"]
+ outer = params["r_max"]
+ phi_min = params["phi_min"]
+ phi_max = params["phi_max"]
+ self.nbins = int(params["nbins"])
+
+ self.inner_circle.set_cursor(inner, phi_min, phi_max, self.nbins)
+ self.outer_circle.set_cursor(outer, phi_min, phi_max, self.nbins)
+ self.right_edge.set_cursor(inner, outer, phi_min)
+ self.left_edge.set_cursor(inner, outer, phi_max)
+ self._post_data()
+
+ def freeze_axes(self):
+ """
+ """
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ """
+ """
+ self.base.thaw_axes()
+
+ def draw(self):
+ """
+ """
+ self.base.draw()
+
+class SectorInteractorQ(SectorInteractor):
+ """
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+ """
+ """
+ SectorInteractor.__init__(self, base, axes, color=color)
+ self.base = base
+ self._post_data()
+
+ def _post_data(self):
+ """
+ """
+ from sas.sascalc.dataloader.manipulations import SectorQ
+ self.post_data(SectorQ)
+
+
+class SectorInteractorPhi(SectorInteractor):
+ """
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+ """
+ """
+ SectorInteractor.__init__(self, base, axes, color=color)
+ self.base = base
+ self._post_data()
+
+ def _post_data(self):
+ """
+ """
+ from sas.sascalc.dataloader.manipulations import SectorPhi
+ self.post_data(SectorPhi)
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/BaseInteractor.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/BaseInteractor.py
new file mode 100644
index 0000000..3b0abfc
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/BaseInteractor.py
@@ -0,0 +1,180 @@
+interface_color = 'black'
+disable_color = 'gray'
+active_color = 'red'
+rho_color = 'black'
+mu_color = 'green'
+P_color = 'blue'
+theta_color = 'orange'
+profile_colors = [rho_color, mu_color, P_color, theta_color]
+
+class _BaseInteractor(object):
+ """
+ Share some functions between the interface interactor and various layer
+ interactors.
+
+ Individual interactors need the following functions:
+
+ save(ev) - save the current state for later restore
+ restore() - restore the old state
+ move(x,y,ev) - move the interactor to position x,y
+ moveend(ev) - end the drag event
+ update() - draw the interactors
+
+ The following are provided by the base class:
+
+ connect_markers(markers) - register callbacks for all markers
+ clear_markers() - remove all items in self.markers
+ onHilite(ev) - enter/leave event processing
+ onLeave(ev) - enter/leave event processing
+ onClick(ev) - mouse click: calls save()
+ onRelease(ev) - mouse click ends: calls moveend()
+ onDrag(ev) - mouse move: calls move() or restore()
+ onKey(ev) - keyboard move: calls move() or restore()
+
+ Interactor attributes:
+
+ base - model we are operating on
+ axes - axes holding the interactor
+ color - color of the interactor in non-active state
+ markers - list of handles for the interactor
+
+ """
+ def __init__(self, base, axes, color='black'):
+ """
+ """
+ self.base = base
+ self.axes = axes
+ self.color = color
+ self.clickx = None
+ self.clicky = None
+ self.markers = []
+
+ def clear_markers(self):
+ """
+ Clear old markers and interfaces.
+ """
+ for h in self.markers: h.remove()
+ if self.markers:
+ self.base.connect.clear(*self.markers)
+ self.markers = []
+
+ def save(self, ev):
+ """
+ """
+ pass
+
+ def restore(self, ev):
+ """
+ """
+ pass
+
+ def move(self, x, y, ev):
+ """
+ """
+ pass
+
+ def moveend(self, ev):
+ """
+ """
+ pass
+
+ def connect_markers(self, markers):
+ """
+ Connect markers to callbacks
+ """
+
+ for h in markers:
+ connect = self.base.connect
+ connect('enter', h, self.onHilite)
+ connect('leave', h, self.onLeave)
+ connect('click', h, self.onClick)
+ connect('release', h, self.onRelease)
+ connect('drag', h, self.onDrag)
+ connect('key', h, self.onKey)
+
+ def onHilite(self, ev):
+ """
+ Hilite the artist reporting the event, indicating that it is
+ ready to receive a click.
+ """
+ ev.artist.set_color(active_color)
+ self.base.draw()
+ return True
+
+ def onLeave(self, ev):
+ """
+ Restore the artist to the original colour when the cursor leaves.
+ """
+ ev.artist.set_color(self.color)
+ self.base.draw()
+ return True
+
+ def onClick(self, ev):
+ """
+ Prepare to move the artist. Calls save() to preserve the state for
+ later restore().
+ """
+ self.clickx, self.clicky = ev.xdata, ev.ydata
+ self.save(ev)
+ return True
+
+ def onRelease(self, ev):
+ """
+ """
+ self.moveend(ev)
+ return True
+
+ def onDrag(self, ev):
+ """
+ Move the artist. Calls move() to update the state, or restore() if
+ the mouse leaves the window.
+ """
+ inside, _ = self.axes.contains(ev)
+ if inside:
+ self.clickx, self.clicky = ev.xdata, ev.ydata
+ self.move(ev.xdata, ev.ydata, ev)
+ else:
+ self.restore()
+ self.base.update()
+ return True
+
+ def onKey(self, ev):
+ """
+ Respond to keyboard events. Arrow keys move the widget. Escape
+ restores it to the position before the last click.
+
+ Calls move() to update the state. Calls restore() on escape.
+ """
+ if ev.key == 'escape':
+ self.restore()
+ elif ev.key in ['up', 'down', 'right', 'left']:
+ dx, dy = self.dpixel(self.clickx, self.clicky, nudge=ev.control)
+ if ev.key == 'up':
+ self.clicky += dy
+ elif ev.key == 'down':
+ self.clicky -= dy
+ elif ev.key == 'right':
+ self.clickx += dx
+ else: self.clickx -= dx
+ self.move(self.clickx, self.clicky, ev)
+ else:
+ return False
+ self.base.update()
+ return True
+
+ def dpixel(self, x, y, nudge=False):
+ """
+ Return the step size in data coordinates for a small
+ step in screen coordinates. If nudge is False (default)
+ the step size is one pixel. If nudge is True, the step
+ size is 0.2 pixels.
+ """
+ ax = self.axes
+ px, py = ax.transData.inverse_xy_tup((x, y))
+ if nudge:
+ nx, ny = ax.transData.xy_tup((px + 0.2, py + 0.2))
+ else:
+ nx, ny = ax.transData.xy_tup((px + 1.0, py + 1.0))
+ dx, dy = nx - x, ny - y
+ return dx, dy
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/Edge.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/Edge.py
new file mode 100644
index 0000000..1f2b8c2
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/Edge.py
@@ -0,0 +1,128 @@
+import math
+from BaseInteractor import _BaseInteractor
+
+
+class RadiusInteractor(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot
+ """
+ def __init__(self, base, axes, color='black', zorder=5, arc1=None,
+ arc2=None, theta=math.pi / 8):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ self.r1 = arc1.get_radius()
+ self.r2 = arc2.get_radius()
+ self.theta = theta
+ self.save_theta = theta
+ self.move_stop = False
+ self.theta_left = None
+ self.theta_right = None
+ self.arc1 = arc1
+ self.arc2 = arc2
+ x1 = self.r1 * math.cos(self.theta)
+ y1 = self.r1 * math.sin(self.theta)
+ x2 = self.r2 * math.cos(self.theta)
+ y2 = self.r2 * math.sin(self.theta)
+ self.line = self.axes.plot([x1, x2], [y1, y2],
+ linestyle='-', marker='',
+ color=self.color,
+ visible=True)[0]
+ self.phi = theta
+ self.npts = 20
+ self.has_move = False
+ self.connect_markers([self.line])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ """
+ self.clear_markers()
+ try:
+ self.line.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def get_angle(self):
+ """
+ """
+ return self.theta
+
+ def update(self, r1=None, r2=None, theta=None):
+ """
+ Draw the new roughness on the graph.
+ """
+ if r1 != None:
+ self.r1 = r1
+ if r2 != None:
+ self.r2 = r2
+ if theta != None:
+ self.theta = theta
+ x1 = self.r1 * math.cos(self.theta)
+ y1 = self.r1 * math.sin(self.theta)
+ x2 = self.r2 * math.cos(self.theta)
+ y2 = self.r2 * math.sin(self.theta)
+ self.line.set(xdata=[x1, x2], ydata=[y1, y2])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_theta = math.atan2(ev.y, ev.x)
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self, ev):
+ """
+ Restore the roughness for this layer.
+ """
+ self.theta = self.save_theta
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.theta = math.atan2(y, x)
+ self.has_move = True
+ self.base.base.update()
+
+ def set_cursor(self, r_min, r_max, theta):
+ """
+ """
+ self.theta = theta
+ self.r1 = r_min
+ self.r2 = r_max
+ self.update()
+
+ def get_params(self):
+ """
+ """
+ params = {}
+ params["radius1"] = self.r1
+ params["radius2"] = self.r2
+ params["theta"] = self.theta
+ return params
+
+ def set_params(self, params):
+ """
+ """
+ x1 = params["radius1"]
+ x2 = params["radius2"]
+ theta = params["theta"]
+ self.set_cursor(x1, x2, theta)
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/Plotter1D.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/Plotter1D.py
new file mode 100644
index 0000000..1da60b1
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/Plotter1D.py
@@ -0,0 +1,890 @@
+
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txt
+#
+# copyright 2008, University of Tennessee
+################################################################################
+
+
+import wx
+import sys
+import math
+import numpy
+import logging
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import PanelOnFocusEvent
+from sas.sasgui.guiframe.utils import PanelMenu, IdList
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ICON
+from appearanceDialog import appearanceDialog
+from graphAppearance import graphAppearance
+
+DEFAULT_QMAX = 0.05
+DEFAULT_QSTEP = 0.001
+DEFAULT_BEAM = 0.005
+BIN_WIDTH = 1
+IS_MAC = (sys.platform == 'darwin')
+
+
+def find_key(dic, val):
+ """return the key of dictionary dic given the value"""
+ return [k for k, v in dic.iteritems() if v == val][0]
+
+class ModelPanel1D(PlotPanel, PanelBase):
+ """
+ Plot panel for use with the GUI manager
+ """
+
+ ## Internal name for the AUI manager
+ window_name = "plotpanel"
+ ## Title to appear on top of the window
+ window_caption = "Graph"
+ ## Flag to tell the GUI manager that this panel is not
+ # tied to any perspective
+ ALWAYS_ON = True
+ ## Group ID
+ group_id = None
+ _menu_ids = IdList()
+
+ def __init__(self, parent, id=-1, color=None,
+ dpi=None, style=wx.NO_FULL_REPAINT_ON_RESIZE, **kwargs):
+ PlotPanel.__init__(self, parent, id=id, style=style, **kwargs)
+ PanelBase.__init__(self, parent)
+ ## Reference to the parent window
+ self.parent = parent
+ if hasattr(parent, "parent"):
+ self.parent = self.parent.parent
+ ## Plottables
+ self.plots = {}
+ self.frame = None
+ # context menu
+ self._slicerpop = None
+ self._available_data = []
+ self._symbol_labels = self.get_symbol_label()
+ self._color_labels = self.get_color_label()
+ self.currColorIndex = ""
+ self._is_changed_legend_label = False
+ self.is_xtick = False
+ self.is_ytick = False
+
+ self.hide_menu = None
+ ## Unique ID (from gui_manager)
+ self.uid = None
+ self.x_size = None
+ ## Default locations
+ # self._default_save_location = os.getcwd()
+ self.size = None
+ self.vl_ind = 0
+ ## Graph
+ # self.graph = Graph()
+ self.graph.xaxis("\\rm{Q}", 'A^{-1}')
+ self.graph.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ self.graph.render(self)
+ self.cursor_id = None
+
+ # In resizing event
+ self.resizing = False
+ self.canvas.set_resizing(self.resizing)
+ self.Bind(wx.EVT_SIZE, self._OnReSize)
+ self.parent.SetFocus()
+
+ # If true, there are 3 qrange bars
+ self.is_corfunc = False
+
+
+ def get_symbol_label(self):
+ """
+ Associates label to symbol
+ """
+ _labels = {}
+ i = 0
+ _labels['Circle'] = i
+ i += 1
+ _labels['Cross X '] = i
+ i += 1
+ _labels['Triangle Down'] = i
+ i += 1
+ _labels['Triangle Up'] = i
+ i += 1
+ _labels['Triangle Left'] = i
+ i += 1
+ _labels['Triangle Right'] = i
+ i += 1
+ _labels['Cross +'] = i
+ i += 1
+ _labels['Square'] = i
+ i += 1
+ _labels['diamond'] = i
+ i += 1
+ _labels['Diamond'] = i
+ i += 1
+ _labels['Hexagon1'] = i
+ i += 1
+ _labels['Hexagon2'] = i
+ i += 1
+ _labels['Pentagon'] = i
+ i += 1
+ _labels['Line'] = i
+ i += 1
+ _labels['Dash'] = i
+ i += 1
+ _labels['Vline'] = i
+ i += 1
+ _labels['Step'] = i
+ return _labels
+
+ def get_color_label(self):
+ """
+ Associates label to a specific color
+ """
+ _labels = {}
+ i = 0
+ _labels['Blue'] = i
+ i += 1
+ _labels['Green'] = i
+ i += 1
+ _labels['Red'] = i
+ i += 1
+ _labels['Cyan'] = i
+ i += 1
+ _labels['Magenta'] = i
+ i += 1
+ _labels['Yellow'] = i
+ i += 1
+ _labels['Black'] = i
+ return _labels
+
+
+ def set_data(self, list=None):
+ """
+ """
+ pass
+
+ def _reset(self):
+ """
+ Resets internal data and graph
+ """
+ self.graph.reset()
+ self.plots = {}
+ self.is_zoomed = False
+
+ def _OnReSize(self, event):
+ """
+ On response of the resize of a panel, set axes_visiable False
+ """
+ # It was found that wx >= 2.9.3 sends an event even if no size changed.
+ # So manually recode the size (=x_size) and compare here.
+ # Massy code to work around:<
+ if self.parent._mgr != None:
+ max_panel = self.parent._mgr.GetPane(self)
+ if max_panel.IsMaximized():
+ self.parent._mgr.RestorePane(max_panel)
+ max_panel.Maximize()
+ if self.x_size != None:
+ if self.x_size == self.GetSize():
+ self.resizing = False
+ self.canvas.set_resizing(self.resizing)
+ return
+ self.x_size = self.GetSize()
+
+ # Ready for another event
+ # Do not remove this Skip. Otherwise it will get runtime error on wx>=2.9.
+ event.Skip()
+ # set the resizing flag
+ self.resizing = True
+ self.canvas.set_resizing(self.resizing)
+ self.parent.set_schedule(True)
+ pos_x, pos_y = self.GetPositionTuple()
+ if pos_x != 0 and pos_y != 0:
+ self.size, _ = self.GetClientSizeTuple()
+ self.SetSizer(self.sizer)
+ wx.CallAfter(self.parent.disable_app_menu, self)
+
+ def on_plot_qrange(self, event=None):
+ """
+ On Qmin Qmax vertical line event
+ """
+ if event == None:
+ return
+ event.Skip()
+ active_ctrl = event.active
+ if active_ctrl == None:
+ return
+ if hasattr(event, 'is_corfunc'):
+ self.is_corfunc = event.is_corfunc
+ if event.id in self.plots.keys():
+ ctrl = event.ctrl
+ self.cursor_id = event.id
+ # Set line position and color
+ colors = ['red', 'purple']
+ x_data = self.plots[self.cursor_id].x
+ values = [max(x_data.min(), float(ctrl[0].GetValue())),
+ min(x_data.max(), float(ctrl[1].GetValue()))]
+ if len(ctrl) == 3:
+ colors.append('purple')
+ values.append(min(x_data.max(), float(ctrl[2].GetValue())))
+ if self.ly == None:
+ self.ly = []
+ for c, v in zip(colors, values):
+ h = self.subplot.axvline(x=v, color=c, lw=2.5, alpha=0.7)
+ h.set_rasterized(True)
+ self.ly.append(h)
+ try:
+ # Display x,y in the status bar if possible
+ xval = float(active_ctrl.GetValue())
+ position = self.get_data_xy_vals(xval)
+ if position != None and not self.is_corfunc:
+ wx.PostEvent(self.parent, StatusEvent(status=position))
+ except:
+ logging.error(sys.exc_value)
+ if not event.leftdown:
+ # text event
+ try:
+ is_moved = False
+ for h, v in zip(self.ly, values):
+ # check if vline moved
+ if h.get_xdata() != v:
+ h.set_xdata(v)
+ is_moved = True
+ if is_moved:
+ self.canvas.draw()
+ except:
+ logging.error(sys.exc_value)
+ event.Skip()
+ return
+ self.q_ctrl = ctrl
+ for h, c, v in zip(self.ly, colors, values):
+ h.set_color(c)
+ h.set_xdata(v)
+ self.canvas.draw()
+ else:
+ self.q_ctrl = None
+
+ def get_data_xy_vals(self, xval):
+ """
+ Get x, y data values near x = x_val
+ """
+ try:
+ x_data = self.plots[self.cursor_id].x
+ y_data = self.plots[self.cursor_id].y
+ indx = self._find_nearest(x_data, xval)
+ pos_x = x_data[indx]
+ pos_y = y_data[indx]
+ position = str(pos_x), str(pos_y)
+ return position
+ except:
+ return None
+
+ def _find_nearest(self, array, value):
+ """
+ Find and return the nearest value in array to the value.
+ Used in cusor_line()
+ :Param array: numpy array
+ :Param value: float
+ """
+ idx = (numpy.abs(array - value)).argmin()
+ return int(idx) # array.flat[idx]
+
+ def _check_line_positions(self, pos_x=None, nop=None):
+ """
+ Check vertical line positions
+ :Param pos_x: position of the current line [float]
+ :Param nop: number of plots [int]
+ """
+ ly = self.ly
+ ly0x = ly[0].get_xdata()
+ ly1x = ly[1].get_xdata()
+ ly2x = None
+ if self.is_corfunc: ly2x = ly[2].get_xdata()
+ self.q_ctrl[0].SetBackgroundColour('white')
+ self.q_ctrl[1].SetBackgroundColour('white')
+ if ly0x >= ly1x:
+ if self.vl_ind == 0:
+ ly[1].set_xdata(pos_x)
+ ly[1].set_zorder(nop)
+ self.q_ctrl[1].SetValue(str(pos_x))
+ self.q_ctrl[0].SetBackgroundColour('pink')
+ elif self.vl_ind == 1:
+ ly[0].set_xdata(pos_x)
+ ly[0].set_zorder(nop)
+ self.q_ctrl[0].SetValue(str(pos_x))
+ self.q_ctrl[1].SetBackgroundColour('pink')
+ elif ly2x is not None and ly1x >= ly2x:
+ if self.vl_ind == 1:
+ ly[2].set_xdata(posx)
+ ly[2].set_zorder(nop)
+ self.q_ctrl[2].SetValue(str(pos_x))
+ elif self.vl_ind == 2:
+ ly[1].set_xdata(posx)
+ ly[1].set_zorder(nop)
+ self.q_ctrl[1].SetValue(str(pos_x))
+
+
+ def _get_cusor_lines(self, event):
+ """
+ Revmove or switch cursor line if drawn
+ :Param event: LeftClick mouse event
+ """
+ ax = event.inaxes
+ if hasattr(event, "action"):
+ dclick = event.action == 'dclick'
+ if ax == None or dclick:
+ # remove the vline
+ self._check_zoom_plot()
+ self.canvas.draw()
+ self.q_ctrl = None
+ return
+ if self.ly != None and event.xdata != None:
+ # Selecting a new line if cursor lines are displayed already
+ dqmin = math.fabs(event.xdata - self.ly[0].get_xdata())
+ dqmax = math.fabs(event.xdata - self.ly[1].get_xdata())
+ if not self.is_corfunc:
+ is_qmax = dqmin > dqmax
+ if is_qmax:
+ self.vl_ind = 1
+ else:
+ self.vl_ind = 0
+ else:
+ dqmax2 = math.fabs(event.xdata - self.ly[2].get_xdata())
+ closest = min(dqmin, dqmax, dqmax2)
+ self.vl_ind = { dqmin: 0, dqmax: 1, dqmax2: 2 }.get(closest)
+
+ def cusor_line(self, event):
+ """
+ Move the cursor line to write Q range
+ """
+ if self.q_ctrl == None:
+ return
+ # release a q range vline
+ if self.ly != None and not self.leftdown:
+ for ly in self.ly:
+ ly.set_alpha(0.7)
+ self.canvas.draw()
+ return
+ ax = event.inaxes
+ if ax == None or not hasattr(event, 'action'):
+ return
+ end_drag = event.action != 'drag' and event.xdata != None
+ nop = len(self.plots)
+ pos_x, _ = float(event.xdata), float(event.ydata)
+ try:
+ ly = self.ly
+ ly0x = ly[0].get_xdata()
+ ly1x = ly[1].get_xdata()
+ if ly0x == ly1x:
+ if ly[0].get_zorder() > ly[1].get_zorder():
+ self.vl_ind = 0
+ else:
+ self.vl_ind = 1
+ vl_ind = self.vl_ind
+ x_data = self.plots[self.cursor_id].x
+ xmin = x_data.min()
+ xmax = x_data.max()
+ indx = self._find_nearest(x_data, pos_x)
+ # Need to hold LeftButton to drag
+ if end_drag:
+ if event.button:
+ self._check_line_positions(pos_x, nop)
+ return
+ if indx >= len(x_data):
+ indx = len(x_data) - 1
+ pos_x = x_data[indx]
+ if xmin == ly1x:
+ vl_ind = 1
+ elif xmax == ly0x:
+ vl_ind = 0
+ else:
+ ly[vl_ind].set_xdata(pos_x)
+ ly[vl_ind].set_zorder(nop + 1)
+ self._check_line_positions(pos_x, nop)
+ ly[vl_ind].set_xdata(pos_x)
+ ly[vl_ind].set_alpha(1.0)
+ ly[vl_ind].set_zorder(nop + 1)
+ self.canvas.draw()
+ self.q_ctrl[vl_ind].SetValue(str(pos_x))
+ except:
+ logging.error(sys.exc_value)
+
+ def set_resizing(self, resizing=False):
+ """
+ Set the resizing (True/False)
+ """
+ self.resizing = resizing
+ # self.canvas.set_resizing(resizing)
+
+ def schedule_full_draw(self, func='append'):
+ """
+ Put self in schedule to full redraw list
+ """
+ # append/del this panel in the schedule list
+ self.parent.set_schedule_full_draw(self, func)
+
+ def remove_data_by_id(self, id):
+ """
+ Remove data from plot
+ """
+ if id in self.plots.keys():
+ data = self.plots[id]
+ self.graph.delete(data)
+ data_manager = self._manager.parent.get_data_manager()
+ data_list, theory_list = data_manager.get_by_id(id_list=[id])
+
+ if id in data_list.keys():
+ data = data_list[id]
+ if id in theory_list.keys():
+ data = theory_list[id]
+
+ del self.plots[id]
+ self.graph.render(self)
+ self.subplot.figure.canvas.draw_idle()
+ if len(self.graph.plottables) == 0:
+ # onRemove: graph is empty must be the panel must be destroyed
+ self.parent.delete_panel(self.uid)
+
+ def plot_data(self, data):
+ """
+ Data is ready to be displayed
+
+ :param event: data event
+ """
+ if data.__class__.__name__ == 'Data2D':
+ return
+ plot_keys = self.plots.keys()
+ if data.id in plot_keys:
+ # Recover panel prop.s
+ xlo, xhi = self.subplot.get_xlim()
+ ylo, yhi = self.subplot.get_ylim()
+ old_data = self.plots[data.id]
+ if self._is_changed_legend_label:
+ data.label = old_data.label
+ if old_data.__class__.__name__ == 'Data1D':
+ data.custom_color = old_data.custom_color
+ data.symbol = old_data.symbol
+ data.markersize = old_data.markersize
+ data.zorder = len(plot_keys)
+ # Replace data
+ self.graph.replace(data)
+ self.plots[data.id] = data
+ ## Set the view scale for all plots
+ try:
+ self._onEVT_FUNC_PROPERTY()
+ except Exception, exc:
+ wx.PostEvent(self.parent,
+ StatusEvent(status="Plotting Error: %s" % str(exc), info="error"))
+ if self.is_zoomed:
+ # Recover the x,y limits
+ self.subplot.set_xlim((xlo, xhi))
+ self.subplot.set_ylim((ylo, yhi))
+ else:
+ self.plots[data.id] = data
+ self.graph.add(self.plots[data.id])
+ data.zorder = len(plot_keys)
+ ## Set the view scale for all plots
+ try:
+ self._onEVT_FUNC_PROPERTY()
+ if IS_MAC:
+ # MAC: forcing to plot 2D avg
+ self.canvas._onDrawIdle()
+ except Exception, exc:
+ wx.PostEvent(self.parent, StatusEvent(status=\
+ "Plotting Error: %s" % str(exc), info="error"))
+ self.toolbar.update()
+ self.is_zoomed = False
+
+ def draw_plot(self):
+ """
+ Draw plot
+ """
+ self.draw()
+
+ def onLeftDown(self, event):
+ """
+ left button down and ready to drag
+ Display the position of the mouse on the statusbar
+ """
+ # self.parent.set_plot_unfocus()
+ self._get_cusor_lines(event)
+ ax = event.inaxes
+ PlotPanel.onLeftDown(self, event)
+ if ax != None:
+ try:
+ pos_x = float(event.xdata) # / size_x
+ pos_y = float(event.ydata) # / size_y
+ pos_x = "%8.3g" % pos_x
+ pos_y = "%8.3g" % pos_y
+ self.position = str(pos_x), str(pos_y)
+ wx.PostEvent(self.parent, StatusEvent(status=self.position))
+ except:
+ self.position = None
+ # unfocus all
+ self.parent.set_plot_unfocus()
+ # post nd event to notify guiframe that this panel is on focus
+ wx.PostEvent(self.parent, PanelOnFocusEvent(panel=self))
+
+
+ def _ontoggle_hide_error(self, event):
+ """
+ Toggle error display to hide or show
+ """
+ menu = event.GetEventObject()
+ event_id = event.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ # Check zoom
+ xlo, xhi = self.subplot.get_xlim()
+ ylo, yhi = self.subplot.get_ylim()
+
+ selected_plot = self.plots[self.graph.selected_plottable]
+ if self.hide_menu.GetText() == "Hide Error Bar":
+ selected_plot.hide_error = True
+ else:
+ selected_plot.hide_error = False
+ ## increment graph color
+ self.graph.render(self)
+ self.subplot.figure.canvas.draw_idle()
+ if self.is_zoomed:
+ # Recover the x,y limits
+ self.subplot.set_xlim((xlo, xhi))
+ self.subplot.set_ylim((ylo, yhi))
+ self.graph.selected_plottable = None
+
+
+ def _onRemove(self, event):
+ """
+ Remove a plottable from the graph and render the graph
+
+ :param event: Menu event
+
+ """
+ menu = event.GetEventObject()
+ event_id = event.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ ## Check if there is a selected graph to remove
+ if self.graph.selected_plottable in self.plots.keys():
+ graph_id = self.graph.selected_plottable
+ self.remove_data_by_id(graph_id)
+
+ def onContextMenu(self, event):
+ """
+ 1D plot context menu
+
+ :param event: wx context event
+
+ """
+ self._slicerpop = PanelMenu()
+ self._slicerpop.set_plots(self.plots)
+ self._slicerpop.set_graph(self.graph)
+ ids = iter(self._menu_ids)
+
+ # Various plot options
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Save Image', 'Save image as PNG')
+ wx.EVT_MENU(self, wx_id, self.onSaveImage)
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Print Image', 'Print image ')
+ wx.EVT_MENU(self, wx_id, self.onPrint)
+
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Copy to Clipboard',
+ 'Copy to the clipboard')
+ wx.EVT_MENU(self, wx_id, self.OnCopyFigureMenu)
+
+ self._slicerpop.AppendSeparator()
+
+ for plot in self.plots.values():
+ # title = plot.title
+ name = plot.name
+ plot_menu = wx.Menu()
+ if self.graph.selected_plottable:
+ if not self.graph.selected_plottable in self.plots.keys():
+ continue
+ if plot != self.plots[self.graph.selected_plottable]:
+ continue
+
+ wx_id = ids.next()
+ plot_menu.Append(wx_id, "&DataInfo", name)
+ wx.EVT_MENU(self, wx_id, self. _onDataShow)
+ wx_id = ids.next()
+ plot_menu.Append(wx_id, "&Save Points as a File", name)
+ wx.EVT_MENU(self, wx_id, self._onSave)
+ plot_menu.AppendSeparator()
+
+ # add menu of other plugins
+ item_list = self.parent.get_current_context_menu(self)
+ if (not item_list == None) and (not len(item_list) == 0):
+ for item, wx_id in zip(item_list, [ids.next() for i in range(len(item_list))]):
+
+ try:
+ plot_menu.Append(wx_id, item[0], name)
+ wx.EVT_MENU(self, wx_id, item[2])
+ except:
+ msg = "ModelPanel1D.onContextMenu: "
+ msg += "bad menu item %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ plot_menu.AppendSeparator()
+
+ if self.parent.ClassName.count('wxDialog') == 0:
+ if plot.id != 'fit':
+ wx_id = ids.next()
+ plot_menu.Append(wx_id, '&Linear Fit', name)
+ wx.EVT_MENU(self, wx_id, self.onFitting)
+ plot_menu.AppendSeparator()
+
+ wx_id = ids.next()
+ plot_menu.Append(wx_id, "Remove", name)
+ wx.EVT_MENU(self, wx_id, self._onRemove)
+ if not plot.is_data:
+ wx_id = ids.next()
+ plot_menu.Append(wx_id, '&Freeze', name)
+ wx.EVT_MENU(self, wx_id, self.onFreeze)
+ plot_menu.AppendSeparator()
+
+ if plot.is_data:
+ wx_id = ids.next()
+ self.hide_menu = plot_menu.Append(wx_id, "Hide Error Bar", name)
+
+ if plot.dy is not None and plot.dy != []:
+ if plot.hide_error:
+ self.hide_menu.SetText('Show Error Bar')
+ else:
+ self.hide_menu.SetText('Hide Error Bar')
+ else:
+ self.hide_menu.Enable(False)
+ wx.EVT_MENU(self, wx_id, self._ontoggle_hide_error)
+
+ plot_menu.AppendSeparator()
+
+ wx_id = ids.next()
+ plot_menu.Append(wx_id, '&Modify Plot Property', name)
+ wx.EVT_MENU(self, wx_id, self.createAppDialog)
+ wx_id = ids.next()
+ # plot_menu.SetTitle(name)
+ self._slicerpop.AppendMenu(wx_id, '&%s' % name, plot_menu)
+ # Option to hide
+ # TODO: implement functionality to hide a plottable (legend click)
+
+ self._slicerpop.AppendSeparator()
+ loc_menu = wx.Menu()
+ for label in self._loc_labels:
+ wx_id = ids.next()
+ loc_menu.Append(wx_id, str(label), str(label))
+ wx.EVT_MENU(self, wx_id, self.onChangeLegendLoc)
+
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Modify Graph Appearance',
+ 'Modify graph appearance')
+ wx.EVT_MENU(self, wx_id, self.modifyGraphAppearance)
+ self._slicerpop.AppendSeparator()
+
+
+ if self.position != None:
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Add Text')
+ wx.EVT_MENU(self, wx_id, self._on_addtext)
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Remove Text')
+ wx.EVT_MENU(self, wx_id, self._on_removetext)
+ self._slicerpop.AppendSeparator()
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Change Scale')
+ wx.EVT_MENU(self, wx_id, self._onProperties)
+ self._slicerpop.AppendSeparator()
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Set Graph Range')
+ wx.EVT_MENU(self, wx_id, self.onSetRange)
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Reset Graph Range')
+ wx.EVT_MENU(self, wx_id, self.onResetGraph)
+
+ if self.parent.ClassName.count('wxDialog') == 0:
+ self._slicerpop.AppendSeparator()
+ wx_id = ids.next()
+ self._slicerpop.Append(wx_id, '&Window Title')
+ wx.EVT_MENU(self, wx_id, self.onChangeCaption)
+ try:
+ pos_evt = event.GetPosition()
+ pos = self.ScreenToClient(pos_evt)
+ except:
+ pos_x, pos_y = self.toolbar.GetPositionTuple()
+ pos = (pos_x, pos_y + 5)
+ self.PopupMenu(self._slicerpop, pos)
+
+ def onSetRange(self, event):
+ # Display dialog
+ # self.subplot.set_xlim((low, high))
+ # self.subplot.set_ylim((low, high))
+ from sas.sasgui.plottools.RangeDialog import RangeDialog
+ d = RangeDialog(self, -1)
+ xlim = self.subplot.get_xlim()
+ ylim = self.subplot.get_ylim()
+ d.SetXRange(xlim)
+ d.SetYRange(ylim)
+ if d.ShowModal() == wx.ID_OK:
+ x_range = d.GetXRange()
+ y_range = d.GetYRange()
+ if x_range is not None and y_range is not None:
+ self.subplot.set_xlim(x_range)
+ self.subplot.set_ylim(y_range)
+ self.subplot.figure.canvas.draw_idle()
+ self.is_zoomed = True
+ d.Destroy()
+
+ def onFreeze(self, event):
+ """
+ on Freeze data
+ """
+ menu = event.GetEventObject()
+ wx_id = event.GetId()
+ self.set_selected_from_menu(menu, wx_id)
+ plot = self.plots[self.graph.selected_plottable]
+ self.parent.onfreeze([plot.id])
+
+ def _onSave(self, evt):
+ """
+ Save a data set to a text file
+
+ :param evt: Menu event
+
+ """
+ menu = evt.GetEventObject()
+ event_id = evt.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ data = self.plots[self.graph.selected_plottable]
+ default_name = data.label
+ if default_name.count('.') > 0:
+ default_name = default_name.split('.')[0]
+ default_name += "_out"
+ if self.parent != None:
+ self.parent.save_data1d(data, default_name)
+
+ def _onDataShow(self, evt):
+ """
+ Show the data set in text
+
+ :param evt: Menu event
+
+ """
+ menu = evt.GetEventObject()
+ event_id = evt.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ data = self.plots[self.graph.selected_plottable]
+ default_name = data.label
+ if default_name.count('.') > 0:
+ default_name = default_name.split('.')[0]
+ # default_name += "_out"
+ if self.parent != None:
+ self.parent.show_data1d(data, default_name)
+
+ def _on_hide(self, event):
+ """
+ Hides the plot when button is pressed
+ """
+ if self.parent is not None:
+ self.parent.hide_panel(self.uid)
+
+ def on_close(self, event):
+ """
+ On Close Event
+ """
+ ID = self.uid
+ self.parent.delete_panel(ID)
+
+ def createAppDialog(self, event):
+ """
+ Create the custom dialog for fit appearance modification
+ """
+ menu = event.GetEventObject()
+ event_id = event.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ self.appearance_selected_plot = \
+ self.plots[self.graph.selected_plottable]
+ # find current properties
+ curr_color = self.appearance_selected_plot.custom_color
+ curr_symbol = self.appearance_selected_plot.symbol
+ curr_size = self.appearance_selected_plot.markersize
+ curr_label = self.appearance_selected_plot.label
+
+ if curr_color == None:
+ curr_color = self._color_labels['Blue']
+ curr_symbol = 13
+
+ self.appD = appearanceDialog(self, 'Modify Plot Property')
+ icon = self.parent.GetIcon()
+ self.appD.SetIcon(icon)
+ self.appD.set_defaults(float(curr_size), int(curr_color),
+ str(appearanceDialog.find_key(self.get_symbol_label(),
+ int(curr_symbol))), curr_label)
+ self.appD.Bind(wx.EVT_CLOSE, self.on_AppDialog_close)
+ self.graph.selected_plottable = None
+
+ def on_AppDialog_close(self, event):
+ """
+ on_Modify Plot Property_close
+ """
+ if self.appD.okay_clicked == True:
+ info = self.appD.get_current_values()
+ self.appearance_selected_plot.custom_color = \
+ self._color_labels[info[1].encode('ascii', 'ignore')]
+
+ self.appearance_selected_plot.markersize = float(info[0])
+ self.appearance_selected_plot.symbol = \
+ self.get_symbol_label()[info[2]]
+ self.appearance_selected_plot.label = str(info[3])
+ self.appD.Destroy()
+ self._check_zoom_plot()
+
+ def modifyGraphAppearance(self, event):
+ """
+ On Modify Graph Appearance
+ """
+ self.graphApp = graphAppearance(self, 'Modify Graph Appearance')
+ icon = self.parent.GetIcon()
+ self.graphApp.SetIcon(icon)
+ self.graphApp.setDefaults(self.grid_on, self.legend_on,
+ self.xaxis_label, self.yaxis_label,
+ self.xaxis_unit, self.yaxis_unit,
+ self.xaxis_font, self.yaxis_font,
+ find_key(self.get_loc_label(), self.legendLoc),
+ self.xcolor, self.ycolor,
+ self.is_xtick, self.is_ytick)
+ self.graphApp.Bind(wx.EVT_CLOSE, self.on_graphApp_close)
+
+ def on_graphApp_close(self, event):
+ """
+ Gets values from graph appearance dialog and sends them off
+ to modify the plot
+ """
+ graph_app = self.graphApp
+ toggle_grid = graph_app.get_togglegrid()
+ legend_loc = graph_app.get_legend_loc()
+ toggle_legend = graph_app.get_togglelegend()
+
+ self.onGridOnOff(toggle_grid)
+ self.ChangeLegendLoc(legend_loc)
+ self.onLegend(toggle_legend)
+
+ self.xaxis_label = graph_app.get_xlab()
+ self.yaxis_label = graph_app.get_ylab()
+ self.xaxis_unit = graph_app.get_xunit()
+ self.yaxis_unit = graph_app.get_yunit()
+ self.xaxis_font = graph_app.get_xfont()
+ self.yaxis_font = graph_app.get_yfont()
+ self.is_xtick = graph_app.get_xtick_check()
+ self.is_ytick = graph_app.get_ytick_check()
+ if self.is_xtick:
+ self.xaxis_tick = self.xaxis_font
+ if self.is_ytick:
+ self.yaxis_tick = self.yaxis_font
+
+ self.xaxis(self.xaxis_label, self.xaxis_unit,
+ graph_app.get_xfont(), graph_app.get_xcolor(),
+ self.xaxis_tick)
+ self.yaxis(self.yaxis_label, self.yaxis_unit,
+ graph_app.get_yfont(), graph_app.get_ycolor(),
+ self.yaxis_tick)
+
+ graph_app.Destroy()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/Plotter2D.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/Plotter2D.py
new file mode 100644
index 0000000..5672338
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/Plotter2D.py
@@ -0,0 +1,799 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2008, University of Tennessee
+################################################################################
+
+
+import wx
+import sys
+import math
+import numpy
+import logging
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Graph
+from sas.sasgui.plottools.TextDialog import TextDialog
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import PanelOnFocusEvent
+from sas.sasgui.guiframe.events import SlicerEvent
+from sas.sasgui.guiframe.utils import PanelMenu
+from sas.sasgui.guiframe.local_perspectives.plotting.binder import BindArtist
+from Plotter1D import ModelPanel1D
+from sas.sasgui.plottools.toolbar import NavigationToolBar
+from matplotlib.font_manager import FontProperties
+from graphAppearance import graphAppearance
+(InternalEvent, EVT_INTERNAL) = wx.lib.newevent.NewEvent()
+
+DEFAULT_QMAX = 0.05
+DEFAULT_QSTEP = 0.001
+DEFAULT_BEAM = 0.005
+BIN_WIDTH = 1.0
+
+
+def find_key(dic, val):
+ """return the key of dictionary dic given the value"""
+ return [k for k, v in dic.iteritems() if v == val][0]
+
+
+class NavigationToolBar2D(NavigationToolBar):
+ """
+ """
+ def __init__(self, canvas, parent=None):
+ NavigationToolBar.__init__(self, canvas=canvas, parent=parent)
+
+ def delete_option(self):
+ """
+ remove default toolbar item
+ """
+ #delete reset button
+ self.DeleteToolByPos(0)
+ #delete dragging
+ self.DeleteToolByPos(2)
+ #delete unwanted button that configures subplot parameters
+ self.DeleteToolByPos(4)
+
+ def add_option(self):
+ """
+ add item to the toolbar
+ """
+ #add button
+ id_context = wx.NewId()
+ context_tip = 'Graph Menu'
+ context = wx.ArtProvider.GetBitmap(wx.ART_LIST_VIEW, wx.ART_TOOLBAR)
+ self.InsertSimpleTool(0, id_context, context, context_tip, context_tip)
+ wx.EVT_TOOL(self, id_context, self.parent.onToolContextMenu)
+ self.InsertSeparator(1)
+ #add print button
+ id_print = wx.NewId()
+ print_bmp = wx.ArtProvider.GetBitmap(wx.ART_PRINT, wx.ART_TOOLBAR)
+ self.AddSimpleTool(id_print, print_bmp, 'Print', 'Activate printing')
+ wx.EVT_TOOL(self, id_print, self.on_print)
+
+
+class ModelPanel2D(ModelPanel1D):
+ """
+ Plot panel for use with the GUI manager
+ """
+
+ ## Internal name for the AUI manager
+ window_name = "plotpanel"
+ ## Title to appear on top of the window
+ window_caption = "Plot Panel"
+ ## Flag to tell the GUI manager that this panel is not
+ # tied to any perspective
+ ALWAYS_ON = True
+ ## Group ID
+ group_id = None
+
+
+ def __init__(self, parent, id=-1, data2d=None, color=None,
+ dpi=None, style=wx.NO_FULL_REPAINT_ON_RESIZE, **kwargs):
+ """
+ Initialize the panel
+ """
+ ModelPanel1D.__init__(self, parent, id=id, style=style, **kwargs)
+ self.parent = parent
+ ## Reference to the parent window
+ if hasattr(parent, "parent"):
+ self.parent = self.parent.parent
+ ## Dictionary containing Plottables
+ self.plots = {}
+ ## Save reference of the current plotted
+ self.data2D = data2d
+ ## Unique ID (from gui_manager)
+ self.uid = None
+ ## Action IDs for internal call-backs
+ self.action_ids = {}
+ ## Create Artist and bind it
+ self.connect = BindArtist(self.subplot.figure)
+ ## Beam stop
+ self.beamstop_radius = DEFAULT_BEAM
+ ## to set the order of lines drawn first.
+ self.slicer_z = 5
+ ## Reference to the current slicer
+ self.slicer = None
+ ## event to send slicer info
+ self.Bind(EVT_INTERNAL, self._onEVT_INTERNAL)
+
+ self.axes_frozen = False
+ ## panel that contains result from slicer motion (ex: Boxsum info)
+ self.panel_slicer = None
+ self.title_label = None
+ self.title_font = None
+ self.title_color = 'black'
+ ## Graph
+ self.graph = Graph()
+ self.graph.xaxis("\\rm{Q}", 'A^{-1}')
+ self.graph.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ self.graph.render(self)
+ ## store default value of zmin and zmax
+ self.default_zmin_ctl = self.zmin_2D
+ self.default_zmax_ctl = self.zmax_2D
+
+ def on_plot_qrange(self, event=None):
+ """
+ On Qmin Qmax vertical line event
+ """
+ # Not implemented
+ if event == None:
+ return
+ event.Skip()
+
+ def onLeftDown(self, event):
+ """
+ left button down and ready to drag
+
+ """
+ # Check that the LEFT button was pressed
+ PlotPanel.onLeftDown(self, event)
+ ax = event.inaxes
+ if ax != None:
+ # data coordinate position
+ pos_x = "%8.3g" % event.xdata
+ pos_y = "%8.3g" % event.ydata
+ position = "x: %s y: %s" % (pos_x, pos_y)
+ wx.PostEvent(self.parent, StatusEvent(status=position))
+ self.plottable_selected(self.data2D.id)
+ self._manager.set_panel_on_focus(self)
+ wx.PostEvent(self.parent, PanelOnFocusEvent(panel=self))
+
+ def add_toolbar(self):
+ """
+ add toolbar
+ """
+ self.enable_toolbar = True
+ self.toolbar = NavigationToolBar2D(parent=self, canvas=self.canvas)
+ self.toolbar.Realize()
+ # On Windows platform, default window size is incorrect, so set
+ # toolbar width to figure width.
+ _, th = self.toolbar.GetSizeTuple()
+ fw, _ = self.canvas.GetSizeTuple()
+ self.toolbar.SetSize(wx.Size(fw, th))
+ self.sizer.Add(self.toolbar, 0, wx.LEFT | wx.EXPAND)
+ # update the axes menu on the toolbar
+ self.toolbar.update()
+
+ def plot_data(self, data):
+ """
+ Data is ready to be displayed
+
+ :TODO: this name should be changed to something more appropriate
+ Don't forget that changing this name will mean changing code
+ in plotting.py
+
+ :param event: data event
+ """
+ xlo = None
+ xhi = None
+ ylo = None
+ yhi = None
+ if data.__class__.__name__ == 'Data1D':
+ return
+ ## Update self.data2d with the current plot
+ self.data2D = data
+ if data.id in self.plots.keys():
+ #replace
+ xlo, xhi = self.subplot.get_xlim()
+ ylo, yhi = self.subplot.get_ylim()
+ self.graph.replace(data)
+ self.plots[data.id] = data
+ else:
+ self.plots[data.id] = data
+ self.graph.add(self.plots[data.id])
+ # update qmax with the new xmax of data plotted
+ self.qmax = data.xmax
+ self.slicer = None
+ # Check axis labels
+ #TODO: Should re-factor this
+ ## render the graph with its new content
+ #data2D: put 'Pixel (Number)' for axis title and unit in case of having no detector info and none in _units
+ if len(data.detector) < 1:
+ if len(data._xunit) < 1 and len(data._yunit) < 1:
+ data._xaxis = '\\rm{x}'
+ data._yaxis = '\\rm{y}'
+ data._xunit = 'pixel'
+ data._yunit = 'pixel'
+ # graph properties
+ self.graph.xaxis(data._xaxis, data._xunit)
+ self.graph.yaxis(data._yaxis, data._yunit)
+ if self._is_changed_legend_label:
+ data.label = self.title_label
+ if data.label == None:
+ data.label = data.name
+ if not self.title_font:
+ self.graph.title(data.label)
+ self.graph.render(self)
+ # Set the axis labels on subplot
+ self._set_axis_labels()
+ self.draw_plot()
+ else:
+ self.graph.render(self)
+ self.draw_plot()
+ self.subplot.set_title(label=data.label,
+ fontproperties=self.title_font,
+ color=self.title_color)
+ self.subplot.figure.canvas.draw_idle()
+ ## store default value of zmin and zmax
+ self.default_zmin_ctl = self.zmin_2D
+ self.default_zmax_ctl = self.zmax_2D
+ if not self.is_zoomed:
+ return
+ # Recover the x,y limits
+ if xlo and xhi and ylo and yhi:
+ if xlo > data.xmin and xhi < data.xmax and \
+ ylo > data.ymin and yhi < data.ymax:
+ self.subplot.set_xlim((xlo, xhi))
+ self.subplot.set_ylim((ylo, yhi))
+ else:
+ self.toolbar.update()
+ self.is_zoomed = False
+
+ def _set_axis_labels(self):
+ """
+ Set axis labels
+ """
+ data = self.data2D
+ # control axis labels from the panel itself
+ yname, yunits = data.get_yaxis()
+ if self.yaxis_label != None:
+ yname = self.yaxis_label
+ yunits = self.yaxis_unit
+ else:
+ self.yaxis_label = yname
+ self.yaxis_unit = yunits
+ xname, xunits = data.get_xaxis()
+ if self.xaxis_label != None:
+ xname = self.xaxis_label
+ xunits = self.xaxis_unit
+ else:
+ self.xaxis_label = xname
+ self.xaxis_unit = xunits
+ self.xaxis(xname, xunits, self.xaxis_font,
+ self.xaxis_color, self.xaxis_tick)
+ self.yaxis(yname, yunits, self.yaxis_font,
+ self.yaxis_color, self.yaxis_tick)
+
+ def onContextMenu(self, event):
+ """
+ 2D plot context menu
+
+ :param event: wx context event
+
+ """
+ ids = iter(self._menu_ids)
+ slicerpop = PanelMenu()
+ slicerpop.set_plots(self.plots)
+ slicerpop.set_graph(self.graph)
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Save Image', 'Save image as png')
+ wx.EVT_MENU(self, wx_id, self.onSaveImage)
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Print Image', 'Print image')
+ wx.EVT_MENU(self, wx_id, self.onPrint)
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Copy to Clipboard', 'Copy to the clipboard')
+ wx.EVT_MENU(self, wx_id, self.OnCopyFigureMenu)
+ slicerpop.AppendSeparator()
+ # saving data
+ plot = self.data2D
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, "&Data Info")
+ wx.EVT_MENU(self, wx_id, self._onDataShow)
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, "&Save as a File (DAT)")
+ self.action_ids[str(wx_id)] = plot
+ wx.EVT_MENU(self, wx_id, self._onSave)
+
+ slicerpop.AppendSeparator()
+ if len(self.data2D.detector) <= 1:
+ item_list = self.parent.get_current_context_menu(self)
+ if (not item_list == None) and (not len(item_list) == 0) and\
+ self.data2D.name.split(" ")[0] != 'Residuals':
+ for item, wx_id in zip(item_list, [ids.next() for i in range(len(item_list))]):
+ try:
+ slicerpop.Append(wx_id, item[0], item[1])
+ wx.EVT_MENU(self, wx_id, item[2])
+ except:
+ msg = "ModelPanel1D.onContextMenu: "
+ msg += "bad menu item %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ slicerpop.AppendSeparator()
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Perform Circular Average')
+ wx.EVT_MENU(self, wx_id, self.onCircular) \
+ # For Masked Data
+ if not plot.mask.all():
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Masked Circular Average')
+ wx.EVT_MENU(self, wx_id, self.onMaskedCircular)
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Sector [Q View]')
+ wx.EVT_MENU(self, wx_id, self.onSectorQ)
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Annulus [Phi View ]')
+ wx.EVT_MENU(self, wx_id, self.onSectorPhi)
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Box Sum')
+ wx.EVT_MENU(self, wx_id, self.onBoxSum)
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Box Averaging in Qx')
+ wx.EVT_MENU(self, wx_id, self.onBoxavgX)
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Box Averaging in Qy')
+ wx.EVT_MENU(self, wx_id, self.onBoxavgY)
+ if self.slicer != None:
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Clear Slicer')
+ wx.EVT_MENU(self, wx_id, self.onClearSlicer)
+ if self.slicer.__class__.__name__ != "BoxSum":
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Edit Slicer Parameters')
+ wx.EVT_MENU(self, wx_id, self._onEditSlicer)
+ slicerpop.AppendSeparator()
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Edit Graph Label', 'Edit Graph Label')
+ wx.EVT_MENU(self, wx_id, self.onEditLabels)
+ slicerpop.AppendSeparator()
+
+ # ILL mod here
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Modify graph appearance', 'Modify graph appearance')
+ wx.EVT_MENU(self, wx_id, self.modifyGraphAppearance)
+ slicerpop.AppendSeparator()
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&2D Color Map')
+ wx.EVT_MENU(self, wx_id, self._onEditDetector)
+ slicerpop.AppendSeparator()
+
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Toggle Linear/Log Scale')
+ wx.EVT_MENU(self, wx_id, self._onToggleScale)
+
+ slicerpop.AppendSeparator()
+ wx_id = ids.next()
+ slicerpop.Append(wx_id, '&Window Title')
+ wx.EVT_MENU(self, wx_id, self.onChangeCaption)
+
+ try:
+ pos_evt = event.GetPosition()
+ pos = self.ScreenToClient(pos_evt)
+ except:
+ pos_x, pos_y = self.toolbar.GetPositionTuple()
+ pos = (pos_x, pos_y + 5)
+ self.PopupMenu(slicerpop, pos)
+
+ def onEditLabels(self, event):
+ """
+ Edit legend label
+ """
+ try:
+ selected_plot = self.plots[self.graph.selected_plottable]
+ except:
+ selected_plot = self.plots[self.data2D.id]
+ label = selected_plot.label
+ dial = TextDialog(None, -1, 'Change Label', label)
+ if dial.ShowModal() == wx.ID_OK:
+ try:
+ FONT = FontProperties()
+ newlabel = dial.getText()
+ font = FONT.copy()
+ font.set_size(dial.getSize())
+ font.set_family(dial.getFamily())
+ font.set_style(dial.getStyle())
+ font.set_weight(dial.getWeight())
+ colour = dial.getColor()
+ if len(newlabel) > 0:
+ # update Label
+ selected_plot.label = newlabel
+ self.graph.title(newlabel)
+ self.title_label = selected_plot.label
+ self.title_font = font
+ self.title_color = colour
+ ## render the graph
+ self.subplot.set_title(label=self.title_label,
+ fontproperties=self.title_font,
+ color=self.title_color)
+ self._is_changed_legend_label = True
+ self.subplot.figure.canvas.draw_idle()
+ except:
+ msg = "Add Text: Error. Check your property values..."
+ logging.error(msg)
+ if self.parent != None:
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ dial.Destroy()
+
+ def _onEditDetector(self, event):
+ """
+ Allow to view and edits detector parameters
+
+ :param event: wx.menu event
+
+ """
+ import detector_dialog
+ dialog = detector_dialog.DetectorDialog(self, -1, base=self.parent,
+ reset_zmin_ctl=self.default_zmin_ctl,
+ reset_zmax_ctl=self.default_zmax_ctl, cmap=self.cmap)
+ ## info of current detector and data2D
+ xnpts = len(self.data2D.x_bins)
+ ynpts = len(self.data2D.y_bins)
+ xmax = max(self.data2D.xmin, self.data2D.xmax)
+ ymax = max(self.data2D.ymin, self.data2D.ymax)
+ qmax = math.sqrt(math.pow(xmax, 2) + math.pow(ymax, 2))
+ ## set dialog window content
+ dialog.setContent(xnpts=xnpts, ynpts=ynpts, qmax=qmax,
+ beam=self.data2D.xmin,
+ zmin=self.zmin_2D,
+ zmax=self.zmax_2D)
+ if dialog.ShowModal() == wx.ID_OK:
+ evt = dialog.getContent()
+ self.zmin_2D = evt.zmin
+ self.zmax_2D = evt.zmax
+ self.cmap = evt.cmap
+ dialog.Destroy()
+ ## Redraw the current image
+ self.image(data=self.data2D.data,
+ qx_data=self.data2D.qx_data,
+ qy_data=self.data2D.qy_data,
+ xmin=self.data2D.xmin,
+ xmax=self.data2D.xmax,
+ ymin=self.data2D.ymin,
+ ymax=self.data2D.ymax,
+ zmin=self.zmin_2D,
+ zmax=self.zmax_2D,
+ cmap=self.cmap,
+ color=0, symbol=0, label=self.data2D.name)
+ self.subplot.figure.canvas.draw_idle()
+
+ def freeze_axes(self):
+ """
+ """
+ self.axes_frozen = True
+
+ def thaw_axes(self):
+ """
+ """
+ self.axes_frozen = False
+
+ def onMouseMotion(self, event):
+ """
+ """
+ pass
+
+ def onWheel(self, event):
+ """
+ """
+ pass
+
+ def update(self, draw=True):
+ """
+ Respond to changes in the model by recalculating the
+ profiles and resetting the widgets.
+ """
+ self.draw_plot()
+
+ def _getEmptySlicerEvent(self):
+ """
+ create an empty slicervent
+ """
+ return SlicerEvent(type=None, params=None, obj_class=None)
+
+ def _onEVT_INTERNAL(self, event):
+ """
+ Draw the slicer
+
+ :param event: wx.lib.newevent (SlicerEvent) containing slicer
+ parameter
+
+ """
+ self._setSlicer(event.slicer)
+
+ def _setSlicer(self, slicer):
+ """
+ Clear the previous slicer and create a new one.Post an internal
+ event.
+
+ :param slicer: slicer class to create
+
+ """
+ ## Clear current slicer
+ if not self.slicer == None:
+ self.slicer.clear()
+ ## Create a new slicer
+ self.slicer_z += 1
+ self.slicer = slicer(self, self.subplot, zorder=self.slicer_z)
+ self.subplot.set_ylim(self.data2D.ymin, self.data2D.ymax)
+ self.subplot.set_xlim(self.data2D.xmin, self.data2D.xmax)
+ ## Draw slicer
+ self.update()
+ self.slicer.update()
+ msg = "Plotter2D._setSlicer %s" % self.slicer.__class__.__name__
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ # Post slicer event
+ event = self._getEmptySlicerEvent()
+ event.type = self.slicer.__class__.__name__
+ event.obj_class = self.slicer.__class__
+ event.params = self.slicer.get_params()
+ wx.PostEvent(self, event)
+
+ def onMaskedCircular(self, event):
+ """
+ perform circular averaging on Data2D with mask if it exists
+
+ :param event: wx.menu event
+
+ """
+ self.onCircular(event, True)
+
+ def onCircular(self, event, ismask=False):
+ """
+ perform circular averaging on Data2D
+
+ :param event: wx.menu event
+
+ """
+ # Find the best number of bins
+ npt = math.sqrt(len(self.data2D.data[numpy.isfinite(self.data2D.data)]))
+ npt = math.floor(npt)
+ from sas.sascalc.dataloader.manipulations import CircularAverage
+ ## compute the maximum radius of data2D
+ self.qmax = max(math.fabs(self.data2D.xmax),
+ math.fabs(self.data2D.xmin))
+ self.ymax = max(math.fabs(self.data2D.ymax),
+ math.fabs(self.data2D.ymin))
+ self.radius = math.sqrt(math.pow(self.qmax, 2) + math.pow(self.ymax, 2))
+ ##Compute beam width
+ bin_width = (self.qmax + self.qmax) / npt
+ ## Create data1D circular average of data2D
+ Circle = CircularAverage(r_min=0, r_max=self.radius,
+ bin_width=bin_width)
+ circ = Circle(self.data2D, ismask=ismask)
+ from sas.sasgui.guiframe.dataFitting import Data1D
+ if hasattr(circ, "dxl"):
+ dxl = circ.dxl
+ else:
+ dxl = None
+ if hasattr(circ, "dxw"):
+ dxw = circ.dxw
+ else:
+ dxw = None
+
+ new_plot = Data1D(x=circ.x, y=circ.y, dy=circ.dy, dx=circ.dx)
+ new_plot.dxl = dxl
+ new_plot.dxw = dxw
+ new_plot.name = "Circ avg " + self.data2D.name
+ new_plot.source = self.data2D.source
+ #new_plot.info = self.data2D.info
+ new_plot.interactive = True
+ new_plot.detector = self.data2D.detector
+
+ ## If the data file does not tell us what the axes are, just assume...
+ new_plot.xaxis("\\rm{Q}", "A^{-1}")
+ if hasattr(self.data2D, "scale") and \
+ self.data2D.scale == 'linear':
+ new_plot.ytransform = 'y'
+ new_plot.yaxis("\\rm{Residuals} ", "normalized")
+ else:
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+
+ new_plot.group_id = "2daverage" + self.data2D.name
+ new_plot.id = "Circ avg " + self.data2D.name
+ new_plot.is_data = True
+ self.parent.update_theory(data_id=self.data2D.id, \
+ theory=new_plot)
+ wx.PostEvent(self.parent,
+ NewPlotEvent(plot=new_plot, title=new_plot.name))
+
+ def _onEditSlicer(self, event):
+ """
+ Is available only when a slicer is drawn.Create a dialog
+ window where the user can enter value to reset slicer
+ parameters.
+
+ :param event: wx.menu event
+
+ """
+ if self.slicer != None:
+ from SlicerParameters import SlicerParameterPanel
+ dialog = SlicerParameterPanel(self, -1, "Slicer Parameters")
+ dialog.set_slicer(self.slicer.__class__.__name__,
+ self.slicer.get_params())
+ if dialog.ShowModal() == wx.ID_OK:
+ dialog.Destroy()
+
+ def onSectorQ(self, event):
+ """
+ Perform sector averaging on Q and draw sector slicer
+ """
+ from SectorSlicer import SectorInteractor
+ self.onClearSlicer(event)
+ wx.PostEvent(self, InternalEvent(slicer=SectorInteractor))
+
+ def onSectorPhi(self, event):
+ """
+ Perform sector averaging on Phi and draw annulus slicer
+ """
+ from AnnulusSlicer import AnnulusInteractor
+ self.onClearSlicer(event)
+ wx.PostEvent(self, InternalEvent(slicer=AnnulusInteractor))
+
+ def onBoxSum(self, event):
+ """
+ """
+ from sas.sasgui.guiframe.gui_manager import MDIFrame
+ from boxSum import BoxSum
+ self.onClearSlicer(event)
+ self.slicer_z += 1
+ self.slicer = BoxSum(self, self.subplot, zorder=self.slicer_z)
+ self.subplot.set_ylim(self.data2D.ymin, self.data2D.ymax)
+ self.subplot.set_xlim(self.data2D.xmin, self.data2D.xmax)
+ self.update()
+ self.slicer.update()
+ ## Value used to initially set the slicer panel
+ params = self.slicer.get_params()
+ ## Create a new panel to display results of summation of Data2D
+ from slicerpanel import SlicerPanel
+ win = MDIFrame(self.parent, None, 'None', (100, 200))
+ new_panel = SlicerPanel(parent=win, id=-1,
+ base=self, type=self.slicer.__class__.__name__,
+ params=params, style=wx.RAISED_BORDER)
+
+ new_panel.window_caption = self.slicer.__class__.__name__ + " " + \
+ str(self.data2D.name)
+ new_panel.window_name = self.slicer.__class__.__name__ + " " + \
+ str(self.data2D.name)
+ ## Store a reference of the new created panel
+
+ ## save the window_caption of the new panel in the current slicer
+ self.slicer.set_panel_name(name=new_panel.window_caption)
+ ## post slicer panel to guiframe to display it
+ from sas.sasgui.guiframe.events import SlicerPanelEvent
+
+ win.set_panel(new_panel)
+ new_panel.frame = win
+ wx.PostEvent(self.parent, SlicerPanelEvent(panel=new_panel,
+ main_panel=self))
+ wx.CallAfter(new_panel.frame.Show)
+ self.panel_slicer = new_panel
+
+ def onBoxavgX(self, event):
+ """
+ Perform 2D data averaging on Qx
+ Create a new slicer .
+
+ :param event: wx.menu event
+ """
+ from boxSlicer import BoxInteractorX
+ self.onClearSlicer(event)
+ wx.PostEvent(self, InternalEvent(slicer=BoxInteractorX))
+
+ def onBoxavgY(self, event):
+ """
+ Perform 2D data averaging on Qy
+ Create a new slicer .
+
+ :param event: wx.menu event
+
+ """
+ from boxSlicer import BoxInteractorY
+ self.onClearSlicer(event)
+ wx.PostEvent(self, InternalEvent(slicer=BoxInteractorY))
+
+ def onClearSlicer(self, event):
+ """
+ Clear the slicer on the plot
+ """
+ if not self.slicer == None:
+ self.slicer.clear()
+ self.subplot.figure.canvas.draw()
+ self.slicer = None
+ # Post slicer None event
+ event = self._getEmptySlicerEvent()
+ wx.PostEvent(self, event)
+
+ def _onSave(self, evt):
+ """
+ Save a data set to a dat(text) file
+
+ :param evt: Menu event
+
+ """
+ event_id = str(evt.GetId())
+ if self.parent != None:
+ self._default_save_location = self.parent._default_save_location
+ default_name = self.plots[self.graph.selected_plottable].label
+ if default_name.count('.') > 0:
+ default_name = default_name.split('.')[0]
+ default_name += "_out"
+ if event_id in self.action_ids:
+ self.parent.save_data2d(self.data2D, default_name)
+
+ def _onDataShow(self, evt):
+ """
+ Show the data set in text
+
+ :param evt: Menu event
+
+ """
+ menu = evt.GetEventObject()
+ event_id = evt.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ data = self.plots[self.graph.selected_plottable]
+ default_name = data.label
+ if default_name.count('.') > 0:
+ default_name = default_name.split('.')[0]
+ #default_name += "_out"
+ if self.parent != None:
+ self.parent.show_data2d(data, default_name)
+
+ def modifyGraphAppearance(self, e):
+ self.graphApp = graphAppearance(self, 'Modify graph appearance', legend=False)
+ self.graphApp.setDefaults(self.grid_on, self.legend_on,
+ self.xaxis_label, self.yaxis_label,
+ self.xaxis_unit, self.yaxis_unit,
+ self.xaxis_font, self.yaxis_font,
+ find_key(self.get_loc_label(), self.legendLoc),
+ self.xcolor, self.ycolor,
+ self.is_xtick, self.is_ytick)
+ self.graphApp.Bind(wx.EVT_CLOSE, self.on_graphApp_close)
+
+ def on_graphApp_close(self, e):
+ """
+ Gets values from graph appearance dialog and sends them off
+ to modify the plot
+ """
+ self.onGridOnOff(self.graphApp.get_togglegrid())
+ self.xaxis_label = self.graphApp.get_xlab()
+ self.yaxis_label = self.graphApp.get_ylab()
+ self.xaxis_unit = self.graphApp.get_xunit()
+ self.yaxis_unit = self.graphApp.get_yunit()
+ self.xaxis_font = self.graphApp.get_xfont()
+ self.yaxis_font = self.graphApp.get_yfont()
+ self.is_xtick = self.graphApp.get_xtick_check()
+ self.is_ytick = self.graphApp.get_ytick_check()
+ if self.is_xtick:
+ self.xaxis_tick = self.xaxis_font
+ if self.is_ytick:
+ self.yaxis_tick = self.yaxis_font
+
+ self.xaxis(self.xaxis_label, self.xaxis_unit,
+ self.graphApp.get_xfont(), self.graphApp.get_xcolor(),
+ self.xaxis_tick)
+ self.yaxis(self.yaxis_label, self.yaxis_unit,
+ self.graphApp.get_yfont(), self.graphApp.get_ycolor(),
+ self.yaxis_tick)
+
+ self.graphApp.Destroy()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/SectorSlicer.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/SectorSlicer.py
new file mode 100644
index 0000000..2327b91
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/SectorSlicer.py
@@ -0,0 +1,596 @@
+"""
+ Sector interactor
+"""
+import math
+import wx
+from BaseInteractor import _BaseInteractor
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+from sas.sasgui.guiframe.dataFitting import Data1D
+
+
+class SectorInteractor(_BaseInteractor):
+ """
+ Draw a sector slicer.Allow to performQ averaging on data 2D
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ ## Class initialization
+ self.markers = []
+ self.axes = axes
+ ## connect the plot to event
+ self.connect = self.base.connect
+
+ ## compute qmax limit to reset the graph
+ x = math.pow(max(self.base.data2D.xmax,
+ math.fabs(self.base.data2D.xmin)), 2)
+ y = math.pow(max(self.base.data2D.ymax,
+ math.fabs(self.base.data2D.ymin)), 2)
+ self.qmax = math.sqrt(x + y)
+ ## Number of points on the plot
+ self.nbins = 20
+ ## Angle of the middle line
+ self.theta2 = math.pi / 3
+ ## Absolute value of the Angle between the middle line and any side line
+ self.phi = math.pi / 12
+ ## Middle line
+ self.main_line = LineInteractor(self, self.base.subplot, color='blue',
+ zorder=zorder, r=self.qmax,
+ theta=self.theta2)
+ self.main_line.qmax = self.qmax
+ ## Right Side line
+ self.right_line = SideInteractor(self, self.base.subplot, color='black',
+ zorder=zorder, r=self.qmax,
+ phi=-1 * self.phi, theta2=self.theta2)
+ self.right_line.qmax = self.qmax
+ ## Left Side line
+ self.left_line = SideInteractor(self, self.base.subplot, color='black',
+ zorder=zorder, r=self.qmax,
+ phi=self.phi, theta2=self.theta2)
+ self.left_line.qmax = self.qmax
+ ## draw the sector
+ self.update()
+ self._post_data()
+ ## Bind to slice parameter events
+ self.base.Bind(EVT_SLICER_PARS, self._onEVT_SLICER_PARS)
+
+ def _onEVT_SLICER_PARS(self, event):
+ """
+ receive an event containing parameters values to reset the slicer
+
+ :param event: event of type SlicerParameterEvent with params as
+ attribute
+
+ """
+ wx.PostEvent(self.base.parent,
+ StatusEvent(status="SectorSlicer._onEVT_SLICER_PARS"))
+ event.Skip()
+ if event.type == self.__class__.__name__:
+ self.set_params(event.params)
+ self.base.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ self.main_line.clear()
+ self.left_line.clear()
+ self.right_line.clear()
+ self.base.connect.clearall()
+ self.base.Unbind(EVT_SLICER_PARS)
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # Update locations
+ ## Check if the middle line was dragged and
+ #update the picture accordingly
+ if self.main_line.has_move:
+ self.main_line.update()
+ self.right_line.update(delta=-self.left_line.phi / 2,
+ mline=self.main_line.theta)
+ self.left_line.update(delta=self.left_line.phi / 2,
+ mline=self.main_line.theta)
+ ## Check if the left side has moved and update the slicer accordingly
+ if self.left_line.has_move:
+ self.main_line.update()
+ self.left_line.update(phi=None, delta=None, mline=self.main_line,
+ side=True, left=True)
+ self.right_line.update(phi=self.left_line.phi, delta=None,
+ mline=self.main_line, side=True,
+ left=False, right=True)
+ ## Check if the right side line has moved and
+ #update the slicer accordingly
+ if self.right_line.has_move:
+ self.main_line.update()
+ self.right_line.update(phi=None, delta=None, mline=self.main_line,
+ side=True, left=False, right=True)
+ self.left_line.update(phi=self.right_line.phi, delta=None,
+ mline=self.main_line, side=True, left=False)
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.main_line.save(ev)
+ self.right_line.save(ev)
+ self.left_line.save(ev)
+
+ def _post_data(self, nbins=None):
+ """
+ compute sector averaging of data2D into data1D
+
+ :param nbins: the number of point to plot for the average 1D data
+ """
+ ## get the data2D to average
+ data = self.base.data2D
+ # If we have no data, just return
+ if data == None:
+ return
+ ## Averaging
+ from sas.sascalc.dataloader.manipulations import SectorQ
+ radius = self.qmax
+ phimin = -self.left_line.phi + self.main_line.theta
+ phimax = self.left_line.phi + self.main_line.theta
+ if nbins == None:
+ nbins = 20
+ sect = SectorQ(r_min=0.0, r_max=radius,
+ phi_min=phimin + math.pi,
+ phi_max=phimax + math.pi, nbins=nbins)
+
+ sector = sect(self.base.data2D)
+ ##Create 1D data resulting from average
+
+ if hasattr(sector, "dxl"):
+ dxl = sector.dxl
+ else:
+ dxl = None
+ if hasattr(sector, "dxw"):
+ dxw = sector.dxw
+ else:
+ dxw = None
+ new_plot = Data1D(x=sector.x, y=sector.y, dy=sector.dy, dx=sector.dx)
+ new_plot.dxl = dxl
+ new_plot.dxw = dxw
+ new_plot.name = "SectorQ" + "(" + self.base.data2D.name + ")"
+ new_plot.source = self.base.data2D.source
+ #new_plot.info=self.base.data2D.info
+ new_plot.interactive = True
+ new_plot.detector = self.base.data2D.detector
+ ## If the data file does not tell us what the axes are, just assume...
+ new_plot.xaxis("\\rm{Q}", "A^{-1}")
+ new_plot.yaxis("\\rm{Intensity}", "cm^{-1}")
+ if hasattr(data, "scale") and data.scale == 'linear' and \
+ self.base.data2D.name.count("Residuals") > 0:
+ new_plot.ytransform = 'y'
+ new_plot.yaxis("\\rm{Residuals} ", "/")
+
+ new_plot.group_id = "2daverage" + self.base.data2D.name
+ new_plot.id = "SectorQ" + self.base.data2D.name
+ new_plot.is_data = True
+ self.base.parent.update_theory(data_id=data.id, theory=new_plot)
+ wx.PostEvent(self.base.parent,
+ NewPlotEvent(plot=new_plot, title="SectorQ" + self.base.data2D.name))
+
+ def moveend(self, ev):
+ """
+ Called a dragging motion ends.Get slicer event
+ """
+ self.base.thaw_axes()
+ ## Post parameters
+ event = SlicerParameterEvent()
+ event.type = self.__class__.__name__
+ event.params = self.get_params()
+ ## Send slicer paramers to plotter2D
+ wx.PostEvent(self.base, event)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.main_line.restore()
+ self.left_line.restore()
+ self.right_line.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ """
+ """
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ ## Always make sure that the left and the right line are at phi
+ ## angle of the middle line
+ if math.fabs(self.left_line.phi) != math.fabs(self.right_line.phi):
+ msg = "Phi left and phi right are different"
+ msg += " %f, %f" % (self.left_line.phi, self.right_line.phi)
+ raise ValueError, msg
+ params["Phi [deg]"] = self.main_line.theta * 180 / math.pi
+ params["Delta_Phi [deg]"] = math.fabs(self.left_line.phi * 180 / math.pi)
+ params["nbins"] = self.nbins
+ return params
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+ """
+ main = params["Phi [deg]"] * math.pi / 180
+ phi = math.fabs(params["Delta_Phi [deg]"] * math.pi / 180)
+ self.nbins = int(params["nbins"])
+ self.main_line.theta = main
+ ## Reset the slicer parameters
+ self.main_line.update()
+ self.right_line.update(phi=phi, delta=None, mline=self.main_line,
+ side=True, right=True)
+ self.left_line.update(phi=phi, delta=None,
+ mline=self.main_line, side=True)
+ ## post the new corresponding data
+ self._post_data(nbins=self.nbins)
+
+ def freeze_axes(self):
+ """
+ """
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ """
+ """
+ self.base.thaw_axes()
+
+ def draw(self):
+ """
+ """
+ self.base.draw()
+
+
+class SideInteractor(_BaseInteractor):
+ """
+ Draw an oblique line
+
+ :param phi: the phase between the middle line and one side line
+ :param theta2: the angle between the middle line and x- axis
+
+ """
+ def __init__(self, base, axes, color='black', zorder=5, r=1.0,
+ phi=math.pi / 4, theta2=math.pi / 3):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ ## Initialize the class
+ self.markers = []
+ self.axes = axes
+ ## compute the value of the angle between the current line and
+ ## the x-axis
+ self.save_theta = theta2 + phi
+ self.theta = theta2 + phi
+ ## the value of the middle line angle with respect to the x-axis
+ self.theta2 = theta2
+ ## Radius to find polar coordinates this line's endpoints
+ self.radius = r
+ ## phi is the phase between the current line and the middle line
+ self.phi = phi
+ ## End points polar coordinates
+ x1 = self.radius * math.cos(self.theta)
+ y1 = self.radius * math.sin(self.theta)
+ x2 = -1 * self.radius * math.cos(self.theta)
+ y2 = -1 * self.radius * math.sin(self.theta)
+ ## defining a new marker
+ self.inner_marker = self.axes.plot([x1 / 2.5], [y1 / 2.5], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder, visible=True)[0]
+
+ ## Defining the current line
+ self.line = self.axes.plot([x1, x2], [y1, y2],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ ## Flag to differentiate the left line from the right line motion
+ self.left_moving = False
+ ## Flag to define a motion
+ self.has_move = False
+ ## connecting markers and draw the picture
+ self.connect_markers([self.inner_marker, self.line])
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ try:
+ self.line.remove()
+ self.inner_marker.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, phi=None, delta=None, mline=None,
+ side=False, left=False, right=False):
+ """
+ Draw oblique line
+
+ :param phi: the phase between the middle line and the current line
+ :param delta: phi/2 applied only when the mline was moved
+
+ """
+ #print "update left or right ", self.has_move
+ self.left_moving = left
+ theta3 = 0
+ if phi != None:
+ self.phi = phi
+ if delta == None:
+ delta = 0
+ if right:
+ self.phi = -1 * math.fabs(self.phi)
+ #delta=-delta
+ else:
+ self.phi = math.fabs(self.phi)
+ if side:
+ self.theta = mline.theta + self.phi
+
+ if mline != None:
+ if delta != 0:
+ self.theta2 = mline + delta
+ else:
+ self.theta2 = mline.theta
+ if delta == 0:
+ theta3 = self.theta + delta
+ else:
+ theta3 = self.theta2 + delta
+ x1 = self.radius * math.cos(theta3)
+ y1 = self.radius * math.sin(theta3)
+ x2 = -1 * self.radius * math.cos(theta3)
+ y2 = -1 * self.radius * math.sin(theta3)
+ self.inner_marker.set(xdata=[x1 / 2.5], ydata=[y1 / 2.5])
+ self.line.set(xdata=[x1, x2], ydata=[y1, y2])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_theta = self.theta
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.theta = self.save_theta
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.theta = math.atan2(y, x)
+ self.has_move = True
+ #ToDo: Simplify below
+ if not self.left_moving:
+ if self.theta2 - self.theta <= 0 and self.theta2 > 0:
+ self.restore()
+ return
+ elif self.theta2 < 0 and self.theta < 0 and \
+ self.theta - self.theta2 >= 0:
+ self.restore()
+ return
+ elif self.theta2 < 0 and self.theta > 0 and \
+ (self.theta2 + 2 * math.pi - self.theta) >= math.pi / 2:
+ self.restore()
+ return
+ elif self.theta2 < 0 and self.theta < 0 and \
+ (self.theta2 - self.theta) >= math.pi / 2:
+ self.restore()
+ return
+ elif self.theta2 > 0 and (self.theta2 - self.theta >= math.pi / 2 or \
+ (self.theta2 - self.theta >= math.pi / 2)):
+ self.restore()
+ return
+ else:
+ if self.theta < 0 and (self.theta + math.pi * 2 - self.theta2) <= 0:
+ self.restore()
+ return
+ elif self.theta2 < 0 and (self.theta - self.theta2) <= 0:
+ self.restore()
+ return
+ elif self.theta > 0 and self.theta - self.theta2 <= 0:
+ self.restore()
+ return
+ elif self.theta - self.theta2 >= math.pi / 2 or \
+ ((self.theta + math.pi * 2 - self.theta2) >= math.pi / 2 and \
+ self.theta < 0 and self.theta2 > 0):
+ self.restore()
+ return
+
+ self.phi = math.fabs(self.theta2 - self.theta)
+ if self.phi > math.pi:
+ self.phi = 2 * math.pi - math.fabs(self.theta2 - self.theta)
+ self.base.base.update()
+
+ def set_cursor(self, x, y):
+ """
+ """
+ self.move(x, y, None)
+ self.update()
+
+ def get_params(self):
+ """
+ """
+ params = {}
+ params["radius"] = self.radius
+ params["theta"] = self.theta
+ return params
+
+ def set_params(self, params):
+ """
+ """
+ x = params["radius"]
+ self.set_cursor(x, None)
+
+
+class LineInteractor(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot
+ """
+ def __init__(self, base, axes, color='black',
+ zorder=5, r=1.0, theta=math.pi / 4):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+
+ self.markers = []
+ self.axes = axes
+ self.save_theta = theta
+ self.theta = theta
+ self.radius = r
+ self.scale = 10.0
+ # Inner circle
+ x1 = self.radius * math.cos(self.theta)
+ y1 = self.radius * math.sin(self.theta)
+ x2 = -1 * self.radius * math.cos(self.theta)
+ y2 = -1 * self.radius * math.sin(self.theta)
+ # Inner circle marker
+ self.inner_marker = self.axes.plot([x1 / 2.5], [y1 / 2.5], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder,
+ visible=True)[0]
+ self.line = self.axes.plot([x1, x2], [y1, y2],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ self.npts = 20
+ self.has_move = False
+ self.connect_markers([self.inner_marker, self.line])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ """
+ self.clear_markers()
+ try:
+ self.inner_marker.remove()
+ self.line.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, theta=None):
+ """
+ Draw the new roughness on the graph.
+ """
+
+ if theta != None:
+ self.theta = theta
+ x1 = self.radius * math.cos(self.theta)
+ y1 = self.radius * math.sin(self.theta)
+ x2 = -1 * self.radius * math.cos(self.theta)
+ y2 = -1 * self.radius * math.sin(self.theta)
+
+ self.inner_marker.set(xdata=[x1 / 2.5], ydata=[y1 / 2.5])
+ self.line.set(xdata=[x1, x2], ydata=[y1, y2])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_theta = self.theta
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.theta = self.save_theta
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.theta = math.atan2(y, x)
+ self.has_move = True
+ self.base.base.update()
+
+ def set_cursor(self, x, y):
+ """
+ """
+ self.move(x, y, None)
+ self.update()
+
+ def get_params(self):
+ """
+ """
+ params = {}
+ params["radius"] = self.radius
+ params["theta"] = self.theta
+ return params
+
+ def set_params(self, params):
+ """
+ """
+ x = params["radius"]
+ self.set_cursor(x, None)
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/SimplePlot.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/SimplePlot.py
new file mode 100644
index 0000000..e57dcd8
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/SimplePlot.py
@@ -0,0 +1,327 @@
+"""
+Simple Plot Frame : supporting only copy, print, scale
+"""
+import wx
+from sas.sasgui.guiframe.local_perspectives.plotting.Plotter2D import ModelPanel2D as PlotPanel
+from sas.sasgui.plottools.toolbar import NavigationToolBar
+from sas.sasgui.plottools.plottables import Graph
+from sas.sasgui.guiframe.utils import PanelMenu
+from sas.sasgui.guiframe.events import StatusEvent
+
+class SimplePlotPanel(PlotPanel):
+ """
+ PlotPanel for 1d and 2d
+ """
+ _window_caption = 'Simple Plot'
+ def __init__(self, parent, id=-1, color=None,
+ dpi=None, style=wx.NO_FULL_REPAINT_ON_RESIZE, **kwargs):
+ """
+ Init
+ """
+ PlotPanel.__init__(self, parent, id=id, style=style, **kwargs)
+
+ self.SetColor(wx.WHITE)
+
+ self.toolbar = NavigationToolBar(parent=self, canvas=self.canvas)
+ self.toolbar.Show(False)
+ self.scale = parent.scale
+ self.window_caption = self._window_caption
+
+ def draw(self):
+ """
+ """
+ self.resizing = False
+ self.canvas.set_resizing(self.resizing)
+ self.canvas.draw()
+
+ def add_toolbar(self):
+ """
+ """
+ pass
+
+ def onContextMenu(self, event):
+ """
+ 2D plot context menu
+
+ :param event: wx context event
+
+ """
+ slicerpop = PanelMenu()
+ slicerpop.set_plots(self.plots)
+ slicerpop.set_graph(self.graph)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Save Image')
+ wx.EVT_MENU(self, wx_id, self.onSaveImage)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Print Image', 'Print image')
+ wx.EVT_MENU(self, wx_id, self.onPrint)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Copy to Clipboard', 'Copy to the clipboard')
+ wx.EVT_MENU(self, wx_id, self.OnCopyFigureMenu)
+
+ if self.dimension != 3:
+ slicerpop.AppendSeparator()
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Toggle Grid On/Off', 'Toggle Grid On/Off')
+ wx.EVT_MENU(self, wx_id, self.on_grid_onoff)
+
+ if self.data.__class__.__name__ == 'Data1D':
+ slicerpop.AppendSeparator()
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Change Scale')
+ wx.EVT_MENU(self, wx_id, self._onProperties)
+ elif self.data2D.__class__.__name__ == 'Data2D':
+ slicerpop.AppendSeparator()
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Toggle Linear/Log Scale')
+ wx.EVT_MENU(self, wx_id, self._onToggleScale)
+
+ try:
+ pos_evt = event.GetPosition()
+ pos = self.ScreenToClient(pos_evt)
+ except:
+ pos_x, pos_y = self.toolbar.GetPositionTuple()
+ pos = (pos_x, pos_y + 5)
+ self.PopupMenu(slicerpop, pos)
+ if self.scale != None:
+ self.parent.scale2d = self.scale
+
+ def on_grid_onoff(self, event):
+ """
+ On grid on/off
+ """
+ switch = (not self.grid_on)
+ self.onGridOnOff(switch)
+
+ def onLeftDown(self, event):
+ """
+ left button down and ready to drag
+
+ """
+ # Check that the LEFT button was pressed
+ if event.button == 1:
+ self.leftdown = True
+ ax = event.inaxes
+ if ax != None:
+ self.xInit, self.yInit = event.xdata, event.ydata
+ try:
+ pos_x = float(event.xdata) # / size_x
+ pos_y = float(event.ydata) # / size_y
+ pos_x = "%8.3g" % pos_x
+ pos_y = "%8.3g" % pos_y
+ self.position = str(pos_x), str(pos_y)
+ wx.PostEvent(self.parent, StatusEvent(status=self.position))
+ except:
+ self.position = None
+
+ def _OnReSize(self, event):
+ """
+ On response of the resize of a panel, set axes_visiable False
+ """
+ self.resizing = False
+ if self.x_size != None:
+ if self.x_size == self.GetSize():
+ self.canvas.set_resizing(self.resizing)
+ return
+ self.x_size = self.GetSize()
+
+ # Ready for another event
+ # Do not remove this Skip.
+ # Otherwise it will get runtime error on wx>=2.9.
+ event.Skip()
+ # set the resizing flag
+ self.canvas.set_resizing(self.resizing)
+ pos_x, pos_y = self.GetPositionTuple()
+ if pos_x != 0 and pos_y != 0:
+ self.size, _ = self.GetClientSizeTuple()
+ self.SetSizer(self.sizer)
+
+ def on_set_focus(self, event):
+ """
+ By pass default boundary blue color drawing
+ """
+ pass
+
+ def on_kill_focus(self, event):
+ """
+ Reset the panel color
+ """
+ pass
+
+ def show_plot(self, plot):
+ """
+ Show the plot
+ """
+ _yaxis, _yunit = plot.get_yaxis()
+ _xaxis, _xunit = plot.get_xaxis()
+ self.data = plot
+ self.plots[plot.name] = plot
+ # Axis scales
+ if plot.xtransform != None:
+ self.xLabel = plot.xtransform
+ if plot.ytransform != None:
+ self.yLabel = plot.ytransform
+ # Init graph
+ self.graph = Graph()
+ # Add plot: Handles both 1D and 2D
+ self.graph.add(self.data)
+ self.canvas.set_resizing(False)
+ if self.data.__class__.__name__ == 'Data2D':
+ self.data2D = plot
+ elif self.data.__class__.__name__ == 'Data1D':
+ self._onEVT_FUNC_PROPERTY(show=False)
+ # Axes
+ self.graph.xaxis(_xaxis, _xunit)
+ self.graph.yaxis(_yaxis, _yunit)
+ self.xaxis(_xaxis, _xunit)
+ self.yaxis(_yaxis, _yunit)
+ self.set_xscale(self.xscale)
+ self.set_yscale(self.yscale)
+ self.graph.render(self)
+
+class PlotFrame(wx.Frame):
+ """
+ Frame for simple plot
+ """
+ def __init__(self, parent, id, title, scale='log_{10}',
+ size=wx.Size(550, 470), show_menu_icons=True):
+ """
+ comment
+ :param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title, wx.DefaultPosition, size)
+
+ # Panel for 1D plot
+ self.parent = parent
+ self._mgr = None
+ self.menu_bar = None
+ self._default_save_location = None
+ self.scale = scale
+ self._show_menu_icons = show_menu_icons
+ self.plotpanel = SimplePlotPanel(self, -1)
+ self._build_menubar()
+
+ def _build_menubar(self):
+ """
+ Build menubar
+ """
+ tsize = (13, 13)
+ save_bmp = wx.ArtProvider.GetBitmap(wx.ART_FILE_SAVE_AS, wx.ART_TOOLBAR, tsize)
+ quit_bmp = wx.ArtProvider.GetBitmap(wx.ART_QUIT, wx.ART_TOOLBAR, tsize)
+ print_bmp = wx.ArtProvider.GetBitmap(wx.ART_PRINT, wx.ART_TOOLBAR, tsize)
+ copy_bmp = wx.ArtProvider.GetBitmap(wx.ART_COPY, wx.ART_TOOLBAR, tsize)
+ menu_bar = wx.MenuBar()
+
+ menu = wx.Menu()
+ id = wx.NewId()
+ save_item = wx.MenuItem(menu, id, "&Save Image")
+ menu.AppendItem(save_item)
+ wx.EVT_MENU(self, id, self.on_save_file)
+
+ id = wx.NewId()
+ print_item = wx.MenuItem(menu, id, "&Print Image")
+ menu.AppendItem(print_item)
+ wx.EVT_MENU(self, id, self.on_print_image)
+
+ menu.AppendSeparator()
+ id = wx.NewId()
+ quit_item = wx.MenuItem(menu, id, "&Quit")
+ menu.AppendItem(quit_item)
+
+ menu_bar.Append(menu, "&File")
+ wx.EVT_MENU(self, id, self.on_close)
+
+ menu_edit = wx.Menu()
+ id = wx.NewId()
+ copy_item = wx.MenuItem(menu_edit, id, "&Copy")
+ menu_edit.AppendItem(copy_item)
+ wx.EVT_MENU(self, id, self.on_copy_image)
+
+ if self._show_menu_icons:
+ save_item.SetBitmap(save_bmp)
+ print_item.SetBitmap(print_bmp)
+ quit_item.SetBitmap(quit_bmp)
+ copy_item.SetBitmap(copy_bmp)
+
+ menu_bar.Append(menu_edit, "&Edit")
+ self.menu_bar = menu_bar
+ self.SetMenuBar(self.menu_bar)
+
+ def set_plot_unfocus(self):
+ """
+ un focusing
+ """
+ pass
+
+ def add_plot(self, plot):
+ """
+ Add Image
+ """
+ plotpanel = self.plotpanel
+ plotpanel.scale = self.scale
+ plotpanel.show_plot(plot)
+
+ def set_schedule_full_draw(self, panel, func):
+ """
+ """
+ self.plotpanel.resizing = False
+
+ def im_show(self, img):
+ """
+ Show background image
+ :Param img: [imread(path) from matplotlib.pyplot]
+ """
+ self.plotpanel.subplot.imshow(img)
+
+ def set_schedule(self, schedule=False):
+ """
+ """
+ #Not implemented
+
+ def disable_app_menu(self, panel):
+ """
+ """
+ #Not implemented
+
+ def get_current_context_menu(self, plotpanel):
+ """
+ """
+ #Not implemented
+
+ def on_save_file(self, event):
+ """
+ Save image
+ """
+ self.plotpanel.onSaveImage(event)
+
+ def on_print_image(self, event):
+ """
+ Save image
+ """
+ self.plotpanel.onPrint(event)
+
+ def on_print_preview(self, event):
+ """
+ Save image
+ """
+ self.plotpanel.onPrinterPreview(event)
+
+ def on_copy_image(self, event):
+ """
+ Save image
+ """
+ self.plotpanel.OnCopyFigureMenu(event)
+
+ def on_close(self, event):
+ """
+ On Close
+ """
+ try:
+ self.parent.set_scale2d(self.scale)
+ self.parent.on_panel_close(event)
+ except:
+ self.Destroy()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/SlicerParameters.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/SlicerParameters.py
new file mode 100644
index 0000000..2ba740d
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/SlicerParameters.py
@@ -0,0 +1,146 @@
+
+
+import wx
+import wx.lib.newevent
+#from copy import deepcopy
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.events import EVT_SLICER
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+
+
+class SlicerParameterPanel(wx.Dialog):
+ """
+ Panel class to show the slicer parameters
+ """
+ #TODO: show units
+ #TODO: order parameters properly
+
+ def __init__(self, parent, *args, **kwargs):
+ """
+ Dialog window that allow to edit parameters slicer
+ by entering new values
+ """
+ wx.Dialog.__init__(self, parent, *args, **kwargs)
+ self.params = {}
+ self.parent = parent
+ self.type = None
+ self.listeners = []
+ self.parameters = []
+ self.bck = wx.GridBagSizer(5, 5)
+ self.SetSizer(self.bck)
+ label = "Right-click on 2D plot for slicer options"
+ title = wx.StaticText(self, -1, label, style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (0, 0), (1, 2),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ # Bindings
+ self.parent.Bind(EVT_SLICER, self.onEVT_SLICER)
+ self.parent.Bind(EVT_SLICER_PARS, self.onParamChange)
+
+ def onEVT_SLICER(self, event):
+ """
+ Process EVT_SLICER events
+ When the slicer changes, update the panel
+
+ :param event: EVT_SLICER event
+ """
+ event.Skip()
+ if event.obj_class == None:
+ self.set_slicer(None, None)
+ else:
+ self.set_slicer(event.type, event.params)
+
+ def set_slicer(self, type, params):
+ """
+ Rebuild the panel
+ """
+ self.bck.Clear(True)
+ self.type = type
+ if type == None:
+ label = "Right-click on 2D plot for slicer options"
+ title = wx.StaticText(self, -1, label, style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (0, 0), (1, 2),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ else:
+ title = wx.StaticText(self, -1,
+ "Slicer Parameters", style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (0, 0), (1, 2),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ ix = 0
+ iy = 0
+ self.parameters = []
+ keys = params.keys()
+ keys.sort()
+ for item in keys:
+ iy += 1
+ ix = 0
+ if not item in ["count", "errors"]:
+ text = wx.StaticText(self, -1, item, style=wx.ALIGN_LEFT)
+ self.bck.Add(text, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ctl = wx.TextCtrl(self, -1, size=(80, 20),
+ style=wx.TE_PROCESS_ENTER)
+ hint_msg = "Modify the value of %s to change" % item
+ hint_msg += " the 2D slicer"
+ ctl.SetToolTipString(hint_msg)
+ ix = 1
+ ctl.SetValue(format_number(str(params[item])))
+ self.Bind(wx.EVT_TEXT_ENTER, self.onTextEnter)
+ self.parameters.append([item, ctl])
+ self.bck.Add(ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix = 3
+ self.bck.Add((20, 20), (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ else:
+ text = wx.StaticText(self, -1, item + " : ",
+ style=wx.ALIGN_LEFT)
+ self.bck.Add(text, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ctl = wx.StaticText(self, -1,
+ format_number(str(params[item])),
+ style=wx.ALIGN_LEFT)
+ ix = 1
+ self.bck.Add(ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 1
+ self.bck.Add((20, 20), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ self.bck.Layout()
+ self.bck.Fit(self)
+ self.parent.GetSizer().Layout()
+
+ def onParamChange(self, evt):
+ """
+ receive an event end reset value text fields
+ inside self.parameters
+ """
+ evt.Skip()
+ if evt.type == "UPDATE":
+ for item in self.parameters:
+ if item[0] in evt.params:
+ item[1].SetValue("%-5.3g" % evt.params[item[0]])
+ item[1].Refresh()
+
+ def onTextEnter(self, evt):
+ """
+ Parameters have changed
+ """
+ params = {}
+ has_error = False
+ for item in self.parameters:
+ try:
+ params[item[0]] = float(item[1].GetValue())
+ item[1].SetBackgroundColour(wx.SystemSettings_GetColour(wx.SYS_COLOUR_WINDOW))
+ item[1].Refresh()
+ except:
+ has_error = True
+ item[1].SetBackgroundColour("pink")
+ item[1].Refresh()
+
+ if has_error == False:
+ # Post parameter event
+ ##parent hier is plotter2D
+ event = SlicerParameterEvent(type=self.type, params=params)
+ wx.PostEvent(self.parent, event)
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/__init__.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/__init__.py
new file mode 100644
index 0000000..8403c02
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/__init__.py
@@ -0,0 +1,2 @@
+PLUGIN_ID = "Plotting plug-in 1.0"
+from sas.sasgui.guiframe.local_perspectives.plotting import *
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/appearanceDialog.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/appearanceDialog.py
new file mode 100644
index 0000000..028cf10
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/appearanceDialog.py
@@ -0,0 +1,220 @@
+#!/usr/bin/python
+"""
+Dialog for appearance of plot symbols, color, size etc.
+
+This software was developed by Institut Laue-Langevin as part of
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE).
+
+Copyright 2012 Institut Laue-Langevin
+"""
+import wx
+import operator
+
+class appearanceDialog(wx.Frame):
+ """
+ Appearance dialog
+ """
+ def __init__(self, parent, title):
+ """
+ Initialization of the Panel
+ """
+ super(appearanceDialog,
+ self).__init__(parent, title=title, size=(570, 450),
+ style=wx.DEFAULT_FRAME_STYLE | wx.FRAME_FLOAT_ON_PARENT)
+
+ self.okay_clicked = False
+ self.parent = parent
+ self.symbo_labels = self.parent.get_symbol_label()
+ self.color_labels = self.parent.get_color_label()
+ self.init_ui()
+ self.Centre()
+ self.Show()
+
+ def init_ui(self):
+ """
+ Create spacing needed
+ """
+ panel = wx.Panel(self)
+
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ hbox1 = wx.BoxSizer(wx.HORIZONTAL)
+ hbox2 = wx.BoxSizer(wx.HORIZONTAL)
+ hbox3 = wx.BoxSizer(wx.HORIZONTAL)
+
+ ivbox1 = wx.BoxSizer(wx.VERTICAL)
+ ivbox2 = wx.BoxSizer(wx.VERTICAL)
+
+ ihbox1 = wx.BoxSizer(wx.HORIZONTAL)
+ ihbox2 = wx.BoxSizer(wx.HORIZONTAL)
+
+ symbolstaticbox = wx.StaticBox(panel, -1, 'Symbol')
+ symbolstaticboxsizer = wx.StaticBoxSizer(symbolstaticbox, wx.VERTICAL)
+
+ # add widgets - reverse order!
+ # texts
+ symboltext = wx.StaticText(panel, label='Shape')
+ colortext = wx.StaticText(panel, label='Color')
+ sizetext = wx.StaticText(panel, label='Size ')
+ labeltext = wx.StaticText(panel, label='Legend Label')
+
+ # selection widgets
+ self.symbollistbox = wx.ListBox(panel, -1, size=(200, 200))
+ self.colorlistbox = wx.ComboBox(panel, style=wx.CB_READONLY,
+ size=(185, -1))
+ self.sizecombobox = wx.ComboBox(panel, style=wx.CB_READONLY,
+ size=(90, -1))
+ self.sizecombobox.Bind(wx.EVT_COMBOBOX, self.combo_click)
+ self.sizecustombutton = wx.Button(panel, label='Custom...')
+ self.sizecustombutton.Bind(wx.EVT_BUTTON, self.custom_size)
+ self.labeltextbox = wx.TextCtrl(panel, -1, "", size=(440, -1))
+
+ # buttons
+ okbutton = wx.Button(panel, label='OK')
+ okbutton.Bind(wx.EVT_BUTTON, self.on_ok)
+ cancelbutton = wx.Button(panel, label='Cancel')
+ cancelbutton.Bind(wx.EVT_BUTTON, self.close_dlg)
+
+ # now Add all the widgets to relevant spacer - tricky
+ ivbox1.Add(symboltext, flag=wx.ALL | wx.ALIGN_LEFT, border=10)
+ ivbox1.Add(self.symbollistbox, flag=wx.ALL | wx.ALIGN_LEFT, border=10)
+
+ ihbox1.Add(sizetext, flag=wx.ALL | wx.ALIGN_LEFT, border=10)
+ ihbox1.Add(self.sizecombobox,
+ flag=wx.ALL | wx.RIGHT | wx.ALIGN_LEFT, border=10)
+ ihbox1.Add(self.sizecustombutton,
+ flag=wx.ALIGN_LEFT | wx.ALL, border=10)
+
+ ihbox2.Add(colortext, flag=wx.ALL | wx.ALIGN_LEFT, border=10)
+ ihbox2.Add(self.colorlistbox, flag=wx.ALL | wx.ALIGN_LEFT, border=10)
+
+ ivbox2.Add(ihbox1, flag=wx.ALIGN_LEFT, border=10)
+ ivbox2.Add(ihbox2, flag=wx.ALIGN_LEFT, border=10)
+
+ hbox1.Add(ivbox1, flag=wx.ALIGN_LEFT, border=10)
+ hbox1.Add(ivbox2, flag=wx.ALIGN_LEFT, border=10)
+
+ hbox2.Add(okbutton, flag=wx.ALL | wx.ALIGN_RIGHT, border=10)
+ hbox2.Add(cancelbutton, flag=wx.ALL | wx.ALIGN_RIGHT, border=10)
+
+ hbox3.Add(labeltext, flag=wx.EXPAND | wx.ALL | wx.ALIGN_LEFT, border=10)
+ hbox3.Add(self.labeltextbox, flag=wx.EXPAND | wx.ALL | wx.ALIGN_LEFT, border=10)
+
+ symbolstaticboxsizer.Add(hbox1, flag=wx.ALL | wx.EXPAND, border=10)
+ vbox.Add(symbolstaticboxsizer, flag=wx.ALL | wx.EXPAND, border=10)
+ vbox.Add(hbox3, flag=wx.EXPAND | wx.RIGHT, border=10)
+ vbox.Add(wx.StaticLine(panel), 0, wx.ALL | wx.EXPAND, 5)
+ vbox.Add(hbox2, flag=wx.RIGHT | wx.ALIGN_RIGHT, border=10)
+
+ panel.SetSizer(vbox)
+
+ self.populate_symbol()
+ self.populate_color()
+ self.populate_size()
+
+ self.SetDefaultItem(self.symbollistbox)
+
+ def custom_size(self, event):
+ """
+ On custom size
+ """
+ dlg = wx.TextEntryDialog(self, 'Enter custom size', 'Custom size', str(self.final_size))
+ if dlg.ShowModal() == wx.ID_OK:
+ if float(dlg.GetValue()) < 0:
+ msg = "Unfortunately imaginary icons are not yet supported."
+ msg += "Please enter a positive value"
+ dial = wx.MessageDialog(None, msg, 'Error', wx.OK | wx.ICON_ERROR)
+ dial.ShowModal()
+ dlg.Destroy()
+ self.custom_size(event)
+ else:
+ self.final_size = dlg.GetValue()
+ dlg.Destroy()
+ else:
+ dlg.Destroy()
+
+ def set_defaults(self, size, color, symbol, label):
+ """
+ Set Defaults
+ """
+ self.final_size = size
+ # set up gui values
+ self.labeltextbox.SetValue(label)
+ if size % 1 == 0 and size > 1 and size < 11:
+ self.sizecombobox.SetSelection(int(size) - 1)
+ else:
+ self.sizecombobox.SetSelection(4)
+ self.symbollistbox.SetSelection(self.sorted_sym_dic[symbol])
+ colorname = appearanceDialog.find_key(self.parent.get_color_label(), color)
+ self.colorlistbox.SetStringSelection(colorname)
+
+ def populate_symbol(self):
+ """
+ Populate Symbols
+ """
+ self.sorted_symbo_labels = sorted(self.symbo_labels.iteritems(),
+ key=operator.itemgetter(1))
+ self.sorted_sym_dic = {}
+ i = 0
+ for label in self.sorted_symbo_labels:
+ self.symbollistbox.Append(str(label[0]))
+ self.sorted_sym_dic[str(label[0])] = i
+ i += 1
+
+ def populate_color(self):
+ """
+ Populate Colors
+ """
+ sortedcolor_labels = sorted(self.color_labels.iteritems(),
+ key=operator.itemgetter(1))
+ for color in sortedcolor_labels:
+ self.colorlistbox.Append(str(color[0]))
+
+ def populate_size(self):
+ """
+ Populate Size
+ """
+ for i in range(1, 11):
+ self.sizecombobox.Append(str(i) + '.0')
+
+ def combo_click(self, event):
+ """
+ Combox on click
+ """
+ event.Skip()
+ self.final_size = self.sizecombobox.GetValue()
+
+ def close_dlg(self, event):
+ """
+ On Close Dlg
+ """
+ event.Skip()
+ self.Destroy()
+
+ @staticmethod
+ def find_key(dic, val):
+ """
+ Find key
+ """
+ return [k for k, v in dic.iteritems() if v == val][0]
+
+ def get_current_values(self):
+ """
+ Get Current Values
+ :returns : (size, color, symbol, dataname)
+ """
+ size = float(self.final_size)
+ name = str(self.labeltextbox.GetValue())
+ seltuple = self.symbollistbox.GetSelections()
+ symbol = appearanceDialog.find_key(self.sorted_sym_dic,
+ int(seltuple[0]))
+ color = str(self.colorlistbox.GetValue())
+ return(size, color, symbol, name)
+
+ def on_ok(self, event):
+ """
+ On OK button clicked
+ """
+ event.Skip()
+ self.okay_clicked = True
+ self.Close()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/binder.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/binder.py
new file mode 100644
index 0000000..6fd2a72
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/binder.py
@@ -0,0 +1,391 @@
+"""
+Extension to MPL to support the binding of artists to key/mouse events.
+"""
+import logging
+import sys
+
+class Selection(object):
+ """
+ Store and compare selections.
+ """
+ # TODO: We need some way to check in prop matches, preferably
+ # TODO: without imposing structure on prop.
+
+ artist = None
+ prop = {}
+ def __init__(self, artist=None, prop={}):
+ self.artist, self.prop = artist, self.prop
+
+ def __eq__(self, other):
+ return self.artist is other.artist
+
+ def __ne__(self, other):
+ return self.artist is not other.artist
+
+ def __nonzero__(self):
+ return self.artist is not None
+
+class BindArtist(object):
+ """
+ Track keyboard modifiers for events.
+ TODO: Move keyboard modifier support into the backend. We cannot
+ TODO: properly support it from outside the windowing system since there
+ TODO: is no way to recognized whether shift is held down when the mouse
+ TODO: first clicks on the the application window.
+ """
+ control, shift, alt, meta = False, False, False, False
+
+ # Track doubleclick
+ dclick_threshhold = 0.25
+ _last_button, _last_time = None, 0
+
+ # Mouse/keyboard events we can bind to
+ events = ['enter', 'leave', 'motion', 'click', 'dclick', 'drag', 'release',
+ 'scroll', 'key', 'keyup']
+ # TODO: Need our own event structure
+ def __init__(self, figure):
+ canvas = figure.canvas
+ # Link to keyboard/mouse
+ try:
+ self._connections = [
+ canvas.mpl_connect('motion_notify_event', self._onMotion),
+ canvas.mpl_connect('button_press_event', self._onClick),
+ canvas.mpl_connect('button_release_event', self._onRelease),
+ canvas.mpl_connect('key_press_event', self._onKey),
+ canvas.mpl_connect('key_release_event', self._onKeyRelease),
+ canvas.mpl_connect('scroll_event', self._onScroll)
+ ]
+ except:
+ # print "bypassing scroll_event: wrong matplotlib version"
+ self._connections = [
+ canvas.mpl_connect('motion_notify_event', self._onMotion),
+ canvas.mpl_connect('button_press_event', self._onClick),
+ canvas.mpl_connect('button_release_event', self._onRelease),
+ canvas.mpl_connect('key_press_event', self._onKey),
+ canvas.mpl_connect('key_release_event', self._onKeyRelease),
+ ]
+ # Turn off picker if it hasn't already been done
+ try:
+ canvas.mpl_disconnect(canvas.button_pick_id)
+ canvas.mpl_disconnect(canvas.scroll_pick_id)
+ except:
+ logging.error(sys.exc_value)
+ self.canvas = canvas
+ self.figure = figure
+ self.clearall()
+
+ def clear(self, *artists):
+ """
+ self.clear(h1,h2,...)
+ Remove connections for artists h1, h2, ...
+
+ Use clearall() to reset all connections.
+
+ """
+ for h in artists:
+ for a in self.events:
+ if h in self._actions[a]:
+ del self._actions[a][h]
+ if h in self._artists:
+ self._artists.remove(h)
+ if self._current.artist in artists:
+ self._current = Selection()
+ if self._hasclick.artist in artists:
+ self._hasclick = Selection()
+ if self._haskey.artist in artists:
+ self._haskey = Selection()
+
+ def clearall(self):
+ """
+ Clear connections to all artists.
+
+ Use clear(h1,h2,...) to reset specific artists.
+ """
+ # Don't monitor any actions
+ self._actions = {}
+ for action in self.events:
+ self._actions[action] = {}
+ # Need activity state
+ self._artists = []
+ self._current = Selection()
+ self._hasclick = Selection()
+ self._haskey = Selection()
+
+ def disconnect(self):
+ """
+ In case we need to disconnect from the canvas...
+ """
+ try:
+ for cid in self._connections:
+ self.canvas.mpl_disconnect(cid)
+ except:
+ pass
+ self._connections = []
+
+ def __del__(self):
+ self.disconnect()
+
+ def __call__(self, trigger, artist, action):
+ """Register a callback for an artist to a particular trigger event.
+
+ usage:
+ self.connect(eventname,artist,action)
+
+ where:
+ eventname is a string
+ artist is the particular graph object to respond to the event
+ action(event,**kw) is called when the event is triggered
+
+ The action callback is associated with particular artists.
+ Different artists will have different kwargs. See documentation
+ on the contains() method for each artist. One common properties
+ are ind for the index of the item under the cursor, which is
+ returned by Line2D and by collections.
+
+ The following events are supported:
+ enter: mouse cursor moves into the artist or to a new index
+ leave: mouse cursor leaves the artist
+ click: mouse button pressed on the artist
+ drag: mouse button pressed on the artist and cursor moves
+ release: mouse button released for the artist
+ key: key pressed when mouse is on the artist
+ keyrelease: key released for the artist
+
+ The event received by action has a number of attributes:
+ name is the event name which was triggered
+ artist is the object which triggered the event
+ x,y are the screen coordinates of the mouse
+ xdata,ydata are the graph coordinates of the mouse
+ button is the mouse button being pressed/released
+ key is the key being pressed/released
+ shift,control,alt,meta are flags which are true if the
+ corresponding key is pressed at the time of the event.
+ details is a dictionary of artist specific details, such as the
+ id(s) of the point that were clicked.
+
+ When receiving an event, first check the modifier state to be
+ sure it applies. E.g., the callback for 'press' might be:
+ if event.button == 1 and event.shift: process Shift-click
+
+ :TODO: Only receive events with the correct modifiers (e.g., S-click,
+ :TODO: or *-click for any modifiers).
+ :TODO: Only receive button events for the correct button (e.g., click1
+ :TODO: release3, or dclick* for any button)
+ :TODO: Support virtual artist, so that and artist can be flagged as
+ :TODO: having a tag list and receive the correct events
+ :TODO: Support virtual events for binding to button-3 vs shift button-1
+ :TODO: without changing callback code
+ :TODO: Attach multiple callbacks to the same event?
+ :TODO: Clean up interaction with toolbar modes
+ :TODO: push/pushclear/pop context so that binding changes
+ for the duration
+ :TODO: e.g., to support ? context sensitive help
+
+ """
+ # Check that the trigger is valid
+ if trigger not in self._actions:
+ raise ValueError, "%s invalid --- valid triggers are %s" \
+ % (trigger, ", ".join(self.events))
+ # Register the trigger callback
+ self._actions[trigger][artist] = action
+ # print "==> added",artist,[artist],"to",trigger,":",
+ # self._actions[trigger].keys()
+ # Maintain a list of all artists
+ if artist not in self._artists:
+ self._artists.append(artist)
+
+ def trigger(self, actor, action, ev):
+ """
+ Trigger a particular event for the artist. Fallback to axes,
+ to figure, and to 'all' if the event is not processed.
+ """
+ if action not in self.events:
+ raise ValueError, "Trigger expects " + ", ".join(self.events)
+ # Tag the event with modifiers
+ for mod in ('alt', 'control', 'shift', 'meta'):
+ setattr(ev, mod, getattr(self, mod))
+ setattr(ev, 'artist', None)
+ setattr(ev, 'action', action)
+ setattr(ev, 'prop', {})
+ # Fallback scheme. If the event does not return false, pass to parent.
+ processed = False
+ artist, prop = actor.artist, actor.prop
+ if artist in self._actions[action]:
+ ev.artist, ev.prop = artist, prop
+ processed = self._actions[action][artist](ev)
+ if not processed and ev.inaxes in self._actions[action]:
+ ev.artist, ev.prop = ev.inaxes, {}
+ processed = self._actions[action][ev.inaxes](ev)
+ if not processed and self.figure in self._actions[action]:
+ ev.artist, ev.prop = self.figure, {}
+ processed = self._actions[action][self.figure](ev)
+ if not processed and 'all' in self._actions[action]:
+ ev.artist, ev.prop = None, {}
+ processed = self._actions[action]['all'](ev)
+ return processed
+
+ def _find_current(self, event):
+ """
+ Find the artist who will receive the event. Only search
+ registered artists. All others are invisible to the mouse.
+ """
+ # TODO: sort by zorder of axes then by zorder within axes
+ self._artists.sort(cmp=lambda x, y: cmp(y.zorder, x.zorder))
+ # print "search"," ".join([str(h) for h in self._artists])
+ found = Selection()
+ # print "searching in",self._artists
+ for artist in self._artists:
+ # TODO: should contains() return false if invisible?
+ if not artist.get_visible():
+ continue
+ # TODO: optimization - exclude artists not inaxes
+ try:
+ inside, prop = artist.contains(event)
+ except:
+ # Probably an old version of matplotlib
+ inside = False
+ if inside:
+ found.artist, found.prop = artist, prop
+ break
+ # print "found",found.artist
+
+ # TODO: how to check if prop is equal?
+ if found != self._current:
+ self.trigger(self._current, 'leave', event)
+ self.trigger(found, 'enter', event)
+ self._current = found
+ return found
+
+ def _onMotion(self, event):
+ """
+ Track enter/leave/motion through registered artists; all
+ other artists are invisible.
+ """
+ # # Can't kill double-click on motion since Windows produces
+ # # spurious motion events.
+ # self._last_button = None
+
+ # Dibs on the motion event for the clicked artist
+ if self._hasclick:
+ # Make sure the x,y data use the coordinate system of the
+ # artist rather than the default axes coordinates.
+
+ transform = self._hasclick.artist.get_transform()
+ # x,y = event.xdata,event.ydata
+ x, y = event.x, event.y
+ try:
+ x, y = transform.inverted().transform_point((x, y))
+
+ except:
+ x, y = transform.inverse_xy_tup((x, y))
+ event.xdata, event.ydata = x, y
+ self.trigger(self._hasclick, 'drag', event)
+ else:
+ found = self._find_current(event)
+ # print "found",found.artist
+ self.trigger(found, 'motion', event)
+
+ def _onClick(self, event):
+ """
+ Process button click
+ """
+ import time
+
+ # Check for double-click
+ event_time = time.time()
+ # print event_time,self._last_time,self.dclick_threshhold
+ # print (event_time > self._last_time + self.dclick_threshhold)
+ # print event.button,self._last_button
+ if (event.button != self._last_button) or \
+ (event_time > self._last_time + self.dclick_threshhold):
+ action = 'click'
+ else:
+ action = 'dclick'
+ self._last_button = event.button
+ self._last_time = event_time
+
+ # If an artist is already dragging, feed any additional button
+ # presses to that artist.
+ # TODO: do we want to force a single button model on the user?
+ # TODO: that is, once a button is pressed, no other buttons
+ # TODO: can come through? I think this belongs in canvas, not here.
+ if self._hasclick:
+ found = self._hasclick
+ else:
+ found = self._find_current(event)
+ # print "button %d pressed"%event.button
+ # Note: it seems like if "click" returns False then hasclick should
+ # not be set. The problem is that there are two reasons it can
+ # return false: because there is no click action for this artist
+ # or because the click action returned false. A related problem
+ # is that click actions will go to the canvas if there is no click
+ # action for the artist, even if the artist has a drag. I'll leave
+ # it to future maintainers to sort out this problem. For now the
+ # recommendation is that users should define click if they have
+ # drag or release on the artist.
+ self.trigger(found, action, event)
+ self._hasclick = found
+
+ def _onDClick(self, event):
+ """
+ Process button double click
+ """
+ # If an artist is already dragging, feed any additional button
+ # presses to that artist.
+ # TODO: do we want to force a single button model on the user?
+ # TODO: that is, once a button is pressed, no other buttons
+ # TODO: can come through? I think this belongs in canvas, not here.
+ if self._hasclick:
+ found = self._hasclick
+ else:
+ found = self._find_current(event)
+ self.trigger(found, 'dclick', event)
+ self._hasclick = found
+
+ def _onRelease(self, event):
+ """
+ Process release release
+ """
+ self.trigger(self._hasclick, 'release', event)
+ self._hasclick = Selection()
+
+ def _onKey(self, event):
+ """
+ Process key click
+ """
+ # TODO: Do we really want keyboard focus separate from mouse focus?
+ # TODO: Do we need an explicit focus command for keyboard?
+ # TODO: Can we tab between items?
+ # TODO: How do unhandled events get propogated to axes, figure and
+ # TODO: finally to application? Do we need to implement a full tags
+ # TODO: architecture a la Tk?
+ # TODO: Do modifiers cause a grab? Does the artist see the modifiers?
+ if event.key in ('alt', 'meta', 'control', 'shift'):
+ setattr(self, event.key, True)
+ return
+
+ if self._haskey:
+ found = self._haskey
+ else:
+ found = self._find_current(event)
+ self.trigger(found, 'key', event)
+ self._haskey = found
+
+ def _onKeyRelease(self, event):
+ """
+ Process key release
+ """
+ if event.key in ('alt', 'meta', 'control', 'shift'):
+ setattr(self, event.key, False)
+ return
+ if self._haskey:
+ self.trigger(self._haskey, 'keyup', event)
+ self._haskey = Selection()
+
+ def _onScroll(self, event):
+ """
+ Process scroll event
+ """
+ found = self._find_current(event)
+ self.trigger(found, 'scroll', event)
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/boxMask.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/boxMask.py
new file mode 100644
index 0000000..7b396b0
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/boxMask.py
@@ -0,0 +1,241 @@
+import math
+from BaseInteractor import _BaseInteractor
+from boxSum import PointInteractor
+from boxSum import VerticalDoubleLine
+from boxSum import HorizontalDoubleLine
+
+
+class BoxMask(_BaseInteractor):
+ """
+ BoxMask Class: determine 2 rectangular area to find the pixel of
+ a Data inside of box.
+
+ Uses PointerInteractor , VerticalDoubleLine,HorizontalDoubleLine.
+
+ :param zorder: Artists with lower zorder values are drawn first.
+ :param x_min: the minimum value of the x coordinate
+ :param x_max: the maximum value of the x coordinate
+ :param y_min: the minimum value of the y coordinate
+ :param y_max: the maximum value of the y coordinate
+
+ """
+ def __init__(self, base, axes, color='black', zorder=3, side=None,
+ x_min=0.008, x_max=0.008, y_min=0.0025, y_max=0.0025):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # # class initialization
+ # # list of Boxmask markers
+ self.markers = []
+ self.axes = axes
+ self.mask = None
+ self.is_inside = side
+ # # connect the artist for the motion
+ self.connect = self.base.connect
+ # # when qmax is reached the selected line is reset
+ # the its previous value
+ self.qmax = min(self.base.data.xmax, self.base.data.xmin)
+ # # Define the box limits
+ self.xmin = -1 * 0.5 * min(math.fabs(self.base.data.xmax),
+ math.fabs(self.base.data.xmin))
+ self.ymin = -1 * 0.5 * min(math.fabs(self.base.data.xmax),
+ math.fabs(self.base.data.xmin))
+ self.xmax = 0.5 * min(math.fabs(self.base.data.xmax),
+ math.fabs(self.base.data.xmin))
+ self.ymax = 0.5 * min(math.fabs(self.base.data.xmax),
+ math.fabs(self.base.data.xmin))
+ # # center of the box
+ self.center_x = 0.0002
+ self.center_y = 0.0003
+ # # Number of points on the plot
+ self.nbins = 20
+ # # Define initial result the summation
+ self.count = 0
+ self.error = 0
+ self.data = self.base.data
+ # # Flag to determine if the current figure has moved
+ # # set to False == no motion , set to True== motion
+ self.has_move = False
+ # # Create Box edges
+ self.horizontal_lines = HorizontalDoubleLine(self,
+ self.base.subplot,
+ color='blue',
+ zorder=zorder,
+ y=self.ymax,
+ x=self.xmax,
+ center_x=self.center_x,
+ center_y=self.center_y)
+ self.horizontal_lines.qmax = self.qmax
+
+ self.vertical_lines = VerticalDoubleLine(self,
+ self.base.subplot,
+ color='grey',
+ zorder=zorder,
+ y=self.ymax,
+ x=self.xmax,
+ center_x=self.center_x,
+ center_y=self.center_y)
+ self.vertical_lines.qmax = self.qmax
+
+ self.center = PointInteractor(self,
+ self.base.subplot, color='grey',
+ zorder=zorder,
+ center_x=self.center_x,
+ center_y=self.center_y)
+ # # Save the name of the slicer panel associate with this slicer
+ self.panel_name = ""
+ # # Update and post slicer parameters
+ self.update()
+ self._post_data()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ self.horizontal_lines.clear()
+ self.vertical_lines.clear()
+ self.center.clear()
+ self.base.connect.clearall()
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # check if the center point has moved and update the figure accordingly
+ if self.center.has_move:
+ self.center.update()
+ self.horizontal_lines.update(center=self.center)
+ self.vertical_lines.update(center=self.center)
+ # # check if the horizontal lines have moved and update
+ # the figure accordingly
+ if self.horizontal_lines.has_move:
+ self.horizontal_lines.update()
+ self.vertical_lines.update(y1=self.horizontal_lines.y1,
+ y2=self.horizontal_lines.y2,
+ height=self.horizontal_lines.half_height)
+ # # check if the vertical lines have moved and update
+ # the figure accordingly
+ if self.vertical_lines.has_move:
+ self.vertical_lines.update()
+ self.horizontal_lines.update(x1=self.vertical_lines.x1,
+ x2=self.vertical_lines.x2,
+ width=self.vertical_lines.half_width)
+ # if self.is_inside != None:
+ out = self._post_data()
+ return out
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.horizontal_lines.save(ev)
+ self.vertical_lines.save(ev)
+ self.center.save(ev)
+
+ def _post_data(self):
+ """
+ Get the limits of the boxsum and compute the sum of the pixel
+ contained in that region and the error on that sum
+ """
+ from sas.sascalc.dataloader.manipulations import Boxcut
+ # # Data 2D for which the pixel will be summed
+ data = self.base.data
+ mask = data.mask
+ # # the region of the summation
+ x_min = self.horizontal_lines.x2
+ x_max = self.horizontal_lines.x1
+ y_min = self.vertical_lines.y2
+ y_max = self.vertical_lines.y1
+ mask = Boxcut(x_min=x_min, x_max=x_max, y_min=y_min, y_max=y_max)
+
+ if self.is_inside:
+ out = (mask(data) == False)
+ else:
+ out = (mask(data))
+ # self.base.data.mask=out
+ self.mask = mask
+ return out
+
+ def moveend(self, ev):
+ """
+ After a dragging motion this function is called to compute
+ the error and the sum of pixel of a given data 2D
+ """
+ self.base.thaw_axes()
+ # # post
+ self._post_data()
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.horizontal_lines.restore()
+ self.vertical_lines.restore()
+ self.center.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ params["Width"] = math.fabs(self.vertical_lines.half_width) * 2
+ params["Height"] = math.fabs(self.horizontal_lines.half_height) * 2
+ params["center_x"] = self.center.x
+ params["center_y"] = self.center.y
+ return params
+
+ def get_mask(self):
+ """
+ return mask as a result of boxcut
+ """
+ mask = self.mask
+ return mask
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+ """
+ x_max = math.fabs(params["Width"]) / 2
+ y_max = math.fabs(params["Height"]) / 2
+
+ self.center_x = params["center_x"]
+ self.center_y = params["center_y"]
+ # update the slicer given values of params
+ self.center.update(center_x=self.center_x, center_y=self.center_y)
+ self.horizontal_lines.update(center=self.center, width=x_max, height=y_max)
+ self.vertical_lines.update(center=self.center, width=x_max, height=y_max)
+ # compute the new error and sum given values of params
+ self._post_data()
+
+ def freeze_axes(self):
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ self.base.thaw_axes()
+
+ def draw(self):
+ self.base.update()
+
+class inner_BoxMask(BoxMask):
+ def __call__(self):
+ self.base.data.mask = (self._post_data() == False)
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/boxSlicer.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/boxSlicer.py
new file mode 100644
index 0000000..fe19cbf
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/boxSlicer.py
@@ -0,0 +1,540 @@
+import wx
+import math
+import numpy
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+from BaseInteractor import _BaseInteractor
+from sas.sasgui.guiframe.dataFitting import Data1D
+
+
+class BoxInteractor(_BaseInteractor):
+ """
+ BoxInteractor define a rectangle that return data1D average of Data2D
+ in a rectangle area defined by -x, x ,y, -y
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # # Class initialization
+ self.markers = []
+ self.axes = axes
+ # #connecting artist
+ self.connect = self.base.connect
+ # # which direction is the preferred interaction direction
+ self.direction = None
+ # # determine x y values
+ self.x = 0.5 * min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin))
+ self.y = 0.5 * min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin))
+ # # when reach qmax reset the graph
+ self.qmax = max(self.base.data2D.xmax, self.base.data2D.xmin,
+ self.base.data2D.ymax, self.base.data2D.ymin)
+ # # Number of points on the plot
+ self.nbins = 30
+ # # If True, I(|Q|) will be return, otherwise,
+ # negative q-values are allowed
+ self.fold = True
+ # # reference of the current Slab averaging
+ self.averager = None
+ # # Create vertical and horizaontal lines for the rectangle
+ self.vertical_lines = VerticalLines(self,
+ self.base.subplot,
+ color='blue',
+ zorder=zorder,
+ y=self.y,
+ x=self.x)
+ self.vertical_lines.qmax = self.qmax
+
+ self.horizontal_lines = HorizontalLines(self,
+ self.base.subplot,
+ color='green',
+ zorder=zorder,
+ x=self.x,
+ y=self.y)
+ self.horizontal_lines.qmax = self.qmax
+ # # draw the rectangle and plost the data 1D resulting
+ # # of averaging data2D
+ self.update()
+ self._post_data()
+ # # Bind to slice parameter events
+ self.base.Bind(EVT_SLICER_PARS, self._onEVT_SLICER_PARS)
+
+ def _onEVT_SLICER_PARS(self, event):
+ """
+ receive an event containing parameters values to reset the slicer
+
+ :param event: event of type SlicerParameterEvent with params as
+ attribute
+ """
+ wx.PostEvent(self.base.parent,
+ StatusEvent(status="BoxSlicer._onEVT_SLICER_PARS"))
+ event.Skip()
+ if event.type == self.__class__.__name__:
+ self.set_params(event.params)
+ self.base.update()
+
+ def update_and_post(self):
+ """
+ Update the slicer and plot the resulting data
+ """
+ self.update()
+ self._post_data()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.averager = None
+ self.clear_markers()
+ self.horizontal_lines.clear()
+ self.vertical_lines.clear()
+ self.base.connect.clearall()
+ self.base.Unbind(EVT_SLICER_PARS)
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # #Update the slicer if an horizontal line is dragged
+ if self.horizontal_lines.has_move:
+ self.horizontal_lines.update()
+ self.vertical_lines.update(y=self.horizontal_lines.y)
+ # #Update the slicer if a vertical line is dragged
+ if self.vertical_lines.has_move:
+ self.vertical_lines.update()
+ self.horizontal_lines.update(x=self.vertical_lines.x)
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.vertical_lines.save(ev)
+ self.horizontal_lines.save(ev)
+
+ def _post_data(self):
+ pass
+
+ def post_data(self, new_slab=None, nbins=None, direction=None):
+ """
+ post data averaging in Qx or Qy given new_slab type
+
+ :param new_slab: slicer that determine with direction to average
+ :param nbins: the number of points plotted when averaging
+ :param direction: the direction of averaging
+
+ """
+ if self.direction == None:
+ self.direction = direction
+
+ x_min = -1 * math.fabs(self.vertical_lines.x)
+ x_max = math.fabs(self.vertical_lines.x)
+ y_min = -1 * math.fabs(self.horizontal_lines.y)
+ y_max = math.fabs(self.horizontal_lines.y)
+
+ if nbins != None:
+ self.nbins = nbins
+ if self.averager == None:
+ if new_slab == None:
+ msg = "post data:cannot average , averager is empty"
+ raise ValueError, msg
+ self.averager = new_slab
+ if self.direction == "X":
+ if self.fold:
+ x_low = 0
+ else:
+ x_low = math.fabs(x_min)
+ bin_width = (x_max + x_low) / self.nbins
+ elif self.direction == "Y":
+ if self.fold:
+ y_low = 0
+ else:
+ y_low = math.fabs(y_min)
+ bin_width = (y_max + y_low) / self.nbins
+ else:
+ msg = "post data:no Box Average direction was supplied"
+ raise ValueError, msg
+ # # Average data2D given Qx or Qy
+ box = self.averager(x_min=x_min, x_max=x_max, y_min=y_min, y_max=y_max,
+ bin_width=bin_width)
+ box.fold = self.fold
+ boxavg = box(self.base.data2D)
+ # 3 Create Data1D to plot
+ if hasattr(boxavg, "dxl"):
+ dxl = boxavg.dxl
+ else:
+ dxl = None
+ if hasattr(boxavg, "dxw"):
+ dxw = boxavg.dxw
+ else:
+ dxw = None
+ new_plot = Data1D(x=boxavg.x, y=boxavg.y, dy=boxavg.dy)
+ new_plot.dxl = dxl
+ new_plot.dxw = dxw
+ new_plot.name = str(self.averager.__name__) + \
+ "(" + self.base.data2D.name + ")"
+ new_plot.source = self.base.data2D.source
+ new_plot.interactive = True
+ new_plot.detector = self.base.data2D.detector
+ # # If the data file does not tell us what the axes are, just assume...
+ new_plot.xaxis("\\rm{Q}", "A^{-1}")
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+
+ data = self.base.data2D
+ if hasattr(data, "scale") and data.scale == 'linear' and \
+ self.base.data2D.name.count("Residuals") > 0:
+ new_plot.ytransform = 'y'
+ new_plot.yaxis("\\rm{Residuals} ", "/")
+
+ new_plot.group_id = "2daverage" + self.base.data2D.name
+ new_plot.id = (self.averager.__name__) + self.base.data2D.name
+ new_plot.is_data = True
+ self.base.parent.update_theory(data_id=self.base.data2D.id, \
+ theory=new_plot)
+ wx.PostEvent(self.base.parent,
+ NewPlotEvent(plot=new_plot, title=str(self.averager.__name__)))
+
+ def moveend(self, ev):
+ """
+ Called after a dragging event.
+ Post the slicer new parameters and creates a new Data1D
+ corresponding to the new average
+ """
+ self.base.thaw_axes()
+ # Post paramters
+ event = SlicerParameterEvent()
+ event.type = self.__class__.__name__
+ event.params = self.get_params()
+ wx.PostEvent(self.base.parent, event)
+ # create the new data1D
+ self._post_data()
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.horizontal_lines.restore()
+ self.vertical_lines.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ params["x_max"] = math.fabs(self.vertical_lines.x)
+ params["y_max"] = math.fabs(self.horizontal_lines.y)
+ params["nbins"] = self.nbins
+ return params
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+ """
+ self.x = float(math.fabs(params["x_max"]))
+ self.y = float(math.fabs(params["y_max"]))
+ self.nbins = params["nbins"]
+
+ self.horizontal_lines.update(x=self.x, y=self.y)
+ self.vertical_lines.update(x=self.x, y=self.y)
+ self.post_data(nbins=None)
+
+ def freeze_axes(self):
+ """
+ """
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ """
+ """
+ self.base.thaw_axes()
+
+ def draw(self):
+ """
+ """
+ self.base.draw()
+
+
+class HorizontalLines(_BaseInteractor):
+ """
+ Draw 2 Horizontal lines centered on (0,0) that can move
+ on the x- direction and in opposite direction
+ """
+ def __init__(self, base, axes, color='black', zorder=5, x=0.5, y=0.5):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # #Class initialization
+ self.markers = []
+ self.axes = axes
+ # # Saving the end points of two lines
+ self.x = x
+ self.save_x = x
+
+ self.y = y
+ self.save_y = y
+ # # Creating a marker
+ # Inner circle marker
+ self.inner_marker = self.axes.plot([0], [self.y], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder,
+ visible=True)[0]
+ # # Define 2 horizontal lines
+ self.top_line = self.axes.plot([self.x, -self.x], [self.y, self.y],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ self.bottom_line = self.axes.plot([self.x, -self.x], [-self.y, -self.y],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ # # Flag to check the motion of the lines
+ self.has_move = False
+ # # Connecting markers to mouse events and draw
+ self.connect_markers([self.top_line, self.inner_marker])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear this slicer and its markers
+ """
+ self.clear_markers()
+ try:
+ self.inner_marker.remove()
+ self.top_line.remove()
+ self.bottom_line.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, x=None, y=None):
+ """
+ Draw the new roughness on the graph.
+
+ :param x: x-coordinates to reset current class x
+ :param y: y-coordinates to reset current class y
+
+ """
+ # # Reset x, y- coordinates if send as parameters
+ if x != None:
+ self.x = numpy.sign(self.x) * math.fabs(x)
+ if y != None:
+ self.y = numpy.sign(self.y) * math.fabs(y)
+ # # Draw lines and markers
+ self.inner_marker.set(xdata=[0], ydata=[self.y])
+ self.top_line.set(xdata=[self.x, -self.x], ydata=[self.y, self.y])
+ self.bottom_line.set(xdata=[self.x, -self.x], ydata=[-self.y, -self.y])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_x = self.x
+ self.save_y = self.y
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ Called after a dragging this edge and set self.has_move to False
+ to specify the end of dragging motion
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.x = self.save_x
+ self.y = self.save_y
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.y = y
+ self.has_move = True
+ self.base.base.update()
+
+
+class VerticalLines(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot
+ """
+ def __init__(self, base, axes, color='black', zorder=5, x=0.5, y=0.5):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.markers = []
+ self.axes = axes
+ self.x = math.fabs(x)
+ self.save_x = self.x
+ self.y = math.fabs(y)
+ self.save_y = y
+ # Inner circle marker
+ self.inner_marker = self.axes.plot([self.x], [0], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder, visible=True)[0]
+ self.right_line = self.axes.plot([self.x, self.x],
+ [self.y, -self.y],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ self.left_line = self.axes.plot([-self.x, -self.x],
+ [self.y, -self.y],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ self.has_move = False
+ self.connect_markers([self.right_line, self.inner_marker])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+
+ :param n: the number of layer
+
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear this slicer and its markers
+ """
+ self.clear_markers()
+ try:
+ self.inner_marker.remove()
+ self.left_line.remove()
+ self.right_line.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, x=None, y=None):
+ """
+ Draw the new roughness on the graph.
+
+ :param x: x-coordinates to reset current class x
+ :param y: y-coordinates to reset current class y
+
+ """
+ # # reset x, y -coordinates if given as parameters
+ if x != None:
+ self.x = numpy.sign(self.x) * math.fabs(x)
+ if y != None:
+ self.y = numpy.sign(self.y) * math.fabs(y)
+ # # draw lines and markers
+ self.inner_marker.set(xdata=[self.x], ydata=[0])
+ self.left_line.set(xdata=[-self.x, -self.x], ydata=[self.y, -self.y])
+ self.right_line.set(xdata=[self.x, self.x], ydata=[self.y, -self.y])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_x = self.x
+ self.save_y = self.y
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ Called after a dragging this edge and set self.has_move to False
+ to specify the end of dragging motion
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.x = self.save_x
+ self.y = self.save_y
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.has_move = True
+ self.x = x
+ self.base.base.update()
+
+
+class BoxInteractorX(BoxInteractor):
+ """
+ Average in Qx direction
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+ BoxInteractor.__init__(self, base, axes, color=color)
+ self.base = base
+ self._post_data()
+
+ def _post_data(self):
+ """
+ Post data creating by averaging in Qx direction
+ """
+ from sas.sascalc.dataloader.manipulations import SlabX
+ self.post_data(SlabX, direction="X")
+
+
+class BoxInteractorY(BoxInteractor):
+ """
+ Average in Qy direction
+ """
+ def __init__(self, base, axes, color='black', zorder=3):
+ BoxInteractor.__init__(self, base, axes, color=color)
+ self.base = base
+ self._post_data()
+
+ def _post_data(self):
+ """
+ Post data creating by averaging in Qy direction
+ """
+ from sas.sascalc.dataloader.manipulations import SlabY
+ self.post_data(SlabY, direction="Y")
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/boxSum.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/boxSum.py
new file mode 100644
index 0000000..471354f
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/boxSum.py
@@ -0,0 +1,741 @@
+"""
+ Boxsum Class: determine 2 rectangular area to compute
+ the sum of pixel of a Data.
+"""
+import math
+import wx
+from BaseInteractor import _BaseInteractor
+from sas.sasgui.guiframe.events import SlicerParamUpdateEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+from sas.sasgui.guiframe.events import StatusEvent
+
+
+class BoxSum(_BaseInteractor):
+ """
+ Boxsum Class: determine 2 rectangular area to compute
+ the sum of pixel of a Data.
+ Uses PointerInteractor , VerticalDoubleLine,HorizontalDoubleLine.
+ @param zorder: Artists with lower zorder values are drawn first.
+ @param x_min: the minimum value of the x coordinate
+ @param x_max: the maximum value of the x coordinate
+ @param y_min: the minimum value of the y coordinate
+ @param y_max: the maximum value of the y coordinate
+
+ """
+ def __init__(self, base, axes, color='black', zorder=3, x_min=0.008,
+ x_max=0.008, y_min=0.0025, y_max=0.0025):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # # class initialization
+ # # list of Boxsmun markers
+ self.markers = []
+ self.axes = axes
+ # # connect the artist for the motion
+ self.connect = self.base.connect
+ # # when qmax is reached the selected line is reset the its previous value
+ self.qmax = min(self.base.data2D.xmax, self.base.data2D.xmin)
+ # # Define the boxsum limits
+ self.xmin = -1 * 0.5 * min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin))
+ self.ymin = -1 * 0.5 * min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin))
+ self.xmax = 0.5 * min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin))
+ self.ymax = 0.5 * min(math.fabs(self.base.data2D.xmax),
+ math.fabs(self.base.data2D.xmin))
+ # # center of the boxSum
+ self.center_x = 0.0002
+ self.center_y = 0.0003
+ # # Number of points on the plot
+ self.nbins = 20
+ # # Define initial result the summation
+ self.count = 0
+ self.error = 0
+ self.total = 0
+ self.totalerror = 0
+ self.points = 0
+ # # Flag to determine if the current figure has moved
+ # # set to False == no motion , set to True== motion
+ self.has_move = False
+ # # Create Boxsum edges
+ self.horizontal_lines = HorizontalDoubleLine(self,
+ self.base.subplot,
+ color='blue',
+ zorder=zorder,
+ y=self.ymax,
+ x=self.xmax,
+ center_x=self.center_x,
+ center_y=self.center_y)
+ self.horizontal_lines.qmax = self.qmax
+
+ self.vertical_lines = VerticalDoubleLine(self,
+ self.base.subplot,
+ color='black',
+ zorder=zorder,
+ y=self.ymax,
+ x=self.xmax,
+ center_x=self.center_x,
+ center_y=self.center_y)
+ self.vertical_lines.qmax = self.qmax
+
+ self.center = PointInteractor(self,
+ self.base.subplot, color='grey',
+ zorder=zorder,
+ center_x=self.center_x,
+ center_y=self.center_y)
+ # # Save the name of the slicer panel associate with this slicer
+ self.panel_name = ""
+ # # Update and post slicer parameters
+ self.update()
+ self._post_data()
+ # # Bind to slice parameter events
+ self.base.Bind(EVT_SLICER_PARS, self._onEVT_SLICER_PARS)
+
+ def set_panel_name(self, name):
+ """
+ Store the name of the panel associated to this slicer
+ @param name: the name of this panel
+ """
+ self.panel_name = name
+
+ def _onEVT_SLICER_PARS(self, event):
+ """
+ receive an event containing parameters values to reset the slicer
+ @param event: event of type SlicerParameterEvent with params as
+ attribute
+ """
+ # # Post e message to declare what kind of event has being received
+ wx.PostEvent(self.base.parent,
+ StatusEvent(status="Boxsum._onEVT_SLICER_PARS"))
+ event.Skip()
+ # # reset the slicer with the values contains the event.params dictionary
+ if event.type == self.__class__.__name__:
+ self.set_params(event.params)
+ self.base.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+ :param n: the number of layer
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ self.horizontal_lines.clear()
+ self.vertical_lines.clear()
+ self.center.clear()
+ self.base.connect.clearall()
+ self.base.Unbind(EVT_SLICER_PARS)
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # # check if the center point has moved and update the figure accordingly
+ if self.center.has_move:
+ self.center.update()
+ self.horizontal_lines.update(center=self.center)
+ self.vertical_lines.update(center=self.center)
+ # # check if the horizontal lines have moved and
+ # update the figure accordingly
+ if self.horizontal_lines.has_move:
+ self.horizontal_lines.update()
+ self.vertical_lines.update(y1=self.horizontal_lines.y1,
+ y2=self.horizontal_lines.y2,
+ height=self.horizontal_lines.half_height)
+ # # check if the vertical lines have moved and
+ # update the figure accordingly
+ if self.vertical_lines.has_move:
+ self.vertical_lines.update()
+ self.horizontal_lines.update(x1=self.vertical_lines.x1,
+ x2=self.vertical_lines.x2,
+ width=self.vertical_lines.half_width)
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.horizontal_lines.save(ev)
+ self.vertical_lines.save(ev)
+ self.center.save(ev)
+
+ def _post_data(self):
+ """
+ Get the limits of the boxsum and compute the sum of the pixel
+ contained in that region and the error on that sum
+ """
+ # # the region of the summation
+ x_min = self.horizontal_lines.x2
+ x_max = self.horizontal_lines.x1
+ y_min = self.vertical_lines.y2
+ y_max = self.vertical_lines.y1
+ # #computation of the sum and its error
+ from sas.sascalc.dataloader.manipulations import Boxavg
+ box = Boxavg(x_min=x_min, x_max=x_max, y_min=y_min, y_max=y_max)
+ self.count, self.error = box(self.base.data2D)
+ # Dig out number of points summed, SMK & PDB, 04/03/2013
+ from sas.sascalc.dataloader.manipulations import Boxsum
+ boxtotal = Boxsum(x_min=x_min, x_max=x_max, y_min=y_min, y_max=y_max)
+ self.total, self.totalerror, self.points = boxtotal(self.base.data2D)
+
+ def moveend(self, ev):
+ """
+ After a dragging motion this function is called to compute
+ the error and the sum of pixel of a given data 2D
+ """
+ self.base.thaw_axes()
+ # # compute error an d sum of data's pixel
+ self._post_data()
+ # # Create and event ( posted to guiframe)that set the
+ # #current slicer parameter to a panel of name self.panel_name
+ self.type = self.__class__.__name__
+ params = self.get_params()
+ event = SlicerParamUpdateEvent(type=self.type,
+ params=params,
+ panel_name=self.panel_name)
+ wx.PostEvent(self.base.parent, event)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.horizontal_lines.restore()
+ self.vertical_lines.restore()
+ self.center.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ """
+ """
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+ :return params: the dictionary created
+ """
+ params = {}
+ params["Width"] = math.fabs(self.vertical_lines.half_width) * 2
+ params["Height"] = math.fabs(self.horizontal_lines.half_height) * 2
+ params["center_x"] = self.center.x
+ params["center_y"] = self.center.y
+ params["num_points"] = self.points
+ params["avg"] = self.count
+ params["avg_error"] = self.error
+ params["sum"] = self.total
+ params["sum_error"] = self.totalerror
+ return params
+
+ def get_result(self):
+ """
+ return the result of box summation
+ """
+ result = {}
+ result["num_points"] = self.points
+ result["avg"] = self.count
+ result["avg_error"] = self.error
+ result["sum"] = self.total
+ result["sum_error"] = self.totalerror
+ return result
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+ :param params: a dictionary containing name of slicer parameters and values the user assigned to the slicer.
+ """
+ x_max = math.fabs(params["Width"]) / 2
+ y_max = math.fabs(params["Height"]) / 2
+
+ self.center_x = params["center_x"]
+ self.center_y = params["center_y"]
+ # update the slicer given values of params
+ self.center.update(center_x=self.center_x, center_y=self.center_y)
+ self.horizontal_lines.update(center=self.center,
+ width=x_max, height=y_max)
+ self.vertical_lines.update(center=self.center,
+ width=x_max, height=y_max)
+ # compute the new error and sum given values of params
+ self._post_data()
+
+ def freeze_axes(self):
+ """
+ """
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ """
+ """
+ self.base.thaw_axes()
+
+ def draw(self):
+ """
+ """
+ self.base.draw()
+
+
+
+class PointInteractor(_BaseInteractor):
+ """
+ Draw a point that can be dragged with the marker.
+ this class controls the motion the center of the BoxSum
+ """
+ def __init__(self, base, axes, color='black', zorder=5, center_x=0.0,
+ center_y=0.0):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # # Initialization the class
+ self.markers = []
+ self.axes = axes
+ # center coordinates
+ self.x = center_x
+ self.y = center_y
+ # # saved value of the center coordinates
+ self.save_x = center_x
+ self.save_y = center_y
+ # # Create a marker
+ self.center_marker = self.axes.plot([self.x], [self.y], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder,
+ visible=True)[0]
+ # # Draw a point
+ self.center = self.axes.plot([self.x], [self.y],
+ linestyle='-', marker='',
+ color=self.color,
+ visible=True)[0]
+ # # Flag to determine the motion this point
+ self.has_move = False
+ # # connecting the marker to allow them to move
+ self.connect_markers([self.center_marker])
+ # # Update the figure
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+ @param n: the number of layer
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear this figure and its markers
+ """
+ self.clear_markers()
+ try:
+ self.center.remove()
+ self.center_marker.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, center_x=None, center_y=None):
+ """
+ Draw the new roughness on the graph.
+ """
+ if center_x != None:
+ self.x = center_x
+ if center_y != None:
+ self.y = center_y
+ self.center_marker.set(xdata=[self.x], ydata=[self.y])
+ self.center.set(xdata=[self.x], ydata=[self.y])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_x = self.x
+ self.save_y = self.y
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.y = self.save_y
+ self.x = self.save_x
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.x = x
+ self.y = y
+ self.has_move = True
+ self.base.base.update()
+
+ def set_cursor(self, x, y):
+ """
+ """
+ self.move(x, y, None)
+ self.update()
+
+class VerticalDoubleLine(_BaseInteractor):
+ """
+ Draw 2 vertical lines moving in opposite direction and centered on
+ a point (PointInteractor)
+ """
+ def __init__(self, base, axes, color='black', zorder=5, x=0.5, y=0.5,
+ center_x=0.0, center_y=0.0):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # # Initialization the class
+ self.markers = []
+ self.axes = axes
+ # # Center coordinates
+ self.center_x = center_x
+ self.center_y = center_y
+ # # defined end points vertical lignes and their saved values
+ self.y1 = y + self.center_y
+ self.save_y1 = self.y1
+
+ delta = self.y1 - self.center_y
+ self.y2 = self.center_y - delta
+ self.save_y2 = self.y2
+
+ self.x1 = x + self.center_x
+ self.save_x1 = self.x1
+
+ delta = self.x1 - self.center_x
+ self.x2 = self.center_x - delta
+ self.save_x2 = self.x2
+ # # save the color of the line
+ self.color = color
+ # # the height of the rectangle
+ self.half_height = math.fabs(y)
+ self.save_half_height = math.fabs(y)
+ # # the with of the rectangle
+ self.half_width = math.fabs(self.x1 - self.x2) / 2
+ self.save_half_width = math.fabs(self.x1 - self.x2) / 2
+ # # Create marker
+ self.right_marker = self.axes.plot([self.x1], [0], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder, visible=True)[0]
+
+ # # define the left and right lines of the rectangle
+ self.right_line = self.axes.plot([self.x1, self.x1], [self.y1, self.y2],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ self.left_line = self.axes.plot([self.x2, self.x2], [self.y1, self.y2],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ # # Flag to determine if the lines have moved
+ self.has_move = False
+ # # connection the marker and draw the pictures
+ self.connect_markers([self.right_marker])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+ :param n: the number of layer
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear this slicer and its markers
+ """
+ self.clear_markers()
+ try:
+ self.right_marker.remove()
+ self.right_line.remove()
+ self.left_line.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, x1=None, x2=None, y1=None, y2=None, width=None,
+ height=None, center=None):
+ """
+ Draw the new roughness on the graph.
+ :param x1: new maximum value of x coordinates
+ :param x2: new minimum value of x coordinates
+ :param y1: new maximum value of y coordinates
+ :param y2: new minimum value of y coordinates
+ :param width: is the width of the new rectangle
+ :param height: is the height of the new rectangle
+ :param center: provided x, y coordinates of the center point
+ """
+ # # save the new height, witdh of the rectangle if given as a param
+ if width != None:
+ self.half_width = width
+ if height != None:
+ self.half_height = height
+ # # If new center coordinates are given draw the rectangle
+ # #given these value
+ if center != None:
+ self.center_x = center.x
+ self.center_y = center.y
+ self.x1 = self.half_width + self.center_x
+ self.x2 = -self.half_width + self.center_x
+ self.y1 = self.half_height + self.center_y
+ self.y2 = -self.half_height + self.center_y
+
+ self.right_marker.set(xdata=[self.x1], ydata=[self.center_y])
+ self.right_line.set(xdata=[self.x1, self.x1],
+ ydata=[self.y1, self.y2])
+ self.left_line.set(xdata=[self.x2, self.x2],
+ ydata=[self.y1, self.y2])
+ return
+ # # if x1, y1, y2, y3 are given draw the rectangle with this value
+ if x1 != None:
+ self.x1 = x1
+ if x2 != None:
+ self.x2 = x2
+ if y1 != None:
+ self.y1 = y1
+ if y2 != None:
+ self.y2 = y2
+ # # Draw 2 vertical lines and a marker
+ self.right_marker.set(xdata=[self.x1], ydata=[self.center_y])
+ self.right_line.set(xdata=[self.x1, self.x1], ydata=[self.y1, self.y2])
+ self.left_line.set(xdata=[self.x2, self.x2], ydata=[self.y1, self.y2])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_x2 = self.x2
+ self.save_y2 = self.y2
+ self.save_x1 = self.x1
+ self.save_y1 = self.y1
+ self.save_half_height = self.half_height
+ self.save_half_width = self.half_width
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ After a dragging motion reset the flag self.has_move to False
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.y2 = self.save_y2
+ self.x2 = self.save_x2
+ self.y1 = self.save_y1
+ self.x1 = self.save_x1
+ self.half_height = self.save_half_height
+ self.half_width = self.save_half_width
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.x1 = x
+ delta = self.x1 - self.center_x
+ self.x2 = self.center_x - delta
+ self.half_width = math.fabs(self.x1 - self.x2) / 2
+ self.has_move = True
+ self.base.base.update()
+
+ def set_cursor(self, x, y):
+ """
+ Update the figure given x and y
+ """
+ self.move(x, y, None)
+ self.update()
+
+class HorizontalDoubleLine(_BaseInteractor):
+ """
+ Select an annulus through a 2D plot
+ """
+ def __init__(self, base, axes, color='black', zorder=5, x=0.5, y=0.5,
+ center_x=0.0, center_y=0.0):
+
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ # # Initialization the class
+ self.markers = []
+ self.axes = axes
+ # # Center coordinates
+ self.center_x = center_x
+ self.center_y = center_y
+ self.y1 = y + self.center_y
+ self.save_y1 = self.y1
+ delta = self.y1 - self.center_y
+ self.y2 = self.center_y - delta
+ self.save_y2 = self.y2
+ self.x1 = x + self.center_x
+ self.save_x1 = self.x1
+ delta = self.x1 - self.center_x
+ self.x2 = self.center_x - delta
+ self.save_x2 = self.x2
+ self.color = color
+ self.half_height = math.fabs(y)
+ self.save_half_height = math.fabs(y)
+ self.half_width = math.fabs(x)
+ self.save_half_width = math.fabs(x)
+ self.top_marker = self.axes.plot([0], [self.y1], linestyle='',
+ marker='s', markersize=10,
+ color=self.color, alpha=0.6,
+ pickradius=5, label="pick",
+ zorder=zorder, visible=True)[0]
+
+ # Define 2 horizotnal lines
+ self.top_line = self.axes.plot([self.x1, -self.x1], [self.y1, self.y1],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ self.bottom_line = self.axes.plot([self.x1, -self.x1],
+ [self.y2, self.y2],
+ linestyle='-', marker='',
+ color=self.color, visible=True)[0]
+ # # Flag to determine if the lines have moved
+ self.has_move = False
+ # # connection the marker and draw the pictures
+ self.connect_markers([self.top_marker])
+ self.update()
+
+ def set_layer(self, n):
+ """
+ Allow adding plot to the same panel
+ @param n: the number of layer
+ """
+ self.layernum = n
+ self.update()
+
+ def clear(self):
+ """
+ Clear this figure and its markers
+ """
+ self.clear_markers()
+ try:
+ self.top_marker.remove()
+ self.bottom_line.remove()
+ self.top_line.remove()
+ except:
+ # Old version of matplotlib
+ for item in range(len(self.axes.lines)):
+ del self.axes.lines[0]
+
+ def update(self, x1=None, x2=None, y1=None, y2=None,
+ width=None, height=None, center=None):
+ """
+ Draw the new roughness on the graph.
+ :param x1: new maximum value of x coordinates
+ :param x2: new minimum value of x coordinates
+ :param y1: new maximum value of y coordinates
+ :param y2: new minimum value of y coordinates
+ :param width: is the width of the new rectangle
+ :param height: is the height of the new rectangle
+ :param center: provided x, y coordinates of the center point
+ """
+ # # save the new height, witdh of the rectangle if given as a param
+ if width != None:
+ self.half_width = width
+ if height != None:
+ self.half_height = height
+ # # If new center coordinates are given draw the rectangle
+ # #given these value
+ if center != None:
+ self.center_x = center.x
+ self.center_y = center.y
+ self.x1 = self.half_width + self.center_x
+ self.x2 = -self.half_width + self.center_x
+
+ self.y1 = self.half_height + self.center_y
+ self.y2 = -self.half_height + self.center_y
+
+ self.top_marker.set(xdata=[self.center_x], ydata=[self.y1])
+ self.top_line.set(xdata=[self.x1, self.x2],
+ ydata=[self.y1, self.y1])
+ self.bottom_line.set(xdata=[self.x1, self.x2],
+ ydata=[self.y2, self.y2])
+ return
+ # # if x1, y1, y2, y3 are given draw the rectangle with this value
+ if x1 != None:
+ self.x1 = x1
+ if x2 != None:
+ self.x2 = x2
+ if y1 != None:
+ self.y1 = y1
+ if y2 != None:
+ self.y2 = y2
+ # # Draw 2 vertical lines and a marker
+ self.top_marker.set(xdata=[self.center_x], ydata=[self.y1])
+ self.top_line.set(xdata=[self.x1, self.x2], ydata=[self.y1, self.y1])
+ self.bottom_line.set(xdata=[self.x1, self.x2], ydata=[self.y2, self.y2])
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.save_x2 = self.x2
+ self.save_y2 = self.y2
+ self.save_x1 = self.x1
+ self.save_y1 = self.y1
+ self.save_half_height = self.half_height
+ self.save_half_width = self.half_width
+ self.base.freeze_axes()
+
+ def moveend(self, ev):
+ """
+ After a dragging motion reset the flag self.has_move to False
+ """
+ self.has_move = False
+ self.base.moveend(ev)
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.y2 = self.save_y2
+ self.x2 = self.save_x2
+ self.y1 = self.save_y1
+ self.x1 = self.save_x1
+ self.half_height = self.save_half_height
+ self.half_width = self.save_half_width
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ self.y1 = y
+ delta = self.y1 - self.center_y
+ self.y2 = self.center_y - delta
+ self.half_height = math.fabs(self.y1) - self.center_y
+ self.has_move = True
+ self.base.base.update()
+
+ def set_cursor(self, x, y):
+ """
+ Update the figure given x and y
+ """
+ self.move(x, y, None)
+ self.update()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/detector_dialog.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/detector_dialog.py
new file mode 100644
index 0000000..d16b229
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/detector_dialog.py
@@ -0,0 +1,282 @@
+"""
+ Widget to display a 2D map of the detector
+"""
+import wx
+import sys
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.events import StatusEvent
+from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as Canvas
+import matplotlib as mpl
+from matplotlib import pylab
+# FONT size
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+else:
+ FONT_VARIANT = 1
+
+DEFAULT_CMAP = pylab.cm.get_cmap('jet')
+
+class DetectorDialog(wx.Dialog):
+ """
+ Dialog box to let the user edit detector settings
+ """
+
+ def __init__(self, parent, id=1, base=None, dpi=None,
+ cmap=DEFAULT_CMAP, reset_zmin_ctl=None,
+ reset_zmax_ctl=None, *args, **kwds):
+ """
+ """
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ wx.Dialog.__init__(self, parent, id=1, *args, **kwds)
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.parent = base
+ self.dpi = dpi
+ self.cmap = cmap
+ self.reset_zmin_ctl = reset_zmin_ctl
+ self.reset_zmax_ctl = reset_zmax_ctl
+ self.label_xnpts = wx.StaticText(self, -1, "Detector width in pixels")
+ self.label_ynpts = wx.StaticText(self, -1, "Detector Height in pixels")
+ self.label_qmax = wx.StaticText(self, -1, "Q max")
+ self.label_zmin = wx.StaticText(self, -1,
+ "Min amplitude for color map (optional)")
+ self.label_zmax = wx.StaticText(self, -1,
+ "Max amplitude for color map (optional)")
+ self.label_beam = wx.StaticText(self, -1,
+ "Beam stop radius in units of q")
+ self.xnpts_ctl = wx.StaticText(self, -1, "")
+ self.ynpts_ctl = wx.StaticText(self, -1, "")
+ self.qmax_ctl = wx.StaticText(self, -1, "")
+ self.beam_ctl = wx.StaticText(self, -1, "")
+ self.zmin_ctl = wx.TextCtrl(self, -1, size=(60, 20))
+ self.zmin_ctl.Bind(wx.EVT_SET_FOCUS, self.onSetFocus)
+ self.zmax_ctl = wx.TextCtrl(self, -1, size=(60, 20))
+ self.zmax_ctl.Bind(wx.EVT_SET_FOCUS, self.onSetFocus)
+ self.static_line_3 = wx.StaticLine(self, -1)
+ self.button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+ self.button_reset = wx.Button(self, wx.NewId(), "Reset")
+ self.Bind(wx.EVT_BUTTON, self.resetValues, self.button_reset)
+ self.button_ok = wx.Button(self, wx.ID_OK, "OK")
+ self.Bind(wx.EVT_BUTTON, self.checkValues, self.button_ok)
+ self.__set_properties()
+ self.__do_layout()
+ self.Fit()
+
+ class Event(object):
+ """
+ """
+ xnpts = 0
+ ynpts = 0
+ qpax = 0
+ beam = 0
+ zmin = 0
+ zmax = 0
+ cmap = None
+ sym4 = False
+
+ def onSetFocus(self, event):
+ """
+ Highlight the txtcrtl
+ """
+ # Get a handle to the TextCtrl
+ widget = event.GetEventObject()
+ # Select the whole control, after this event resolves
+ wx.CallAfter(widget.SetSelection, -1, -1)
+
+ def resetValues(self, event):
+ """
+ reset detector info
+ """
+ try:
+ zmin = self.reset_zmin_ctl
+ zmax = self.reset_zmax_ctl
+ if zmin == None:
+ zmin = ""
+ if zmax == None:
+ zmax = ""
+ self.zmin_ctl.SetValue(str(zmin))
+ self.zmax_ctl.SetValue(str(zmax))
+ self.cmap = DEFAULT_CMAP
+ self.cmap_selector.SetStringSelection("jet")
+ self._on_select_cmap(event=None)
+ except:
+ msg = "error occurs while resetting Detector: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ def checkValues(self, event):
+ """
+ Check the valitidity of zmin and zmax value
+ zmax should be a float and zmin less than zmax
+ """
+ flag = True
+ try:
+ value = self.zmin_ctl.GetValue()
+ self.zmin_ctl.SetBackgroundColour(wx.WHITE)
+ self.zmin_ctl.Refresh()
+ except:
+ flag = False
+ wx.PostEvent(self.parent, StatusEvent(status="Enter float value"))
+ self.zmin_ctl.SetBackgroundColour("pink")
+ self.zmin_ctl.Refresh()
+ try:
+ value = self.zmax_ctl.GetValue()
+ if value and float(value) == 0.0:
+ flag = False
+ wx.PostEvent(self.parent,
+ StatusEvent(status="Enter number greater than zero"))
+ self.zmax_ctl.SetBackgroundColour("pink")
+ self.zmax_ctl.Refresh()
+ else:
+ self.zmax_ctl.SetBackgroundColour(wx.WHITE)
+ self.zmax_ctl.Refresh()
+ except:
+ flag = False
+ wx.PostEvent(self.parent, StatusEvent(status="Enter Integer value"))
+ self.zmax_ctl.SetBackgroundColour("pink")
+ self.zmax_ctl.Refresh()
+ if flag:
+ event.Skip(True)
+
+ def setContent(self, xnpts, ynpts, qmax, beam,
+ zmin=None, zmax=None, sym=False):
+ """
+ received value and displayed them
+
+ :param xnpts: the number of point of the x_bins of data
+ :param ynpts: the number of point of the y_bins of data
+ :param qmax: the maxmimum value of data pixel
+ :param beam: the radius of the beam
+ :param zmin: the value to get the minimum color
+ :param zmax: the value to get the maximum color
+ :param sym:
+
+ """
+ self.xnpts_ctl.SetLabel(str(format_number(xnpts)))
+ self.ynpts_ctl.SetLabel(str(format_number(ynpts)))
+ self.qmax_ctl.SetLabel(str(format_number(qmax)))
+ self.beam_ctl.SetLabel(str(format_number(beam)))
+ if zmin != None:
+ self.zmin_ctl.SetValue(str(format_number(zmin)))
+ if zmax != None:
+ self.zmax_ctl.SetValue(str(format_number(zmax)))
+
+ def getContent(self):
+ """
+ return event containing value to reset the detector of a given data
+ """
+ event = self.Event()
+ t_min = self.zmin_ctl.GetValue()
+ t_max = self.zmax_ctl.GetValue()
+ v_min = None
+ v_max = None
+ if len(t_min.lstrip()) > 0:
+ try:
+ v_min = float(t_min)
+ except:
+ v_min = None
+ if len(t_max.lstrip()) > 0:
+ try:
+ v_max = float(t_max)
+ except:
+ v_max = None
+ event.zmin = v_min
+ event.zmax = v_max
+ event.cmap = self.cmap
+ return event
+
+ def __set_properties(self):
+ """
+ set proprieties of the dialog window
+ """
+ self.SetTitle("2D Color Map")
+ self.SetSize((600, 595))
+
+ def __do_layout(self):
+ """
+ fill the dialog window .
+ """
+ sizer_main = wx.BoxSizer(wx.VERTICAL)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_params = wx.GridBagSizer(5, 5)
+ sizer_colormap = wx.BoxSizer(wx.VERTICAL)
+ sizer_selection = wx.BoxSizer(wx.HORIZONTAL)
+
+ iy = 0
+ sizer_params.Add(self.label_xnpts, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_params.Add(self.xnpts_ctl, (iy, 1), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ sizer_params.Add(self.label_ynpts, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_params.Add(self.ynpts_ctl, (iy, 1), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ sizer_params.Add(self.label_qmax, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_params.Add(self.qmax_ctl, (iy, 1), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ sizer_params.Add(self.label_beam, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_params.Add(self.beam_ctl, (iy, 1), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ sizer_params.Add(self.label_zmin, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_params.Add(self.zmin_ctl, (iy, 1), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ sizer_params.Add(self.label_zmax, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer_params.Add(self.zmax_ctl, (iy, 1), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ self.fig = mpl.figure.Figure(dpi=self.dpi, figsize=(4, 1))
+ self.ax1 = self.fig.add_axes([0.05, 0.65, 0.9, 0.15])
+ self.norm = mpl.colors.Normalize(vmin=0, vmax=100)
+ self.cb1 = mpl.colorbar.ColorbarBase(self.ax1, cmap=self.cmap,
+ norm=self.norm,
+ orientation='horizontal')
+ self.cb1.set_label('Detector Colors')
+ self.canvas = Canvas(self, -1, self.fig)
+ sizer_colormap.Add(self.canvas, 0, wx.LEFT | wx.EXPAND, 5)
+ self.cmap_selector = wx.ComboBox(self, -1)
+ self.cmap_selector.SetValue(str(self.cmap.name))
+ maps = sorted(m for m in pylab.cm.datad if not m.endswith("_r"))
+
+ for i, m in enumerate(maps):
+ self.cmap_selector.Append(str(m), pylab.get_cmap(m))
+
+ wx.EVT_COMBOBOX(self.cmap_selector, -1, self._on_select_cmap)
+ sizer_selection.Add(wx.StaticText(self, -1, "Select Cmap: "), 0,
+ wx.LEFT | wx.ADJUST_MINSIZE, 5)
+ sizer_selection.Add(self.cmap_selector, 0, wx.EXPAND | wx.ALL, 10)
+ sizer_main.Add(sizer_params, 0, wx.EXPAND | wx.ALL, 5)
+ sizer_main.Add(sizer_selection, 0, wx.EXPAND | wx.ALL, 5)
+ note = " Note: This is one time option. " + \
+ "It will be reset on updating the image."
+ note_txt = wx.StaticText(self, -1, note)
+ sizer_main.Add(note_txt, 0, wx.EXPAND | wx.ALL, 5)
+ sizer_main.Add(sizer_colormap, 1, wx.EXPAND | wx.ALL, 5)
+ sizer_main.Add(self.static_line_3, 0, wx.EXPAND, 0)
+ sizer_button.Add(self.button_reset, 0, wx.LEFT | wx.ADJUST_MINSIZE, 100)
+ sizer_button.Add(self.button_ok, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(self.button_cancel, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ sizer_main.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
+ self.SetAutoLayout(True)
+ self.SetSizer(sizer_main)
+ self.Layout()
+ self.Centre()
+ # end wxGlade
+
+ def _on_select_cmap(self, event):
+ """
+ display a new cmap
+ """
+ cmap_name = self.cmap_selector.GetCurrentSelection()
+ current_cmap = self.cmap_selector.GetClientData(cmap_name)
+ self.cmap = current_cmap
+ self.cb1 = mpl.colorbar.ColorbarBase(self.ax1, cmap=self.cmap,
+ norm=self.norm, orientation='horizontal')
+ self.canvas.draw()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/graphAppearance.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/graphAppearance.py
new file mode 100644
index 0000000..4a2db63
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/graphAppearance.py
@@ -0,0 +1,309 @@
+#!/usr/bin/python
+
+"""
+
+Dialog for general graph appearance
+
+This software was developed by Institut Laue-Langevin as part of
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE).
+
+Copyright 2012 Institut Laue-Langevin
+"""
+
+import wx
+from sas.sasgui.plottools.SimpleFont import SimpleFont
+
+COLOR = ['black', 'blue', 'green', 'red', 'cyan', 'magenta', 'yellow']
+
+
+class graphAppearance(wx.Frame):
+
+ def __init__(self, parent, title, legend=True):
+ super(graphAppearance, self).__init__(parent, title=title, size=(520, 435))
+
+ self.legend = legend
+
+ self.InitUI()
+ self.Centre()
+ self.Show()
+
+ self.xfont = None
+ self.yfont = None
+ self.is_xtick = False
+ self.is_ytick = False
+
+ def InitUI(self):
+
+ panel = wx.Panel(self)
+
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ hbox1 = wx.BoxSizer(wx.HORIZONTAL)
+ hbox2 = wx.BoxSizer(wx.HORIZONTAL)
+
+ xhbox1 = wx.BoxSizer(wx.HORIZONTAL)
+ xhbox2 = wx.BoxSizer(wx.HORIZONTAL)
+ yhbox1 = wx.BoxSizer(wx.HORIZONTAL)
+ yhbox2 = wx.BoxSizer(wx.HORIZONTAL)
+
+ if self.legend:
+ legendLocText = wx.StaticText(panel, label='Legend location: ')
+ self.legend_loc_combo = wx.ComboBox(panel, style=wx.CB_READONLY, size=(180, -1))
+ self.fillLegendLocs()
+ else:
+ self.legend_loc_combo = None
+
+ if self.legend:
+ self.toggle_legend = wx.CheckBox(panel, label='Toggle legend on/off')
+ else:
+ self.toggle_legend = None
+
+ self.toggle_grid = wx.CheckBox(panel, label='Toggle grid on/off')
+
+ xstatic_box = wx.StaticBox(panel, -1, 'x-axis label')
+ xstatic_box_sizer = wx.StaticBoxSizer(xstatic_box, wx.VERTICAL)
+ ystatic_box = wx.StaticBox(panel, -1, 'y-axis label')
+ ystatic_box_sizer = wx.StaticBoxSizer(ystatic_box, wx.VERTICAL)
+
+ xaxis_label = wx.StaticText(panel, label='X-axis: ')
+ yaxis_label = wx.StaticText(panel, label='Y-axis: ')
+ unitlabel_1 = wx.StaticText(panel, label='Units: ')
+ unitlabel_2 = wx.StaticText(panel, label='Units: ')
+
+ self.xaxis_text = wx.TextCtrl(panel, -1, "", size=(220, -1))
+ self.yaxis_text = wx.TextCtrl(panel, -1, "", size=(220, -1))
+
+ self.xaxis_unit_text = wx.TextCtrl(panel, -1, "", size=(100, -1))
+ self.yaxis_unit_text = wx.TextCtrl(panel, -1, "", size=(100, -1))
+
+ xcolorLabel = wx.StaticText(panel, label='Font color: ')
+ self.xfont_color = wx.ComboBox(panel, size=(100, -1), style=wx.CB_READONLY)
+ self.xfill_colors()
+ self.xfont_color.SetSelection(0)
+ xfont_button = wx.Button(panel, label='Font')
+ xfont_button.Bind(wx.EVT_BUTTON, self.on_x_font)
+
+ ycolorLabel = wx.StaticText(panel, label='Font color: ')
+ self.yfont_color = wx.ComboBox(panel, size=(100, -1), style=wx.CB_READONLY)
+ self.yfill_colors()
+ self.yfont_color.SetSelection(0)
+ yfont_button = wx.Button(panel, label='Font')
+ yfont_button.Bind(wx.EVT_BUTTON, self.on_y_font)
+
+ self.cancel_button = wx.Button(panel, label='Cancel')
+ self.ok_button = wx.Button(panel, label='OK')
+
+ self.cancel_button.Bind(wx.EVT_BUTTON, self.on_cancel)
+ self.ok_button.Bind(wx.EVT_BUTTON, self.on_ok)
+
+ xhbox1.Add(xaxis_label, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=10)
+ xhbox1.Add(self.xaxis_text, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=10)
+ xhbox1.Add(unitlabel_1, flag=wx.ALL | wx.EXPAND | wx.ALIGN_RIGHT, border=10)
+ xhbox1.Add(self.xaxis_unit_text, flag=wx.ALL | wx.EXPAND | wx.ALIGN_RIGHT, border=10)
+
+ yhbox1.Add(yaxis_label, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=10)
+ yhbox1.Add(self.yaxis_text, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=10)
+ yhbox1.Add(unitlabel_2, flag=wx.ALL | wx.EXPAND | wx.ALIGN_RIGHT, border=10)
+ yhbox1.Add(self.yaxis_unit_text, flag=wx.ALL | wx.EXPAND | wx.ALIGN_RIGHT, border=10)
+
+ xhbox2.Add(xcolorLabel, flag=wx.ALL | wx.ALIGN_RIGHT, border=10)
+ xhbox2.Add(self.xfont_color, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+ xhbox2.Add(xfont_button, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+
+ yhbox2.Add(ycolorLabel, flag=wx.ALL | wx.ALIGN_RIGHT, border=10)
+ yhbox2.Add(self.yfont_color, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+ yhbox2.Add(yfont_button, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+
+ if self.legend:
+ hbox1.Add(legendLocText, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=5)
+ hbox1.Add(self.legend_loc_combo, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=5)
+
+ if self.legend:
+ hbox1.Add((5, -1))
+ hbox1.Add(self.toggle_legend, flag=wx.ALL | wx.EXPAND | wx.ALIGN_LEFT, border=5)
+
+ hbox2.Add(self.ok_button, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+ hbox2.Add(self.cancel_button, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+ hbox2.Add((15, -1))
+
+ xstatic_box_sizer.Add(xhbox1, flag=wx.EXPAND, border=5)
+ xstatic_box_sizer.Add(xhbox2, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+ ystatic_box_sizer.Add(yhbox1, flag=wx.EXPAND, border=5)
+ ystatic_box_sizer.Add(yhbox2, flag=wx.ALL | wx.ALIGN_RIGHT, border=5)
+
+ vbox.Add((-1, 20))
+ vbox.Add(hbox1, flag=wx.EXPAND | wx.ALL, border=5)
+ vbox.Add(xstatic_box_sizer, flag=wx.ALL | wx.EXPAND, border=10)
+ vbox.Add(ystatic_box_sizer, flag=wx.ALL | wx.EXPAND, border=10)
+
+ vbox.Add(self.toggle_grid, flag=wx.ALIGN_RIGHT | wx.RIGHT, border=20)
+ vbox.Add(hbox2, flag=wx.ALIGN_RIGHT | wx.ALL, border=5)
+
+ panel.SetSizer(vbox)
+
+ def xfill_colors(self):
+ c_list = COLOR
+ for idx in range(len(c_list)):
+ self.xfont_color.Append(c_list[idx], idx)
+
+ def yfill_colors(self):
+ c_list = COLOR
+ for idx in range(len(c_list)):
+ self.yfont_color.Append(c_list[idx], idx)
+
+ def on_x_font(self, e):
+ title = 'Modify x axis font'
+
+ fonty = SimpleFont(self, wx.NewId(), title)
+ fonty.set_default_font(self.xfont)
+ fonty.set_ticklabel_check(self.is_xtick)
+ if fonty.ShowModal() == wx.ID_OK:
+ self.xfont = fonty.get_font()
+ self.is_xtick = fonty.get_ticklabel_check()
+
+ def on_y_font(self, e):
+ title = 'Modify y axis font'
+ fonty = SimpleFont(self, wx.NewId(), title)
+ fonty.set_default_font(self.yfont)
+ fonty.set_ticklabel_check(self.is_ytick)
+ if fonty.ShowModal() == wx.ID_OK:
+ self.yfont = fonty.get_font()
+ self.is_ytick = fonty.get_ticklabel_check()
+
+ def on_ok(self, e):
+ self.Close()
+
+ def on_cancel(self, e):
+ self.Destroy()
+
+
+ def get_loc_label(self):
+ """
+ Associates label to a specific legend location
+ """
+ _labels = {}
+ i = 0
+ _labels['best'] = i
+ i += 1
+ _labels['upper right'] = i
+ i += 1
+ _labels['upper left'] = i
+ i += 1
+ _labels['lower left'] = i
+ i += 1
+ _labels['lower right'] = i
+ i += 1
+ _labels['right'] = i
+ i += 1
+ _labels['center left'] = i
+ i += 1
+ _labels['center right'] = i
+ i += 1
+ _labels['lower center'] = i
+ i += 1
+ _labels['upper center'] = i
+ i += 1
+ _labels['center'] = i
+ return _labels
+
+
+ def fillLegendLocs(self):
+
+ # labels = []
+ # for label in self.get_loc_label():
+ # labels.append(str(label))
+
+ # for label in reversed(labels):
+ # self.legend_loc_combo.Append(label)
+ for label in self.get_loc_label():
+ self.legend_loc_combo.Append(label)
+
+
+ def setDefaults(self, grid, legend, xlab, ylab, xunit, yunit,
+ xaxis_font, yaxis_font, legend_loc,
+ xcolor, ycolor, is_xtick, is_ytick):
+ self.toggle_grid.SetValue(grid)
+ if self.legend:
+ self.toggle_legend.SetValue(legend)
+ self.xaxis_text.SetValue(xlab)
+ self.yaxis_text.SetValue(ylab)
+ self.xaxis_unit_text.SetValue(xunit)
+ self.yaxis_unit_text.SetValue(yunit)
+ self.xfont = xaxis_font
+ self.yfont = yaxis_font
+ self.is_xtick = is_xtick
+ self.is_ytick = is_ytick
+
+ if not xcolor:
+ self.xfont_color.SetSelection(0)
+ else:
+ self.xfont_color.SetStringSelection(xcolor)
+
+ if not ycolor:
+ self.yfont_color.SetSelection(0)
+ else:
+ self.yfont_color.SetStringSelection(ycolor)
+
+
+ if self.legend:
+ self.legend_loc_combo.SetStringSelection(legend_loc)
+
+
+ # get whether grid is toggled on/off
+ def get_togglegrid(self):
+ return self.toggle_grid.GetValue()
+
+ # get whether legend is toggled on/off
+ def get_togglelegend(self):
+ return self.toggle_legend.GetValue()
+
+ # get x label
+ def get_xlab(self):
+ return self.xaxis_text.GetValue()
+
+ # get y label
+ def get_ylab(self):
+ return self.yaxis_text.GetValue()
+
+ # get x unit
+ def get_xunit(self):
+ return self.xaxis_unit_text.GetValue()
+
+ # get y unit
+ def get_yunit(self):
+ return self.yaxis_unit_text.GetValue()
+
+ # get legend location
+ def get_legend_loc(self):
+ return self.get_loc_label()[self.legend_loc_combo.GetStringSelection()]
+
+ # get x axis label color
+ def get_xcolor(self):
+ return self.xfont_color.GetValue()
+
+ # get y axis label color
+ def get_ycolor(self):
+ return self.yfont_color.GetValue()
+
+ # get x axis font (type is FontProperties)
+ def get_xfont(self):
+ return self.xfont
+
+ # get y axis font
+ def get_yfont(self):
+ return self.yfont
+
+ def get_xtick_check(self):
+ return self.is_xtick
+
+ def get_ytick_check(self):
+ return self.is_ytick
+
+
+if __name__ == '__main__':
+
+ app = wx.App()
+ graphD = graphAppearance(None, title='Modify graph appearance')
+ app.MainLoop()
+
+
+
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/masking.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/masking.py
new file mode 100644
index 0000000..5b2f27d
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/masking.py
@@ -0,0 +1,741 @@
+"""
+ Mask editor
+"""
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# If you use DANSE applications to do scientific research that leads to
+# publication, we ask that you acknowledge the use of the software with the
+# following sentence:
+#
+# This work benefited from DANSE software developed under NSF award DMR-0520547.
+#
+# copyright 2008, University of Tennessee
+################################################################################
+
+
+# #Todo: cleaning up, improving the maskplotpanel initialization, and testing.
+import wx
+import sys
+import time
+import matplotlib.cm as cm
+import math
+import copy
+import numpy
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Graph
+from binder import BindArtist
+from sas.sasgui.guiframe.dataFitting import Data1D, Data2D
+from boxMask import BoxMask
+from sector_mask import SectorMask
+from AnnulusSlicer import CircularMask
+
+from sas.sasgui.guiframe.events import SlicerEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from functools import partial
+
+(InternalEvent, EVT_INTERNAL) = wx.lib.newevent.NewEvent()
+
+DEFAULT_CMAP = cm.get_cmap('jet')
+_BOX_WIDTH = 76
+_SCALE = 1e-6
+_STATICBOX_WIDTH = 380
+
+# SLD panel size
+if sys.platform.count("win32") > 0:
+ PANEL_SIZE = 350
+ FONT_VARIANT = 0
+else:
+ PANEL_SIZE = 300
+ FONT_VARIANT = 1
+
+from sas.sascalc.data_util.calcthread import CalcThread
+
+class CalcPlot(CalcThread):
+ """
+ Compute Resolution
+ """
+ def __init__(self,
+ id=-1,
+ panel=None,
+ image=None,
+ completefn=None,
+ updatefn=None,
+ elapsed=0,
+ yieldtime=0.01,
+ worktime=0.01):
+ """
+ """
+ CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime)
+ self.starttime = 0
+ self.id = id
+ self.panel = panel
+ self.image = image
+
+ def compute(self):
+ """
+ excuting computation
+ """
+ elapsed = time.time() - self.starttime
+
+ self.complete(panel=self.panel, image=self.image, elapsed=elapsed)
+
+
+class MaskPanel(wx.Dialog):
+ """
+ Provides the Mask Editor GUI.
+ """
+ # # Internal nickname for the window, used by the AUI manager
+ window_name = "Mask Editor"
+ # # Name to appear on the window title bar
+ window_caption = "Mask Editor"
+ # # Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+ def __init__(self, parent=None, base=None,
+ data=None, id=-1, *args, **kwds):
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ kwds["size"] = wx.Size(_STATICBOX_WIDTH * 0.8, PANEL_SIZE)
+ wx.Dialog.__init__(self, parent, id=id, *args, **kwds)
+
+ if data != None:
+ # Font size
+ kwds = []
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.SetTitle("Mask Editor for " + data.name)
+ self.parent = base
+ self.data = data
+ self.str = self.data.__str__()
+ # # mask for 2D
+ self.mask = data.mask
+ self.default_mask = copy.deepcopy(data.mask)
+ # # masked data from GUI
+ self.slicer_mask = None
+ self.slicer = None
+ self.slicer_z = 5
+ self.data.interactive = True
+ # # when 2 data have the same id override the 1 st plotted
+ self.name = self.data.name
+ # Panel for 2D plot
+ self.plotpanel = Maskplotpanel(self, -1,
+ style=wx.TRANSPARENT_WINDOW)
+ self.cmap = DEFAULT_CMAP
+ # # Create Artist and bind it
+ self.subplot = self.plotpanel.subplot
+ self.connect = BindArtist(self.subplot.figure)
+ self._setup_layout()
+ self.newplot = Data2D(image=self.data.data)
+ self.newplot.setValues(self.data)
+ self.plotpanel.add_image(self.newplot)
+ self._update_mask(self.mask)
+ self.Centre()
+ self.Layout()
+ # bind evt_close to _draw in fitpage
+ self.Bind(wx.EVT_CLOSE, self.OnClose)
+
+ def ShowMessage(self, msg=''):
+ """
+ Show error message when mask covers whole data area
+ """
+ mssg = 'Erase, redraw or clear the mask. \n\r'
+ mssg += 'The data range can not be completely masked... \n\r'
+ mssg += msg
+ wx.MessageBox(mssg, 'Error', wx.OK | wx.ICON_ERROR)
+
+ def _setup_layout(self):
+ """
+ Set up the layout
+ """
+ note = "Note: This masking applies\n only to %s." % self.data.name
+ note_txt = wx.StaticText(self, -1, note)
+ note_txt.SetForegroundColour(wx.RED)
+ shape = "Select a Shape for Masking:"
+ # panel
+ sizer = wx.GridBagSizer(10, 10)
+ #---------inputs----------------
+ shape_txt = wx.StaticText(self, -1, shape)
+ sizer.Add(shape_txt, (1, 1), flag=wx.TOP | wx.LEFT | wx.BOTTOM, border=5)
+ self.innersector_rb = wx.RadioButton(self, -1, "Double Wings")
+ self.Bind(wx.EVT_RADIOBUTTON, partial(self._on_mask, slicer=SectorMask, inside=True),
+ id=self.innersector_rb.GetId())
+ sizer.Add(self.innersector_rb, (2, 1),
+ flag=wx.RIGHT | wx.BOTTOM, border=5)
+ self.innercircle_rb = wx.RadioButton(self, -1, "Circular Disk")
+ self.Bind(wx.EVT_RADIOBUTTON, partial(self._on_mask, slicer=CircularMask, inside=True),
+ id=self.innercircle_rb.GetId())
+ sizer.Add(self.innercircle_rb, (3, 1),
+ flag=wx.RIGHT | wx.BOTTOM, border=5)
+ self.innerbox_rb = wx.RadioButton(self, -1, "Rectangular Disk")
+ self.Bind(wx.EVT_RADIOBUTTON, partial(self._on_mask, slicer=BoxMask, inside=True),
+ id=self.innerbox_rb.GetId())
+ sizer.Add(self.innerbox_rb, (4, 1), flag=wx.RIGHT | wx.BOTTOM, border=5)
+ self.outersector_rb = wx.RadioButton(self, -1, "Double Wing Window")
+ self.Bind(wx.EVT_RADIOBUTTON, partial(self._on_mask, slicer=SectorMask, inside=False),
+ id=self.outersector_rb.GetId())
+ sizer.Add(self.outersector_rb, (5, 1),
+ flag=wx.RIGHT | wx.BOTTOM, border=5)
+ self.outercircle_rb = wx.RadioButton(self, -1, "Circular Window")
+ self.Bind(wx.EVT_RADIOBUTTON, partial(self._on_mask, slicer=CircularMask, inside=False),
+ id=self.outercircle_rb.GetId())
+ sizer.Add(self.outercircle_rb, (6, 1),
+ flag=wx.RIGHT | wx.BOTTOM, border=5)
+ self.outerbox_rb = wx.RadioButton(self, -1, "Rectangular Window")
+ self.Bind(wx.EVT_RADIOBUTTON, partial(self._on_mask, slicer=BoxMask, inside=False),
+ id=self.outerbox_rb.GetId())
+ sizer.Add(self.outerbox_rb, (7, 1), flag=wx.RIGHT | wx.BOTTOM, border=5)
+ sizer.Add(note_txt, (8, 1), flag=wx.RIGHT | wx.BOTTOM, border=5)
+ self.innercircle_rb.SetValue(False)
+ self.outercircle_rb.SetValue(False)
+ self.innerbox_rb.SetValue(False)
+ self.outerbox_rb.SetValue(False)
+ self.innersector_rb.SetValue(False)
+ self.outersector_rb.SetValue(False)
+ sizer.Add(self.plotpanel, (0, 2), (13, 13),
+ wx.EXPAND | wx.LEFT | wx.RIGHT, 15)
+
+ #-----Buttons------------1
+ id_button = wx.NewId()
+ button_add = wx.Button(self, id_button, "Add")
+ button_add.SetToolTipString("Add the mask drawn.")
+ button_add.Bind(wx.EVT_BUTTON, self._on_add_mask, id=button_add.GetId())
+ sizer.Add(button_add, (13, 7))
+ id_button = wx.NewId()
+ button_erase = wx.Button(self, id_button, "Erase")
+ button_erase.SetToolTipString("Erase the mask drawn.")
+ button_erase.Bind(wx.EVT_BUTTON, self._on_erase_mask,
+ id=button_erase.GetId())
+ sizer.Add(button_erase, (13, 8))
+ id_button = wx.NewId()
+ button_reset = wx.Button(self, id_button, "Reset")
+ button_reset.SetToolTipString("Reset the mask.")
+ button_reset.Bind(wx.EVT_BUTTON, self._on_reset_mask,
+ id=button_reset.GetId())
+ sizer.Add(button_reset, (13, 9), flag=wx.RIGHT | wx.BOTTOM, border=15)
+ id_button = wx.NewId()
+ button_reset = wx.Button(self, id_button, "Clear")
+ button_reset.SetToolTipString("Clear all mask.")
+ button_reset.Bind(wx.EVT_BUTTON, self._on_clear_mask,
+ id=button_reset.GetId())
+ sizer.Add(button_reset, (13, 10), flag=wx.RIGHT | wx.BOTTOM, border=15)
+ sizer.AddGrowableCol(3)
+ sizer.AddGrowableRow(2)
+ self.SetSizerAndFit(sizer)
+ self.Centre()
+ self.Show(True)
+
+ def _on_mask(self, event=None, slicer=BoxMask, inside=True):
+ """
+ Draw a slicer and use it as mask
+ :param event: wx event
+ :param slicer: Slicer class to use
+ :param inside: whether we mask what's inside or outside the slicer
+ """
+ # get ready for next evt
+ event.Skip()
+ # from boxMask import BoxMask
+ if event != None:
+ self._on_clear_slicer(event)
+ self.slicer_z += 1
+ self.slicer = slicer(self, self.subplot,
+ zorder=self.slicer_z, side=inside)
+ self.subplot.set_ylim(self.data.ymin, self.data.ymax)
+ self.subplot.set_xlim(self.data.xmin, self.data.xmax)
+ self.update()
+ self.slicer_mask = self.slicer.update()
+
+ def _on_add_mask(self, event):
+ """
+ Add new mask to old mask
+ """
+ if not self.slicer == None:
+ data = Data2D()
+ data = self.data
+ self.slicer_mask = self.slicer.update()
+ data.mask = self.data.mask & self.slicer_mask
+ self._check_display_mask(data.mask, event)
+
+ def _check_display_mask(self, mask, event):
+ """
+ check if the mask valid and update the plot
+
+ :param mask: mask data
+ """
+ # # Redraw the current image
+ self._update_mask(mask)
+
+ def _on_erase_mask(self, event):
+ """
+ Erase new mask from old mask
+ """
+ if not self.slicer == None:
+ self.slicer_mask = self.slicer.update()
+ mask = self.data.mask
+ mask[self.slicer_mask == False] = True
+ self._check_display_mask(mask, event)
+
+ def _on_reset_mask(self, event):
+ """
+ Reset mask to the original mask
+ """
+ self.slicer_z += 1
+ self.slicer = BoxMask(self, self.subplot,
+ zorder=self.slicer_z, side=True)
+ self.subplot.set_ylim(self.data.ymin, self.data.ymax)
+ self.subplot.set_xlim(self.data.xmin, self.data.xmax)
+ mask = copy.deepcopy(self.default_mask)
+ self.data.mask = mask
+ # update mask plot
+ self._check_display_mask(mask, event)
+
+ def _on_clear_mask(self, event):
+ """
+ Clear mask
+ """
+ self.slicer_z += 1
+ self.slicer = BoxMask(self, self.subplot,
+ zorder=self.slicer_z, side=True)
+ self.subplot.set_ylim(self.data.ymin, self.data.ymax)
+ self.subplot.set_xlim(self.data.xmin, self.data.xmax)
+ mask = numpy.ones(len(self.data.mask), dtype=bool)
+ self.data.mask = mask
+ # update mask plot
+ self._check_display_mask(mask, event)
+
+ def _on_clear_slicer(self, event):
+ """
+ Clear the slicer on the plot
+ """
+ if not self.slicer == None:
+ self.slicer.clear()
+ self.subplot.figure.canvas.draw()
+ self.slicer = None
+
+ def update(self, draw=True):
+ """
+ Respond to changes in the model by recalculating the
+ profiles and resetting the widgets.
+ """
+ self.plotpanel.draw()
+
+ def _set_mask(self, mask):
+ """
+ Set mask
+ """
+ self.data.mask = mask
+
+ def set_plot_unfocus(self):
+ """
+ Not implemented
+ """
+ pass
+
+ def _update_mask(self, mask):
+ """
+ Respond to changes in masking
+ """
+ # the case of liitle numbers of True points
+ if len(mask[mask]) < 10 and self.data != None:
+ self.ShowMessage()
+ mask = copy.deepcopy(self.mask)
+ self.data.mask = mask
+ else:
+ self.mask = mask
+ # make temperary data to plot
+ temp_mask = numpy.zeros(len(mask))
+ temp_data = copy.deepcopy(self.data)
+ # temp_data default is None
+ # This method is to distinguish between masked point and data point = 0.
+ temp_mask = temp_mask / temp_mask
+ temp_mask[mask] = temp_data.data[mask]
+ # set temp_data value for self.mask==True, else still None
+ # temp_mask[mask] = temp_data[mask]
+
+ # TODO: refactor this horrible logic
+ temp_data.data[mask == False] = temp_mask[mask == False]
+ self.plotpanel.clear()
+ if self.slicer != None:
+ self.slicer.clear()
+ self.slicer = None
+ # Post slicer None event
+ event = self._getEmptySlicerEvent()
+ wx.PostEvent(self, event)
+
+ # #use this method
+ # set zmax and zmin to plot: Fix it w/ data.
+ if self.plotpanel.scale == 'log_{10}':
+ zmax = math.log10(max(self.data.data[self.data.data > 0]))
+ zmin = math.log10(min(self.data.data[self.data.data > 0]))
+ else:
+ zmax = max(self.data.data[self.data.data > 0])
+ zmin = min(self.data.data[self.data.data > 0])
+ # plot
+ self.plotpanel.image(data=temp_mask,
+ qx_data=self.data.qx_data,
+ qy_data=self.data.qy_data,
+ xmin=self.data.xmin,
+ xmax=self.data.xmax,
+ ymin=self.data.ymin,
+ ymax=self.data.ymax,
+ zmin=zmin,
+ zmax=zmax,
+ cmap=self.cmap,
+ color=0, symbol=0, label=self.data.name)
+ # axis labels
+ self.plotpanel.axes[0].set_xlabel('$\\rm{Q}_{x}(A^{-1})$')
+ self.plotpanel.axes[0].set_ylabel('$\\rm{Q}_{y}(A^{-1})$')
+ self.plotpanel.render()
+ self.plotpanel.subplot.figure.canvas.draw_idle()
+
+ def _getEmptySlicerEvent(self):
+ """
+ create an empty slicervent
+ """
+ self.innerbox_rb.SetValue(False)
+ self.outerbox_rb.SetValue(False)
+ self.innersector_rb.SetValue(False)
+ self.outersector_rb.SetValue(False)
+ self.innercircle_rb.SetValue(False)
+ self.outercircle_rb.SetValue(False)
+ return SlicerEvent(type=None,
+ params=None,
+ obj_class=None)
+
+ def _draw_model(self, event):
+ """
+ on_close, update the model2d plot
+ """
+ pass
+
+ def freeze_axes(self):
+ """
+ freeze axes
+ """
+ self.plotpanel.axes_frozen = True
+
+ def thaw_axes(self):
+ """
+ thaw axes
+ """
+ self.plotpanel.axes_frozen = False
+
+ def onMouseMotion(self, event):
+ """
+ onMotion event
+ """
+ pass
+
+ def onWheel(self, event):
+ """
+ on wheel event
+ """
+ pass
+
+ def OnClose(self, event):
+ """
+ Processing close event
+ """
+ try:
+ self.parent._draw_masked_model(event)
+ except:
+ # when called by data panel
+ event.Skip()
+ pass
+
+class FloatPanel(wx.Dialog):
+ """
+ Provides the Mask Editor GUI.
+ """
+ # # Internal nickname for the window, used by the AUI manager
+ window_name = "Plot"
+ # # Name to appear on the window title bar
+ window_caption = "Plot"
+ # # Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = False
+ ID = wx.NewId()
+ def __init__(self, parent=None, base=None,
+ data=None, dimension=1, id=ID, *args, **kwds):
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ kwds["size"] = wx.Size(PANEL_SIZE * 1.5, PANEL_SIZE * 1.5)
+ wx.Dialog.__init__(self, parent, id=id, *args, **kwds)
+
+ if data != None:
+ # Font size
+ kwds = []
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.SetTitle("Plot " + data.name)
+ self.parent = base
+ self.data = data
+ self.str = self.data.__str__()
+ # # when 2 data have the same id override the 1 st plotted
+ self.name = self.data.name
+ self.dimension = dimension
+ # Panel for 2D plot
+ self.plotpanel = Maskplotpanel(self, -1, dimension,
+ style=wx.TRANSPARENT_WINDOW)
+ self.plotpanel._SetInitialSize()
+ self.plotpanel.prevXtrans = "x"
+ self.plotpanel.prevYtrans = "y"
+
+ self.cmap = DEFAULT_CMAP
+ # # Create Artist and bind it
+ self.subplot = self.plotpanel.subplot
+ self._setup_layout()
+ if self.dimension == 1:
+ self.newplot = Data1D(x=data.x, y=data.y,
+ dx=data.dx, dy=data.dy)
+ self.newplot.name = data.name
+ else:
+ self.newplot = Data2D(image=self.data.data)
+ self.newplot.setValues(self.data)
+ # Compute and get the image plot
+ self.get_plot()
+ # self.plotpanel.add_image(self.newplot)
+ self.Centre()
+ self.Layout()
+
+ def get_plot(self):
+ """
+ Get Plot panel
+ """
+ cal_plot = CalcPlot(panel=self.plotpanel,
+ image=self.newplot,
+ completefn=self.complete)
+ cal_plot.queue()
+
+ def complete(self, panel, image, elapsed=None):
+ """
+ Plot image
+
+ :param image: newplot [plotpanel]
+ """
+ wx.CallAfter(panel.add_image, image)
+
+ def _setup_layout(self):
+ """
+ Set up the layout
+ """
+ # panel
+ sizer = wx.GridBagSizer(10, 10)
+ if self.dimension == 3:
+ note = "Note: I am very SLOW. Please be PATIENT...\n"
+ if len(self.data.data) > 3600:
+ note += "Rotation disabled for pixels > 60x60."
+ note_txt = wx.StaticText(self, -1, note)
+ note_txt.SetForegroundColour(wx.RED)
+ sizer.Add(note_txt, (0, 2), flag=wx.RIGHT | wx.TOP, border=5)
+
+ sizer.Add(self.plotpanel, (1, 0), (9, 9),
+ wx.EXPAND | wx.ALL, 15)
+
+ sizer.AddGrowableCol(3)
+ sizer.AddGrowableRow(2)
+
+ self.SetSizerAndFit(sizer)
+ self.Centre()
+ self.Show(True)
+
+ def set_plot_unfocus(self):
+ """
+ Not implemented
+ """
+ pass
+
+ def _draw_model(self, event):
+ """
+ on_close, update the model2d plot
+ """
+ pass
+
+ def freeze_axes(self):
+ """
+ freeze axes
+ """
+ self.plotpanel.axes_frozen = True
+
+ def thaw_axes(self):
+ """
+ thaw axes
+ """
+ self.plotpanel.axes_frozen = False
+
+ def OnClose(self, event):
+ """
+ """
+ try:
+ self.plotpanel.subplot.figure.clf()
+ self.plotpanel.Close()
+ except:
+ # when called by data panel
+ event.Skip()
+ pass
+
+class Maskplotpanel(PlotPanel):
+ """
+ PlotPanel for Quick plot and masking plot
+ """
+ def __init__(self, parent, id=-1, dimension=2, color=None, dpi=None, **kwargs):
+ """
+ """
+ PlotPanel.__init__(self, parent, id=id, color=color, dpi=dpi, **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.dimension = dimension
+ self.plots = {}
+ self.graph = Graph()
+ # add axis labels
+ self.graph.xaxis('\\rm{x} ', '')
+ self.graph.yaxis('\\rm{y} ', '')
+
+ def add_toolbar(self):
+ """
+ Add toolbar
+ """
+ # Not implemented
+ pass
+
+ def on_set_focus(self, event):
+ """
+ send to the parenet the current panel on focus
+ """
+ if self.dimension == 3:
+ pass
+ else:
+ self.draw()
+
+ def add_image(self, plot):
+ """
+ Add Image
+ """
+ self.plots[plot.name] = plot
+ # init graph
+ self.graph = Graph()
+ # add plot
+ self.graph.add(plot)
+ # add axes
+ if self.dimension == 1:
+ self.xaxis_label = '\\rm{x} '
+ self.xaxis_unit = ''
+ self.yaxis_label = '\\rm{y} '
+ self.yaxis_unit = ''
+ # draw
+ # message
+ status_type = 'progress'
+ msg = 'Plotting...'
+ self._status_info(msg, status_type)
+ status_type = 'stop'
+ self.graph.render(self)
+ self.subplot.figure.canvas.resizing = False
+ if self.dimension < 3:
+ self.graph.render(self)
+ self.subplot.figure.canvas.draw()
+ elif FONT_VARIANT:
+ self.subplot.figure.canvas.draw()
+ msg = 'Plotting Completed.'
+ self._status_info(msg, status_type)
+
+ def onMouseMotion(self, event):
+ """
+ Disable dragging 2D image
+ """
+ pass
+
+ def onWheel(self, event):
+ """
+ """
+ pass
+
+ def onLeftDown(self, event):
+ """
+ Disables LeftDown
+ """
+ pass
+
+ def onPick(self, event):
+ """
+ Disables OnPick
+ """
+ pass
+
+ def draw(self):
+ """
+ Draw
+ """
+ # message
+ status_type = 'progress'
+ msg = 'Plotting...'
+ self._status_info(msg, status_type)
+ status_type = 'stop'
+
+ if not self.dimension == 3:
+ self.subplot.figure.canvas.draw_idle()
+
+ msg = 'Plotting Completed.'
+ self._status_info(msg, status_type)
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ # Selective Slicer plot popup menu
+ slicerpop = wx.Menu()
+
+ id = wx.NewId()
+ slicerpop.Append(id, '&Print Image', 'Print image')
+ wx.EVT_MENU(self, id, self.onPrint)
+
+ id = wx.NewId()
+ slicerpop.Append(id, '&Copy to Clipboard', 'Copy to the clipboard')
+ wx.EVT_MENU(self, id, self.OnCopyFigureMenu)
+
+ if self.dimension == 1:
+ id = wx.NewId()
+ slicerpop.Append(id, '&Change Scale')
+ wx.EVT_MENU(self, id, self._onProperties)
+ else:
+ slicerpop.AppendSeparator()
+ id_cm = wx.NewId()
+ slicerpop.Append(id_cm, '&Toggle Linear/Log scale')
+ wx.EVT_MENU(self, id_cm, self._onToggleScale)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+
+ def _status_info(self, msg='', type="update"):
+ """
+ Status msg
+ """
+ if self.parent.parent.parent != None:
+ wx.PostEvent(self.parent.parent.parent,
+ StatusEvent(status=msg, type=type))
+
+class ViewerFrame(wx.Frame):
+ """
+ Add comment
+ """
+ def __init__(self, parent, id, title):
+ """
+ comment
+ :param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title,
+ wx.DefaultPosition, wx.Size(950, 850))
+ # Panel for 1D plot
+ self.plotpanel = Maskplotpanel(self, -1, style=wx.RAISED_BORDER)
+
+class ViewApp(wx.App):
+ def OnInit(self):
+ frame = ViewerFrame(None, -1, 'testView')
+ frame.Show(True)
+ # self.SetTopWindow(frame)
+
+ return True
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/plotting.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/plotting.py
new file mode 100644
index 0000000..7cad09a
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/plotting.py
@@ -0,0 +1,333 @@
+
+
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2008, University of Tennessee
+################################################################################
+
+import wx
+import sys
+from sas.sasgui.guiframe.events import EVT_NEW_PLOT
+from sas.sasgui.guiframe.events import EVT_PLOT_QRANGE
+from sas.sasgui.guiframe.events import EVT_PLOT_LIM
+from sas.sasgui.guiframe.events import DeletePlotPanelEvent
+from sas.sasgui.guiframe.plugin_base import PluginBase
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.dataFitting import Data2D
+from sas.sasgui.guiframe.gui_manager import MDIFrame
+DEFAULT_MENU_ITEM_LABEL = "No graph available"
+DEFAULT_MENU_ITEM_ID = wx.NewId()
+
+IS_WIN = True
+if sys.platform.count("win32") == 0:
+ if int(str(wx.__version__).split('.')[0]) == 2:
+ if int(str(wx.__version__).split('.')[1]) < 9:
+ IS_WIN = False
+
+
+class Plugin(PluginBase):
+ """
+ Plug-in class to be instantiated by the GUI manager
+ """
+
+ def __init__(self):
+ PluginBase.__init__(self, name="Plotting")
+
+ ## Plot panels
+ self.plot_panels = {}
+ self._panel_on_focus = None
+ self.menu_default_id = None
+ # Plot menu
+ self.menu = None
+
+
+ def set_panel_on_focus(self, panel):
+ """
+ """
+ self._panel_on_focus = panel
+
+ def is_always_active(self):
+ """
+ return True is this plugin is always active even if the user is
+ switching between perspectives
+ """
+ return True
+
+ def populate_menu(self, parent):
+ """
+ Create a 'Plot' menu to list the panels
+ available for displaying
+
+ :param id: next available unique ID for wx events
+ :param parent: parent window
+
+ """
+ return []
+
+ def get_panels(self, parent):
+ """
+ Create and return a list of panel objects
+ """
+ ## Save a reference to the parent
+ self.parent = parent
+ # Connect to plotting events
+ self.parent.Bind(EVT_NEW_PLOT, self._on_plot_event)
+ self.parent.Bind(EVT_PLOT_QRANGE, self._on_plot_qrange)
+ self.parent.Bind(EVT_PLOT_LIM, self._on_plot_lim)
+ # We have no initial panels for this plug-in
+ return []
+
+ def _on_plot_qrange(self, event=None):
+ """
+ On Qmin Qmax vertical line event
+ """
+ if event == None:
+ return
+ if event.id in self.plot_panels.keys():
+ panel = self.plot_panels[event.id]
+ elif event.group_id in self.plot_panels.keys():
+ panel = self.plot_panels[event.group_id]
+ else:
+ return
+ panel.on_plot_qrange(event)
+
+ def _on_plot_lim(self, event=None):
+ if event == None:
+ return
+ if event.id in self.plot_panels.keys():
+ panel = self.plot_panels[event.id]
+ elif event.group_id in self.plot_panels.keys():
+ panel = self.plot_panels[event.group_id]
+ else:
+ return
+ if hasattr(event, 'xlim'):
+ panel.subplot.set_xlim(event.xlim)
+ if hasattr(event, 'ylim'):
+ panel.subplot.set_ylim(event.ylim)
+
+
+ def _on_show_panel(self, event):
+ """show plug-in panel"""
+ pass
+
+ def remove_plot(self, group_id, id):
+ """
+ remove plot of ID = id from a panel of group ID =group_id
+ """
+
+ if group_id in self.plot_panels.keys():
+ panel = self.plot_panels[group_id]
+ panel.remove_data_by_id(id=id)
+
+ return True
+ return False
+
+ def clear_panel(self):
+ """
+ Clear and Hide all plot panels, and remove them from menu
+ """
+ for group_id in self.plot_panels.keys():
+ self.clear_panel_by_id(group_id)
+ self.plot_panels = {}
+
+ def clear_panel_by_id(self, group_id):
+ """
+ clear the graph
+ """
+ if group_id in self.plot_panels.keys():
+ panel = self.plot_panels[group_id]
+ for plottable in panel.graph.plottables.keys():
+ self.remove_plot(group_id, plottable.id)
+ panel.graph.reset()
+ return True
+ return False
+
+ def hide_panel(self, group_id):
+ """
+ hide panel with group ID = group_id
+ """
+ # Not implemeted
+ return False
+
+ def create_panel_helper(self, new_panel, data, group_id, title=None):
+ """
+ """
+ ## Set group ID if available
+ ## Assign data properties to the new create panel
+ new_panel.set_manager(self)
+ new_panel.group_id = group_id
+ if group_id not in data.list_group_id:
+ data.list_group_id.append(group_id)
+ if title is None:
+ title = data.title
+ new_panel.window_caption = title
+ new_panel.window_name = data.title
+ event_id = self.parent.popup_panel(new_panel)
+
+ # Set UID to allow us to reference the panel later
+ new_panel.uid = event_id
+ # Ship the plottable to its panel
+ wx.CallAfter(new_panel.plot_data, data)
+ #new_panel.canvas.set_resizing(new_panel.resizing)
+ self.plot_panels[new_panel.group_id] = new_panel
+
+ def create_1d_panel(self, data, group_id):
+ """
+ """
+ # Create a new plot panel if none was available
+ if issubclass(data.__class__, Data1D):
+ from Plotter1D import ModelPanel1D
+ ## get the data representation label of the data to plot
+ ## when even the user select "change scale"
+ xtransform = data.xtransform
+ ytransform = data.ytransform
+ ## create a plotpanel for 1D Data
+ win = MDIFrame(self.parent, None, 'None', (100, 200))
+ new_panel = ModelPanel1D(win, -1, xtransform=xtransform,
+ ytransform=ytransform, style=wx.RAISED_BORDER)
+ win.set_panel(new_panel)
+ win.Show(False)
+ new_panel.frame = win
+ #win.Show(True)
+ return new_panel
+
+ msg = "1D Panel of group ID %s could not be created" % str(group_id)
+ raise ValueError, msg
+
+ def create_2d_panel(self, data, group_id):
+ """
+ """
+ if issubclass(data.__class__, Data2D):
+ ##Create a new plotpanel for 2D data
+ from Plotter2D import ModelPanel2D
+ scale = data.scale
+ win = MDIFrame(self.parent, None, 'None', (200, 150))
+ win.Show(False)
+ new_panel = ModelPanel2D(win, id=-1,
+ data2d=data, scale=scale,
+ style=wx.RAISED_BORDER)
+ win.set_panel(new_panel)
+ new_panel.frame = win
+ return new_panel
+ msg = "2D Panel of group ID %s could not be created" % str(group_id)
+ raise ValueError, msg
+
+ def update_panel(self, data, panel):
+ """
+ update the graph of a given panel
+ """
+ # Check whether we already have a graph with the same units
+ # as the plottable we just received.
+ _, x_unit = data.get_xaxis()
+ _, y_unit = data.get_yaxis()
+ flag_x = (panel.graph.prop["xunit"] is not None) and \
+ (panel.graph.prop["xunit"].strip() != "") and\
+ (x_unit != panel.graph.prop["xunit"]) and False
+ flag_y = (panel.graph.prop["yunit"] is not None) and \
+ (panel.graph.prop["yunit"].strip() != "") and\
+ (y_unit != panel.graph.prop["yunit"]) and False
+ if flag_x and flag_y:
+ msg = "Cannot add %s" % str(data.name)
+ msg += " to panel %s\n" % str(panel.window_caption)
+ msg += "Please edit %s's units, labels" % str(data.name)
+ raise ValueError, msg
+ else:
+ if panel.group_id not in data.list_group_id:
+ data.list_group_id.append(panel.group_id)
+ wx.CallAfter(panel.plot_data, data)
+
+ def delete_panel(self, group_id):
+ """
+ """
+ if group_id in self.plot_panels.keys():
+ panel = self.plot_panels[group_id]
+ uid = panel.uid
+ wx.PostEvent(self.parent,
+ DeletePlotPanelEvent(name=panel.window_caption,
+ caption=panel.window_caption))
+ del self.plot_panels[group_id]
+ if uid in self.parent.plot_panels.keys():
+ del self.parent.plot_panels[uid]
+ panel.frame.Destroy()
+ return True
+
+ return False
+
+ def _on_plot_event(self, event):
+ """
+ A new plottable is being shipped to the plotting plug-in.
+ Check whether we have a panel to put in on, or create
+ a new one
+
+ :param event: EVT_NEW_PLOT event
+
+ """
+ action_check = False
+ if hasattr(event, 'action'):
+ action_string = event.action.lower().strip()
+ if action_string == 'check':
+ action_check = True
+ else:
+ group_id = event.group_id
+ if group_id in self.plot_panels.keys():
+ #remove data from panel
+ if action_string == 'remove':
+ return self.remove_plot(group_id, event.id)
+ if action_string == 'hide':
+ return self.hide_panel(group_id)
+ if action_string == 'delete':
+ panel = self.plot_panels[group_id]
+ uid = panel.uid
+ return self.parent.delete_panel(uid)
+ if action_string == "clear":
+ return self.clear_panel_by_id(group_id)
+
+ if not hasattr(event, 'plot'):
+ return
+ title = None
+ if hasattr(event, 'title'):
+ title = 'Graph' #event.title
+ data = event.plot
+ group_id = data.group_id
+ if group_id in self.plot_panels.keys():
+ if action_check:
+ # Check if the plot already exist. if it does, do nothing.
+ if data.id in self.plot_panels[group_id].plots.keys():
+ return
+ #update a panel graph
+ panel = self.plot_panels[group_id]
+ self.update_panel(data, panel)
+ else:
+ #create a new panel
+ if issubclass(data.__class__, Data1D):
+ new_panel = self.create_1d_panel(data, group_id)
+ else:
+ # Need to make the group_id consistent with 1D thus no if below
+ if len(self.plot_panels.values()) > 0:
+ for p_group_id in self.plot_panels.keys():
+ p_plot = self.plot_panels[p_group_id]
+ if data.id in p_plot.plots.keys():
+ p_plot.plots[data.id] = data
+ self.plot_panels[group_id] = p_plot
+ if group_id != p_group_id:
+ del self.plot_panels[p_group_id]
+ if p_group_id in data.list_group_id:
+ data.list_group_id.remove(p_group_id)
+ if group_id not in data.list_group_id:
+ data.list_group_id.append(group_id)
+ p_plot.group_id = group_id
+ return
+
+ new_panel = self.create_2d_panel(data, group_id)
+ self.create_panel_helper(new_panel, data, group_id, title)
+ if hasattr(event, 'xlim'):
+ new_panel.subplot.set_xlim(event.xlim)
+ if hasattr(event, 'ylim'):
+ new_panel.subplot.set_ylim(event.ylim)
+ return
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/profile_dialog.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/profile_dialog.py
new file mode 100644
index 0000000..43aa9dd
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/profile_dialog.py
@@ -0,0 +1,316 @@
+"""
+SLD Profile Dialog for multifunctional models
+"""
+import wx
+import sys
+from copy import deepcopy
+from sas.sasgui.plottools.plottables import Graph
+from Plotter1D import ModelPanel1D as PlotPanel
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+
+DEFAULT_CMAP = None #pylab.cm.jet
+_BOX_WIDTH = 76
+_STATICBOX_WIDTH = 400
+# X Y offset on plot
+_X_OFF = 15
+_Y_OFF = 0.5
+
+#SLD panel size
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 563
+ PANEL_SIZE = 425
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 605
+ PANEL_SIZE = 500
+ FONT_VARIANT = 1
+
+
+class SLDPanel(wx.Dialog):
+ """
+ Provides the SLD profile plot panel.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Scattering Length Density Profile"
+ ## Name to appear on the window title bar
+ window_caption = "Scattering Length Density Profile"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+ def __init__(self, parent=None, base=None, data=None, axes=['Radius'],
+ id=-1, *args, **kwds):
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ kwds["size"] = wx.Size(_STATICBOX_WIDTH, PANEL_SIZE)
+ wx.Dialog.__init__(self, parent, id=id, *args, **kwds)
+
+ if data != None:
+ #Font size
+ kwds = []
+ self.SetWindowVariant(variant=FONT_VARIANT)
+
+ self.SetTitle("Scattering Length Density Profile")
+ self.parent = parent
+ self._mgr = None
+ self.data = data
+ self.str = self.data.__str__()
+ ## when 2 data have the same id override the 1 st plotted
+ self.name = self.data.name
+ # Panel for plot
+ self.plotpanel = SLDplotpanel(self, axes, -1,
+ style=wx.TRANSPARENT_WINDOW)
+ self.cmap = DEFAULT_CMAP
+ ## Create Artist and bind it
+ self.subplot = self.plotpanel.subplot
+ # layout
+ self._setup_layout()
+
+ # plot
+ data_plot = deepcopy(self.data)
+ data_plot.dy = self._set_dy_data()
+ # unit increase to M times for users
+ data_plot.y = self._set_y_data()
+
+ self.newplot = Data1D(data_plot.x, data_plot.y, data_plot.dy)
+ self.newplot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ self.newplot.dy = None
+ self.newplot.name = 'SLD'
+ self.newplot.is_data = False
+
+ self.newplot.id = self.newplot.name
+ self.plotpanel.add_image(self.newplot)
+
+ self.plotpanel.resizing = False
+ self.plotpanel.canvas.set_resizing(self.plotpanel.resizing)
+
+ self.plotpanel.subplot.set_ylim(min(data_plot.y) - _Y_OFF,
+ max(data_plot.y) + _Y_OFF)
+ self.plotpanel.subplot.set_xlim(min(data_plot.x) - _X_OFF,
+ max(data_plot.x) + _X_OFF)
+ self.plotpanel.graph.render(self.plotpanel)
+ self.plotpanel.canvas.draw()
+
+ def _set_dy_data(self):
+ """
+ make fake dy data
+
+ :return dy:
+ """
+ # set dy as zero
+ dy = [0 for y in self.data.y]
+ return dy
+
+ def _set_y_data(self):
+ """
+ make y data unit Mega times
+
+ :return y_value:
+ """
+ # changes the unit
+ y_value = [yvalue * 1e+006 for yvalue in self.data.y]
+
+ return y_value
+
+ def _setup_layout(self):
+ """
+ Set up the layout
+ """
+ # panel sizer
+ sizer = wx.BoxSizer(wx.VERTICAL)
+ sizer.Add(self.plotpanel, 0, wx.LEFT | wx.RIGHT, 5)
+ sizer.Add(wx.StaticLine(self), 0, wx.ALL | wx.EXPAND, 5)
+ sizer.Add((0, 5))
+ #-----Button------------1
+ button_reset = wx.Button(self, wx.NewId(), "Close")
+ button_reset.SetToolTipString("Close...")
+ button_reset.Bind(wx.EVT_BUTTON, self._close,
+ id=button_reset.GetId())
+ sizer.Add(button_reset, 0, wx.LEFT, _STATICBOX_WIDTH - 80)
+ sizer.Add((0, 10))
+ self.SetSizerAndFit(sizer)
+ self.Centre()
+ self.Show(True)
+ button_reset.SetFocus()
+
+ def _close(self, event):
+ """
+ Close the dialog
+ """
+ self.Close(True)
+
+ def _draw_model(self, event):
+ """
+ on_close, update the model2d plot
+ """
+ pass
+
+ def get_current_context_menu(self, graph=None):
+ """
+ When the context menu of a plot is rendered, the
+ get_context_menu method will be called to give you a
+ chance to add a menu item to the context menu.
+ :param graph: the Graph object to which we attach the context menu
+
+ :return: a list of menu items with call-back function
+ """
+ return []
+
+ def set_schedule_full_draw(self, panel=None, func=None):
+ """
+ Set_schedule for full draw
+ """
+ # Not implemented
+ pass
+
+ def set_schedule(self, schedule=False):
+ """
+ Set schedule for redraw
+ """
+ # Not implemented
+ pass
+
+ def set_plot_unfocus(self):
+ """
+ Set_plot unfocus
+ """
+ # NOt implemented
+ pass
+
+ def on_change_caption(self, name, old_caption, new_caption):
+ """
+ """
+ self.parent.parent.parent.on_change_caption(name, old_caption, new_caption)
+
+ def disable_app_menu(self, panel):
+ """
+ Disable menu bar
+ """
+ # Not implemented!
+ return
+
+ def show_data1d(self, data, name):
+ """
+ Show data dialog
+ """
+ self.parent._manager.parent.show_data1d(data, name)
+
+class SLDplotpanel(PlotPanel):
+ """
+ Panel
+ """
+ def __init__(self, parent, axes=[], id=-1, color=None, dpi=None, **kwargs):
+ """
+ """
+ PlotPanel.__init__(self, parent, id=id, xtransform='x', ytransform='y',
+ color=color, dpi=dpi,
+ size=(_STATICBOX_WIDTH, PANEL_SIZE - 100), **kwargs)
+
+ # Keep track of the parent Frame
+ self.parent = parent
+ self.window_name = "Scattering Length Density Profile"
+ self.window_caption = self.window_name
+ self.prevXtrans = "x"
+ self.prevYtrans = "y"
+ self.viewModel = "--"
+ # Internal list of plottable names (because graph
+ # doesn't have a dictionary of handles for the plottables)
+ self.plots = {}
+ self.graph = Graph()
+ self.axes_label = []
+ for idx in range(0, len(axes)):
+ self.axes_label.append(axes[idx])
+ self.xaxis_label = ''
+ self.xaxis_unit = ''
+ self.yaxis_label = ''
+ self.yaxis_unit = ''
+ self.resizing = True
+ self.xcolor = 'black'
+ self.ycolor = 'black'
+
+ def add_image(self, plot):
+ """
+ Add image(Theory1D)
+ """
+ self.plots[plot.id] = plot
+ self.plots[plot.id].is_data = True
+ #add plot
+ self.graph.add(plot)
+ #add axes
+ x1_label = self.axes_label[0]
+ self.xaxis_label = '\\rm{%s} ' % x1_label
+ self.xaxis_unit = 'A'
+ self.graph.xaxis(self.xaxis_label, self.xaxis_unit)
+ self.yaxis_label = '\\rm{SLD} '
+ self.yaxis_unit = '10^{-6}A^{-2}'
+ self.graph.yaxis(self.yaxis_label, self.yaxis_unit)
+ # For latter scale changes
+ self.plots[plot.id].xaxis('\\rm{%s} ' % x1_label, 'A')
+ self.plots[plot.id].yaxis('\\rm{SLD} ', '10^{-6}A^{-2}')
+
+ def on_set_focus(self, event):
+ """
+ send to the parenet the current panel on focus
+
+ """
+ #Not implemented
+ pass
+
+ def on_kill_focus(self, event):
+ """
+ reset the panel color
+
+ """
+ #Not implemented
+ pass
+
+ def onChangeCaption(self, event):
+ """
+ Not implemented
+ """
+ pass
+
+ def _onSave(self, evt):
+ """
+ Save a data set to a text file
+
+ :param evt: Menu event
+
+ """
+ menu = evt.GetEventObject()
+ event_id = evt.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ data = self.plots[self.graph.selected_plottable]
+ default_name = data.label
+ if default_name.count('.') > 0:
+ default_name = default_name.split('.')[0]
+ default_name += "_out"
+ if self.parent != None:
+ # What an ancestor!
+ fit_panel = self.parent.parent.parent
+ fit_panel._manager.parent.save_data1d(data, default_name)
+
+class ViewerFrame(wx.Frame):
+ """
+ Add comment
+ """
+ def __init__(self, parent, id, title):
+ """
+ comment
+ :param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title, wx.DefaultPosition,
+ wx.Size(_STATICBOX_WIDTH, PANEL_SIZE))
+ # Panel for 1D plot
+ self.plotpanel = SLDplotpanel(self, -1, style=wx.RAISED_BORDER)
+
+class ViewApp(wx.App):
+ def OnInit(self):
+ frame = ViewerFrame(None, -1, 'testView')
+ frame.Show(True)
+ self.SetTopWindow(frame)
+
+ return True
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/sector_mask.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/sector_mask.py
new file mode 100644
index 0000000..f606a64
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/sector_mask.py
@@ -0,0 +1,216 @@
+"""
+ Sector mask interactor
+"""
+import math
+import wx
+#from copy import deepcopy
+from BaseInteractor import _BaseInteractor
+from SectorSlicer import SideInteractor
+from SectorSlicer import LineInteractor
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+
+class SectorMask(_BaseInteractor):
+ """
+ Draw a sector slicer.Allow to find the data 2D inside of the sector lines
+ """
+ def __init__(self, base, axes, color='gray', zorder=3, side=False):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ ## Class initialization
+ self.markers = []
+ self.axes = axes
+ self.is_inside = side
+ ## connect the plot to event
+ self.connect = self.base.connect
+
+ ## compute qmax limit to reset the graph
+ x = math.pow(max(self.base.data.xmax,
+ math.fabs(self.base.data.xmin)), 2)
+ y = math.pow(max(self.base.data.ymax,
+ math.fabs(self.base.data.ymin)), 2)
+ self.qmax = math.sqrt(x + y)
+ ## Number of points on the plot
+ self.nbins = 20
+ ## Angle of the middle line
+ self.theta2 = math.pi / 3
+ ## Absolute value of the Angle between the middle line and any side line
+ self.phi = math.pi / 12
+
+ ## Middle line
+ self.main_line = LineInteractor(self, self.base.subplot, color='blue',
+ zorder=zorder, r=self.qmax, theta=self.theta2)
+ self.main_line.qmax = self.qmax
+ ## Right Side line
+ self.right_line = SideInteractor(self, self.base.subplot, color='gray',
+ zorder=zorder, r=self.qmax, phi=-1 * self.phi,
+ theta2=self.theta2)
+ self.right_line.qmax = self.qmax
+ ## Left Side line
+ self.left_line = SideInteractor(self, self.base.subplot, color='gray',
+ zorder=zorder, r=self.qmax, phi=self.phi,
+ theta2=self.theta2)
+ self.left_line.qmax = self.qmax
+ ## draw the sector
+ self.update()
+ self._post_data()
+
+ def clear(self):
+ """
+ Clear the slicer and all connected events related to this slicer
+ """
+ self.clear_markers()
+ self.main_line.clear()
+ self.left_line.clear()
+ self.right_line.clear()
+ self.base.connect.clearall()
+
+ def update(self):
+ """
+ Respond to changes in the model by recalculating the profiles and
+ resetting the widgets.
+ """
+ # Update locations
+ ## Check if the middle line was dragged and
+ #update the picture accordingly
+ if self.main_line.has_move:
+ self.main_line.update()
+ self.right_line.update(delta=-self.left_line.phi / 2,
+ mline=self.main_line.theta)
+ self.left_line.update(delta=self.left_line.phi / 2,
+ mline=self.main_line.theta)
+ ## Check if the left side has moved and update the slicer accordingly
+ if self.left_line.has_move:
+ self.main_line.update()
+ self.left_line.update(phi=None, delta=None, mline=self.main_line,
+ side=True, left=True)
+ self.right_line.update(phi=self.left_line.phi, delta=None,
+ mline=self.main_line, side=True,
+ left=False, right=True)
+ ## Check if the right side line has moved and
+ #update the slicer accordingly
+ if self.right_line.has_move:
+ self.main_line.update()
+ self.right_line.update(phi=None, delta=None, mline=self.main_line,
+ side=True, left=False, right=True)
+ self.left_line.update(phi=self.right_line.phi, delta=None,
+ mline=self.main_line, side=True, left=False)
+ #if self.is_inside != None:
+ out = self._post_data()
+ return out
+
+ def save(self, ev):
+ """
+ Remember the roughness for this layer and the next so that we
+ can restore on Esc.
+ """
+ self.base.freeze_axes()
+ self.main_line.save(ev)
+ self.right_line.save(ev)
+ self.left_line.save(ev)
+
+ def _post_data(self):
+ """
+ compute sector averaging of data into data1D
+ """
+ ## get the data to average
+ data = self.base.data
+ # If we have no data, just return
+ if data == None:
+ return
+ ## Averaging
+ from sas.sascalc.dataloader.manipulations import Sectorcut
+ phimin = -self.left_line.phi + self.main_line.theta
+ phimax = self.left_line.phi + self.main_line.theta
+
+ mask = Sectorcut(phi_min=phimin, phi_max=phimax)
+ if self.is_inside:
+ out = (mask(data) == False)
+ else:
+ out = (mask(data))
+ return out
+
+ def moveend(self, ev):
+ """
+ Called a dragging motion ends.Get slicer event
+ """
+ self.base.thaw_axes()
+ ## Post parameters
+ event = SlicerParameterEvent()
+ event.type = self.__class__.__name__
+ event.params = self.get_params()
+ ## Send slicer paramers to plotter2D
+ wx.PostEvent(self.base, event)
+ self._post_data()
+
+ def restore(self):
+ """
+ Restore the roughness for this layer.
+ """
+ self.main_line.restore()
+ self.left_line.restore()
+ self.right_line.restore()
+
+ def move(self, x, y, ev):
+ """
+ Process move to a new position, making sure that the move is allowed.
+ """
+ pass
+
+ def set_cursor(self, x, y):
+ pass
+
+ def get_params(self):
+ """
+ Store a copy of values of parameters of the slicer into a dictionary.
+
+ :return params: the dictionary created
+
+ """
+ params = {}
+ ## Always make sure that the left and the right line are at phi
+ ## angle of the middle line
+ if math.fabs(self.left_line.phi) != math.fabs(self.right_line.phi):
+ msg = "Phi left and phi right are "
+ msg += "different %f, %f" % (self.left_line.phi,
+ self.right_line.phi)
+ raise ValueError, msg
+ params["Phi"] = self.main_line.theta
+ params["Delta_Phi"] = math.fabs(self.left_line.phi)
+ return params
+
+ def set_params(self, params):
+ """
+ Receive a dictionary and reset the slicer with values contained
+ in the values of the dictionary.
+
+ :param params: a dictionary containing name of slicer parameters and
+ values the user assigned to the slicer.
+ """
+ main = params["Phi"]
+ phi = math.fabs(params["Delta_Phi"])
+
+ self.main_line.theta = main
+ ## Reset the slicer parameters
+ self.main_line.update()
+ self.right_line.update(phi=phi, delta=None, mline=self.main_line,
+ side=True, right=True)
+ self.left_line.update(phi=phi, delta=None,
+ mline=self.main_line, side=True)
+ ## post the new corresponding data
+ self._post_data()
+
+ def freeze_axes(self):
+ """
+ """
+ self.base.freeze_axes()
+
+ def thaw_axes(self):
+ """
+ """
+ self.base.thaw_axes()
+
+ def draw(self):
+ """
+ """
+ self.base.update()
diff --git a/src/sas/sasgui/guiframe/local_perspectives/plotting/slicerpanel.py b/src/sas/sasgui/guiframe/local_perspectives/plotting/slicerpanel.py
new file mode 100644
index 0000000..10d182c
--- /dev/null
+++ b/src/sas/sasgui/guiframe/local_perspectives/plotting/slicerpanel.py
@@ -0,0 +1,170 @@
+import wx
+import wx.lib.newevent
+#from copy import deepcopy
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.events import SlicerParameterEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS
+from sas.sasgui.guiframe.events import EVT_SLICER
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+
+class SlicerPanel(wx.Panel, PanelBase):
+ """
+ Panel class to show the slicer parameters
+ """
+ #TODO: show units
+ #TODO: order parameters properly
+ ## Internal name for the AUI manager
+ window_name = "Slicer panel"
+ ## Title to appear on top of the window
+ window_caption = "Slicer Panel"
+ CENTER_PANE = False
+
+ def __init__(self, parent, id=-1, type=None, base=None,
+ params=None, *args, **kwargs):
+ wx.Panel.__init__(self, parent, id, *args, **kwargs)
+ PanelBase.__init__(self)
+ ## Initialization of the class
+ self.base = base
+ if params is None:
+ params = {}
+ self.params = params
+ self.parent = base.parent
+ self.frame = None
+ self.type = type
+ self.listeners = []
+ self.parameters = []
+ self.bck = wx.GridBagSizer(5, 5)
+ self.SetSizer(self.bck)
+ if type == None and params == None:
+ label = "Right-click on 2D plot for slicer options"
+ title = wx.StaticText(self, -1, label, style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (0, 0), (1, 2),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ else:
+ self.set_slicer(type, params)
+ ## Bindings
+ self.parent.Bind(EVT_SLICER, self.onEVT_SLICER)
+ self.parent.Bind(EVT_SLICER_PARS, self.onParamChange)
+
+ def onEVT_SLICER(self, event):
+ """
+ Process EVT_SLICER events
+ When the slicer changes, update the panel
+
+ :param event: EVT_SLICER event
+
+ """
+ event.Skip()
+ if event.obj_class == None:
+ self.set_slicer(None, None)
+ else:
+ self.set_slicer(event.type, event.params)
+
+ def set_slicer(self, type, params):
+ """
+ Rebuild the panel
+ """
+ self.bck.Clear(True)
+ self.type = type
+ if type == None:
+ label = "Right-click on 2D plot for slicer options"
+ title = wx.StaticText(self, -1, label, style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (0, 0), (1, 2),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ else:
+ title_text = str(type) + "Parameters"
+ title = wx.StaticText(self, -1, title_text,
+ style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (0, 0), (1, 2),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ n = 1
+ self.parameters = []
+ keys = params.keys()
+ keys.sort()
+ for item in keys:
+ if not item.lower() in ["num_points", "avg", "avg_error", "sum", "sum_error"]:
+ n += 1
+ text = wx.StaticText(self, -1, item, style=wx.ALIGN_LEFT)
+ self.bck.Add(text, (n - 1, 0),
+ flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL, border=15)
+ ctl = wx.TextCtrl(self, -1, size=(80, 20),
+ style=wx.TE_PROCESS_ENTER)
+ hint_msg = "Modify the value of %s to change " % item
+ hint_msg += "the 2D slicer"
+ ctl.SetToolTipString(hint_msg)
+ ctl.SetValue(str(format_number(params[item])))
+ self.Bind(wx.EVT_TEXT_ENTER, self.onTextEnter)
+ ctl.Bind(wx.EVT_SET_FOCUS, self.onSetFocus)
+ ctl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ self.parameters.append([item, ctl])
+ self.bck.Add(ctl, (n - 1, 1), flag=wx.TOP | wx.BOTTOM, border=0)
+ for item in keys:
+ if item.lower() in ["num_points", "avg", "avg_error", "sum", "sum_error"]:
+ n += 1
+ text = wx.StaticText(self, -1, item + ": ", style=wx.ALIGN_LEFT)
+ self.bck.Add(text, (n - 1, 0), flag=wx.LEFT | wx.ALIGN_CENTER_VERTICAL,
+ border=15)
+ ctl = wx.StaticText(self, -1,
+ str(format_number(params[item])),
+ style=wx.ALIGN_LEFT)
+ ctl.SetToolTipString("Result %s" % item)
+ self.bck.Add(ctl, (n - 1, 1), flag=wx.TOP | wx.BOTTOM, border=0)
+ self.bck.Layout()
+ self.Layout()
+ psizer = self.parent.GetSizer()
+ if psizer != None:
+ psizer.Layout()
+
+ def onSetFocus(self, evt):
+ """
+ Highlight the txtcrtl
+ """
+ evt.Skip()
+ # Get a handle to the TextCtrl
+ widget = evt.GetEventObject()
+ # Select the whole control, after this event resolves
+ wx.CallAfter(widget.SetSelection, -1, -1)
+ return
+
+ def onParamChange(self, evt):
+ """
+ Receive and event and reset the text field contained in self.parameters
+
+ """
+ evt.Skip()
+ for item in self.parameters:
+ if item[0] in evt.params:
+ item[1].SetValue(format_number(evt.params[item[0]]))
+ item[1].Refresh()
+
+ def onTextEnter(self, evt):
+ """
+ Parameters have changed
+ """
+ evt.Skip()
+ params = {}
+ has_error = False
+ for item in self.parameters:
+ try:
+ params[item[0]] = float(item[1].GetValue())
+ item[1].SetBackgroundColour(wx.SystemSettings_GetColour(wx.SYS_COLOUR_WINDOW))
+ item[1].Refresh()
+ except:
+ has_error = True
+ item[1].SetBackgroundColour("pink")
+ item[1].Refresh()
+
+ if has_error == False:
+ # Post parameter event
+ ## base is guiframe is this case
+ event = SlicerParameterEvent(type=self.type, params=params)
+ wx.PostEvent(self.base, event)
+
+ def on_close(self, event):
+ """
+ On Close Event
+ """
+ ID = self.uid
+ self.parent.delete_panel(ID)
+ self.frame.Destroy()
diff --git a/src/sas/sasgui/guiframe/media/BatchGridClassLayout.png b/src/sas/sasgui/guiframe/media/BatchGridClassLayout.png
new file mode 100644
index 0000000..26186a4
Binary files /dev/null and b/src/sas/sasgui/guiframe/media/BatchGridClassLayout.png differ
diff --git a/src/sas/sasgui/guiframe/media/M_angles_pic.bmp b/src/sas/sasgui/guiframe/media/M_angles_pic.bmp
new file mode 100644
index 0000000..2c85ec1
Binary files /dev/null and b/src/sas/sasgui/guiframe/media/M_angles_pic.bmp differ
diff --git a/src/sas/sasgui/guiframe/media/data_explorer_help.rst b/src/sas/sasgui/guiframe/media/data_explorer_help.rst
new file mode 100644
index 0000000..60b5554
--- /dev/null
+++ b/src/sas/sasgui/guiframe/media/data_explorer_help.rst
@@ -0,0 +1,129 @@
+.. data_explorer_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. _Loading_data:
+
+Loading Data
+============
+
+The data explorer
+-----------------
+
+*Data Explorer* is a panel that allows the user more interactions with data.
+Some functionalities provided by the *Data Explorer* are also available through
+the context menu of plot panels or other menus within the application.
+
+Under *View* in the menu bar, *Data Explorer* can be toggled between Show and
+Hide by clicking *Show/Hide Data Explorer*.
+
+*NOTE! When* Data Explorer *is hidden, all data loaded will be sent directly
+to the current active analysis, if possible. When* Data Explorer *is
+shown, data go first to the* Data Explorer.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Loading data
+------------
+
+To load data, do one of the following:
+
+Select File -> Load Data File(s), and navigate to your data;
+
+Select File -> Load Data Folder, which will attempt to load all the data in the
+specified folder;
+
+Or, in the *Data Explorer* click the button *Load Data*, then select one or more
+(by holding down the Ctrl key) files to load into SasView.
+
+The name of each loaded file will be listed in the *Data Explorer*. Clicking the
+*+* symbol alongside will display any available metadata read from the file.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+The handy menu
+--------------
+
+Right-clicking on a loaded dataset (or model calculation, what SasView calls a
+'theory') brings up a *Handy Menu* from which it is possible to access *Data Info*,
+*Save* the data/theory, or *Plot* the data/theory.
+
+.. image:: hand_menu.png
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Activating data
+---------------
+
+To interact with data it must be activated. This is accomplished by checking
+the box next to the file name in the *Data Explorer*. A green tick will appear.
+
+Unchecking/unticking a box deactivates that data set.
+
+There is also a combo box labeled *Selection Options* from which you can
+activate or deactivate multiple data sets in one go.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Removing data
+-------------
+
+*WARNING!* Remove Data *will stop any data operations currently using the
+selected data sets.*
+
+*Remove Data* removes all references to selected data from SasView.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Creating a new plot
+-------------------
+
+Click on the *New Plot* button to create a new plot panel where the currently
+selected data will be plotted.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Appending plots to a graph
+--------------------------
+
+This operation can currently only be performed on 1D data and plot panels
+containing 1D data.
+
+Click on the button *Append Plot To* to add selected data to a plot panel. Next
+to the button is a combo box containing the names of available plot panels.
+Selecting a name from this combo box will move that plot into focus.
+
+If a plot panel is not available, the combo box and button will be
+disabled.
+
+2D Data cannot be appended to any plot panels.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Freezing the theory
+-------------------
+
+The *Freeze Theory* button generates data from the selected theory.
+
+*NOTE! This operation can only be performed when theory labels are selected in*
+*the Data panel.*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Sending data to applications
+----------------------------
+
+Click on the *Send To* button to send the currently selected data to one of the
+available types of analysis (*Fitting*, *P(r) Inversion*, or *Invariant* calculation).
+
+The *Single*/*Batch* mode radio buttons only apply to *Fitting*.
+
+*Batch mode* provides serial (batch) fitting with one model function, that is,
+fitting one data set followed by another. If several data sets need to be
+fitted at the same time, use *Simultaneous* fitting under the *Fitting*
+option on the menu bar.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/guiframe/media/data_formats_help.rst b/src/sas/sasgui/guiframe/media/data_formats_help.rst
new file mode 100644
index 0000000..398a138
--- /dev/null
+++ b/src/sas/sasgui/guiframe/media/data_formats_help.rst
@@ -0,0 +1,95 @@
+.. data_formats.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+.. WG Bouwman, DUT, added during CodeCamp-V in Oct 2016 the SESANS data format
+
+.. _Formats:
+
+Data Formats
+============
+
+SasView reads several different 1D SAS (*I(Q) vs Q*), 2D SAS(*I(Qx,Qy) vs (Qx,Qy)*) and 1D SESANS (*P(z) vs z*) data files. From SasView 4.1 onwards, a :ref:`File_Converter_Tool` allows some legacy formats to be converted into modern formats that SasView will read.
+
+1D SAS Formats
+--------------
+
+SasView will read ASCII ('text') files with 2 to 4 columns of numbers in the following order:
+
+ *Q, I(Q), ( dI(Q), dQ(Q) )*
+
+where *dQ(Q)* is the instrumental resolution in *Q* and assumed to have originated
+from pinhole geometry.
+
+Numbers can be separated by spaces or commas.
+
+SasView recognises the following file extensions which are not case-sensitive:
+
+* .TXT
+* .ASC
+* .DAT
+* .XML (in canSAS format v1.0 and 1.1)
+
+If using CSV output from, for example, a spreadsheet, ensure that it is not using commas as delimiters for thousands.
+
+The SasView :ref:`File_Converter_Tool` available in SasView 4.1 onwards can be used to convert data sets with separated *I(Q)* and *Q* files (for example, BSL/OTOKO, and some output from FIT2D and other SAXS-oriented software) into either the canSAS SASXML (XML) format or the NeXus NXcanSAS (HDF5) format.
+
+For a description of the CanSAS/SASXML format see:
+http://www.cansas.org/formats/canSAS1d/1.1/doc/
+
+For a description of the ISIS 1D format see:
+http://www.isis.stfc.ac.uk/instruments/loq/software/colette-ascii-file-format-descriptions9808.pdf
+
+For a description of the NXcanSAS format see:
+http://cansas-org.github.io/NXcanSAS/classes/contributed_definitions/NXcanSAS.html
+
+All the above formats are written by the `Mantid Framework <http://www.mantidproject.org/>`_.
+
+For a description of the NIST 1D format see:
+http://danse.chem.utk.edu/trac/wiki/NCNROutput1D_IQ
+
+For a description of the BSL/OTOKO format see:
+http://www.diamond.ac.uk/Beamlines/Soft-Condensed-Matter/small-angle/SAXS-Software/CCP13/BSL.html
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+2D SAS Formats
+--------------
+
+SasView will read ASCII ('text') files in the NIST 2D format (with the extensions .ASC or .DAT) or files in the NeXus NXcanSAS (HDF5) format (with the extension .H5). File extensions are not case-sensitive. Both of these formats are written by the `Mantid Framework <http://www.mantidproject.org/>`_.
+
+Most of the header lines in the NIST 2D format can actually be removed except the last line, and only the first three columns (*Qx, Qy,* and *I(Qx,Qy)*) are actually required.
+
+The SasView :ref:`File_Converter_Tool` available in SasView 4.1 onwards can be used to convert data sets in the 2D BSL/OTOKO format into the NeXus NXcanSAS (HDF5) format.
+
+For a description of the NIST 2D format see:
+http://danse.chem.utk.edu/trac/wiki/NCNROutput1D_2DQxQy
+
+For a description of the NXcanSAS format see:
+http://cansas-org.github.io/NXcanSAS/classes/contributed_definitions/NXcanSAS.html
+
+For a description of the BSL/OTOKO format see: For a description of the BSL/OTOKO format see:
+http://www.diamond.ac.uk/Beamlines/Soft-Condensed-Matter/small-angle/SAXS-Software/CCP13/BSL.html
+
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+1D SESANS Format
+----------------
+
+SasView version 4.1 onwards will read ASCII ('text') files in a prototype SESANS standard format (with the extensions .SES or .SESANS). The file extensions are not case-sensitive.
+
+The file format has a list of name-value pairs at the top of the file which detail the general experimental parameters necessary for fitting and analyzing data. This list should contain all the information necessary for the file to be 'portable' between users.
+
+Following the header is a 6 column list of instrument experimental variables:
+
+- Spin echo length (z, in Angstroms)
+- Spin echo length error (:math:`\Delta`\ z, in Angstroms) (experimental resolution)
+- Neutron wavelength (:math:`\lambda`, in Angstroms) (essential for ToF instruments)
+- Neutron wavelength error (:math:`\Delta \lambda`, in Angstroms)
+- Normalized polarization (:math:`P/P_0`, unitless)
+- Normalized polarization error (:math:`\Delta(P/P_0)`, unitless) (measurement error)
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 07Oct2016
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/media/graph_help.rst b/src/sas/sasgui/guiframe/media/graph_help.rst
new file mode 100644
index 0000000..5a13784
--- /dev/null
+++ b/src/sas/sasgui/guiframe/media/graph_help.rst
@@ -0,0 +1,377 @@
+.. graph_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+
+Plotting Data/Models
+====================
+
+SasView generates three different types of graph window: one that displays *1D data*
+(ie, I(Q) vs Q), one that displays *1D residuals* (ie, the difference between the
+experimental data and the theory at the same Q values), and *2D color maps*.
+
+Graph window options
+--------------------
+
+.. _Invoking_the_graph_menu:
+
+Invoking the graph menu
+^^^^^^^^^^^^^^^^^^^^^^^
+
+To invoke the *Graph Menu* simply right-click on a data/theory plot, or click
+the *Graph Menu* (bullet list) icon in the toolbar at the bottom of the plot.
+Then select a menu item.
+
+How to Hide-Show-Delete a graph
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+To expand a plot window, click the *Maximise* (square) icon in the top-right
+corner.
+
+To shrink a plot window, click the *Restore down* (square-on-square) icon in
+the top-right corner.
+
+To hide a plot, click the *Minimise* (-) icon in the top-right corner of the
+plot window.
+
+To show a hidden plot, select the *Restore up* (square-on-square) icon on the
+minimised window.
+
+To delete a plot, click the *Close* (x) icon in the top-right corner of the
+plot window.
+
+.. note::
+ *If a residuals graph (when fitting data) is hidden, it will not show up
+ after computation.*
+
+Dragging a plot
+^^^^^^^^^^^^^^^
+
+Select the *Pan* (crossed arrows) icon in the toolbar at the bottom of the plot
+to activate this option. Move the mouse pointer to the plot. It will change to
+a hand. Then left-click and drag the plot around. The axis values will adjust
+accordingly.
+
+To disable dragging mode, unselect the *crossed arrows* icon on the toolbar.
+
+Zooming In-Out on a plot
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+Select the *Zoom* (magnifying glass) button in the toolbar at the bottom of
+the plot to activate this option. Move the mouse pointer to the plot. It will
+change to a cross-hair. Then left-click and drag the pointer around to generate
+a region of interest. Release the mouse button to generate the new view.
+
+To disable zoom mode, unselect the *Zoom* button on the toolbar.
+
+After zooming in on a a region, the *left arrow* or *right arrow* buttons on
+the toolbar will switch between recent views.
+
+The axis range can also be specified manually. To do so go to the *Graph Menu*
+(see Invoking_the_graph_menu_ for further details), choose the *Set Graph Range*
+option and enter the limits in the pop box.
+
+*NOTE! If a wheel mouse is available scrolling the wheel will zoom in/out
+on the current plot (changing both axes). Alternatively, point at the numbers
+on one axis and scroll the wheel to zoom in/out on just that axis.*
+
+To return to the original view of the data, click the the *Reset* (home) icon
+in the toolbar at the bottom of the plot (see Resetting_the_graph_ for further details).
+
+Saving a plot image
+^^^^^^^^^^^^^^^^^^^
+
+To save the current plot as an image file, right click on the plot to bring up
+the *Graph Menu* (see Invoking_the_graph_menu_) and select *Save Image*.
+Alternatively, click on the *Save* (floppy disk) icon in the toolbar at the
+bottom of the plot.
+
+A dialog window will open. Select a folder, enter a filename, choose an output
+image type, and click *Save*.
+
+The currently supported image types are:
+
+* EPS (encapsulated postscript)
+* EMF (enhanced metafile)
+* JPG/JPEG (joint photographics experts group)
+* PDF (portable documant format)
+* PNG (portable network graphics)
+* PS (postscript)
+* RAW/RGBA (bitmap, stored as 935x635 pixels of depth 8)
+* SVG/SVGA (scalable vector graphics)
+* TIF/TIFF (tagged iamge file)
+
+Printing a plot
+^^^^^^^^^^^^^^^
+
+To send the current plot to a printer, click on the *Print* (printer) icon in
+the toolbar at the bottom of the plot.
+
+.. _Resetting_the_graph:
+
+Resetting the graph
+^^^^^^^^^^^^^^^^^^^
+
+To reset the axis range of a graph to its initial values select *Reset Graph
+Range* on the *Graph Menu* (see Invoking_the_graph_menu_). Alternatively, use
+the *Reset* (home) icon in the toolbar at the bottom of the plot.
+
+Modifying the graph
+^^^^^^^^^^^^^^^^^^^
+
+It is possible to make custom modifications to plots including:
+
+* changing the plot window title
+* changing the default legend location and toggling it on/off
+* changing the axis label text
+* changing the axis label units
+* changing the axis label font & font colour
+* adding/removing a text string
+* adding a grid overlay
+
+The legend and text strings can be drag and dropped around the plot
+
+These options are accessed through the *Graph Menu* (see Invoking_the_graph_menu_)
+and selecting *Modify Graph Appearance* (for axis labels, grid overlay and
+legend position) or *Add Text* to add textual annotations, selecting font, color,
+style and size. *Remove Text* will remove the last annotation added. To change
+the legend. *Window Title* allows a custom title to be entered instead of Graph
+x.
+
+Changing scales
+^^^^^^^^^^^^^^^
+
+This menu option is only available with 1D data.
+
+From the *Graph Menu* (see Invoking_the_graph_menu_) select *Change Scale*. A
+dialog window will appear in which it is possible to choose different
+transformations of the x (usually Q) or y (usually I(Q)) axes, including:
+
+* x, x^2, x^4, ln(x), log10(x), log10(x^4)
+* y, 1/y, ln(y), y^2, y.(x^4), 1/sqrt(y),
+* log10(y), ln(y.x), ln(y.x^2), ln(y.x^4), log10(y.x^4)
+
+A *View* option includes short-cuts to common SAS transformations, such as:
+
+* linear
+* Guinier
+* X-sectional Guinier
+* Porod
+* Kratky
+
+For properly corrected and scaled data, these SAS transformations can be used
+to estimate, for example, Rg, rod diameter, or SANS incoherent background
+levels, via a linear fit (see Making_a_linear_fit_).
+
+Toggling scales
+^^^^^^^^^^^^^^^
+
+This menu option is only available with 2D data.
+
+From the *Graph Menu* (see Invoking_the_graph_menu_) select *Toggle Linear/Log
+Scale* to switch between a linear to log intensity scale. The type of scale
+selected is written alongside the colour scale.
+
+2D color maps
+^^^^^^^^^^^^^
+
+This menu option is only available with 2D data.
+
+From the *Graph Menu* (see Invoking_the_graph_menu_) select *2D Color Map* to
+choose a different color scale for the image and/or change the maximum or
+minimum limits of the scale.
+
+Getting data coordinates
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+Clicking anywhere in the plot window will cause the current coordinates to be
+displayed in the status bar at the very bottom-left of the SasView window.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Dataset menu options
+--------------------
+
+.. _Invoking_the_dataset_menu:
+
+Invoking the dataset menu
+^^^^^^^^^^^^^^^^^^^^^^^^^
+
+From the *Graph Menu* (see Invoking_the_graph_menu_) highlight a plotted
+dataset.
+
+Getting data info
+^^^^^^^^^^^^^^^^^
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), highlight a data set
+and select *DataInfo* to bring up a data information dialog panel for that
+data set.
+
+Saving data
+^^^^^^^^^^^
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), select *Save Points as
+a File* (if 1D data) or *Save as a file(DAT)* (if 2D data). A save dialog will
+appear.
+
+1D data can be saved in either ASCII text (.TXT) or CanSAS/SASXML (.XML)
+formats (see :ref:`Formats`).
+
+2D data can only be saved in the NIST 2D format (.DAT) (see :ref:`Formats`).
+
+.. _Making_a_linear_fit:
+
+Making a linear fit
+^^^^^^^^^^^^^^^^^^^
+
+Linear fit performs a simple ( y(x)=ax+b ) linear fit within the plot window.
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), select *Linear Fit*. A
+fitting dialog will appear. Set some initial parameters and data limits and
+click *Fit*. The fitted parameter values are displayed and the resulting line
+calculated from them is added to the plot.
+
+This option is most useful for performing simple Guinier, XS Guinier, and
+Porod type analyses, for example, to estimate Rg, a rod diameter, or incoherent
+background level, respectively.
+
+The following figure shows an example of a Guinier analysis using this option
+
+.. image:: guinier_fit.png
+
+Removing data from the plot
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), select *Remove*. The
+selected data will be removed from the plot.
+
+.. note::
+ The Remove data set action cannot be undone.
+
+Show-Hide error bars
+^^^^^^^^^^^^^^^^^^^^
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), select *Show Error Bar*
+or *Hide Error Bar* to switch between showing/hiding the errors associated
+with the chosen dataset.
+
+Modify plot properties
+^^^^^^^^^^^^^^^^^^^^^^
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), select *Modify Plot
+Property* to change the size, color, or shape of the displayed marker for the
+chosen dataset, or to change the dataset label that appears in the plot legend
+box.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+2D data averaging
+-----------------
+
+Purpose
+^^^^^^^
+
+This feature is only available with 2D data.
+
+2D data averaging allows you to perform different types of averages on your
+data. The region to be averaged is displayed in the plot window and its limits
+can be modified by dragging the boundaries around.
+
+How to average
+^^^^^^^^^^^^^^
+
+In the *Dataset Menu* (see Invoking_the_dataset_menu_), select one of the
+following averages
+
+* Perform Circular Average
+* Sector [Q view]
+* Annulus [Phi view]
+* Box sum
+* Box averaging in Qx
+* Box averaging on Qy
+
+A 'slicer' will appear (except for *Perform Circular Average*) in the plot that
+you can drag by clicking on a slicer's handle. When the handle is highlighted
+in red, it means that the slicer can move/change size.
+
+*NOTE! The slicer size will reset if you try to select a region greater than
+the size of the data.*
+
+Alternatively, once a 'slicer' is active you can also select the region to
+average by bringing back the *Dataset Menu* and selecting *Edit Slicer
+Parameters*. A dialog window will appear in which you can enter values to
+define a region or select the number of points to plot (*nbins*).
+
+A separate plot window will also have appeared, displaying the requested
+average.
+
+.. note::
+ The displayed average only updates when input focus is moved back to
+ that window; ie, when the mouse pointer is moved onto that plot.
+
+Selecting *Box Sum* automatically brings up the 'Slicer Parameters' dialog in
+order to display the average numerically, rather than graphically.
+
+To remove a 'slicer', bring back the *Dataset menu* and select *Clear Slicer*.
+
+Unmasked circular average
+^^^^^^^^^^^^^^^^^^^^^^^^^
+
+This operation will perform an average in constant Q-rings around the (x,y)
+pixel location of the beam center.
+
+Masked circular average
+^^^^^^^^^^^^^^^^^^^^^^^
+
+This operation is the same as 'Unmasked Circular Average' except that any
+masked region is excluded.
+
+Sector average [Q View]
+^^^^^^^^^^^^^^^^^^^^^^^
+
+This operation averages in constant Q-arcs.
+
+The width of the sector is specified in degrees (+/- |delta|\|phi|\) each side
+of the central angle (|phi|\).
+
+Annular average [|phi| View]
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+This operation performs an average between two Q-values centered on (0,0),
+and averaged over a specified number of pixels.
+
+The data is returned as a function of angle (|phi|\) in degrees with zero
+degrees at the 3 O'clock position.
+
+Box sum
+^^^^^^^
+
+This operation performs a sum of counts in a 2D region of interest.
+
+When editing the slicer parameters, the user can enter the length and the width
+the rectangular slicer and the coordinates of the center of the rectangle.
+
+Box Averaging in Qx
+^^^^^^^^^^^^^^^^^^^
+
+This operation computes an average I(Qx) for the region of interest.
+
+When editing the slicer parameters, the user can control the length and the
+width the rectangular slicer. The averaged output is calculated from constant
+bins with rectangular shape. The resultant Q values are nominal values, that
+is, the central value of each bin on the x-axis.
+
+Box Averaging in Qy
+^^^^^^^^^^^^^^^^^^^
+
+This operation computes an average I(Qy) for the region of interest.
+
+When editing the slicer parameters, the user can control the length and the
+width the rectangular slicer. The averaged output is calculated from constant
+bins with rectangular shape. The resultant Q values are nominal values, that
+is, the central value of each bin on the x-axis.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last modified by Paul Butler, 05 September, 2016
diff --git a/src/sas/sasgui/guiframe/media/guinier_fit.png b/src/sas/sasgui/guiframe/media/guinier_fit.png
new file mode 100644
index 0000000..ff48b57
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diff --git a/src/sas/sasgui/guiframe/media/hand_menu.png b/src/sas/sasgui/guiframe/media/hand_menu.png
new file mode 100644
index 0000000..66215b7
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diff --git a/src/sas/sasgui/guiframe/panel_base.py b/src/sas/sasgui/guiframe/panel_base.py
new file mode 100644
index 0000000..96ea956
--- /dev/null
+++ b/src/sas/sasgui/guiframe/panel_base.py
@@ -0,0 +1,454 @@
+
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2008, University of Tennessee
+################################################################################
+
+
+from sas.sasgui.guiframe.events import PanelOnFocusEvent
+from sas.sasgui.guiframe.events import EVT_NEW_BATCH
+import wx
+
+class PanelBase:
+ """
+ Defines the API for a panels to work with
+ the ViewerFrame toolbar and menu bar
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ #window_name = "default"
+ ## Name to appear on the window title bar
+ #window_caption = "Welcome panel"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ group_id = None
+ uid = None
+
+ def __init__(self, parent=None):
+ """
+ Initialize some flag that Viewerframe used
+ """
+ #panel manager
+ self._manager = None
+ self.parent = parent
+ if self.parent is not None and hasattr(self.parent, '_manager'):
+ self._manager = self.parent._manager
+ self._print_flag = False
+ self._undo_flag = False
+ self._redo_flag = False
+ self._copy_flag = False
+ self._paste_flag = False
+ self._preview_flag = False
+ self._bookmark_flag = False
+ self._zoom_in_flag = False
+ self._zoom_out_flag = False
+ self._zoom_flag = False
+ self._save_flag = False
+ self._drag_flag = False
+ self._reset_flag = False
+ self._has_changed = False
+ self.batch_on = False
+ if self.parent is not None and hasattr(self.parent, "batch_on"):
+ self.batch_on = self.parent.batch_on
+
+ self.group_id = None
+ self.help_string = ''
+
+ def on_batch_selection(self, event):
+ """
+ :param event: contains parameter enable. When enable is set to True
+ the application is in Batch mode otherwise the application is
+ in Single mode.
+ """
+ self.batch_on = event.enable
+ def save_project(self, doc=None):
+ """
+ return an xml node containing state of the panel
+ that guiframe can write to file
+ """
+ return None
+
+ def has_changed(self):
+ """
+ """
+ return self._has_changed
+
+ def _set_print_flag(self, flag=True):
+ """
+ The derivative class sets the print flag value to indicate that it can
+ be printed
+ """
+ if flag == self._print_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._print_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_print()
+
+ def get_print_flag(self):
+ """
+ Get the print flag to update appropriately the tool bar
+ """
+ return self._print_flag
+
+ def _set_undo_flag(self, flag=True):
+ """
+ The derivative class sets the undo flag value to indicate that the
+ current action done can be canceled
+ """
+ if flag == self._undo_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._undo_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_undo()
+
+ def get_undo_flag(self):
+ """
+ Get the undo flag to update appropriately the tool bar
+ """
+ return self._undo_flag
+
+ def _set_redo_flag(self, flag=True):
+ """
+ The derivative class sets the redo flag value to indicate that the
+ action done can be recovered
+ """
+ if flag == self._redo_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._redo_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_redo()
+
+ def get_redo_flag(self):
+ """
+ Get the redo flag to update appropriately the tool bar
+ """
+ return self._redo_flag
+
+ def _set_copy_flag(self, flag=True):
+ """
+ The derivative class sets the copy flag value to indicate that the
+ action done can be recovered
+ """
+ if flag == self._copy_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._copy_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_copy()
+
+ def get_copy_flag(self):
+ """
+ Get the copy flag to update appropriately the tool bar
+ """
+ return self._copy_flag
+
+ def _set_paste_flag(self, flag=True):
+ """
+ The derivative class sets the paste flag value to indicate that the
+ action done can be recovered
+ """
+ if flag == self._paste_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._paste_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_paste()
+
+ def get_paste_flag(self):
+ """
+ Get the copy flag to update appropriately the tool bar
+ """
+ return self._copy_flag
+
+ def _set_zoomed_in_flag(self, flag=True):
+ """
+ The derivative class sets the zoom in flag value to indicate that it
+ can be zoomed in
+ """
+ if self._zoom_in_flag == flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._zoom_in_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_zoom_in()
+
+ def get_zoom_in_flag(self):
+ """
+ Get the zoom in flag to update appropriately the tool bar
+ """
+ return self._zoom_in_flag
+
+ def _set_zoomed_out_flag(self, flag=True):
+ """
+ The derivative class sets the zoom out flag value to indicate that it
+ can be zoomed out
+ """
+ if self._zoom_out_flag == flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._zoom_out_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.panel_on_focus = self
+ self._manager.parent.enable_zoom_out()
+
+ def get_zoom_out_flag(self):
+ """
+ Get the zoom out flag to update appropriately the tool bar
+ """
+ return self._zoom_out_flag
+
+ def _set_zoom_flag(self, flag=True):
+ """
+ The derivative class sets the zoom flag value to indicate that it
+ can be zoomed
+ """
+ if flag == self._zoom_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._zoom_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_zoom()
+
+ def get_zoom_flag(self):
+ """
+ Get the zoom flag to update appropriately the tool bar
+ """
+ return self._zoom_flag
+
+ def _set_bookmark_flag(self, flag=True):
+ """
+ The derivative class sets the bookmark flag value to indicate that it
+ can be bookmarked
+ """
+ if flag == self._bookmark_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._bookmark_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_bookmark()
+
+ def get_bookmark_flag(self):
+ """
+ Get the bookmark flag to update appropriately the tool bar
+ """
+ return self._bookmark_flag
+
+ def _set_preview_flag(self, flag=True):
+ """
+ The derivative class sets the preview flag value to indicate that it
+ can be previewed
+ """
+ if flag == self._preview_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._preview_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_preview()
+
+ def get_preview_flag(self):
+ """
+ Get the preview flag to update appropriately the tool bar
+ """
+ return self._preview_flag
+
+ def _set_save_flag(self, flag=True):
+ """
+ The derivative class sets the drag flag value to indicate that it
+ can be saved
+ """
+ if flag == self._save_flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._save_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_save()
+
+ def get_save_flag(self):
+ """
+ Get the save flag to update appropriately the tool bar
+ """
+ return self._save_flag
+
+ def _set_drag_flag(self, flag=True):
+ """
+ The derivative class sets the drag flag value to indicate that
+ dragging motion is possible
+ """
+ if self._drag_flag == flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._drag_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_drag()
+
+ def get_drag_flag(self):
+ """
+ Get the drag flag to update appropriately the tool bar
+ """
+ return self._drag_flag
+
+ def _set_analysis(self, flag):
+ """
+ Set the Analysis Save state flag and informs the manager
+ so it refreshes the menu/whole panel
+ """
+ self._set_save_flag(flag)
+ if self._manager is not None:
+ wx.PostEvent(self._manager.parent, PanelOnFocusEvent(panel=self))
+
+ def _set_reset_flag(self, flag=True):
+ """
+ The derivative class sets the reset flag value to indicate that it
+ can be reset
+ """
+ if self._reset_flag == flag:
+ self._has_changed = False
+ return
+ self._has_changed = True
+ self._reset_flag = flag
+ if self._manager is not None and self._manager.parent is not None:
+ self._manager.parent.cpanel_on_focus = self
+ self._manager.parent.enable_reset()
+
+ def on_tap_focus(self):
+ """
+ Update menu on clicking the panel tap
+ """
+ #Implemented only on fitting note book
+ pass
+
+ def get_reset_flag(self):
+ """
+ Get the reset flag to update appropriately the tool bar
+ """
+ return self._reset_flag
+
+ def on_reset(self, event):
+ """
+ The derivative class state is restored
+ """
+ def on_drag(self, event):
+ """
+ The derivative class allows dragging motion if implemented
+ """
+ def on_preview(self, event):
+ """
+ Display a printable version of the class derivative
+ """
+ def on_save(self, event):
+ """
+ The state of the derivative class is restored
+ """
+ def on_redo(self, event):
+ """
+ The previous action is restored if possible
+ """
+ def on_undo(self, event):
+ """
+ The current action is canceled
+ """
+ def on_copy(self, event):
+ """
+ The copy action if possible
+ """
+ def on_paste(self, event):
+ """
+ The paste action if possible
+ """
+ def on_bookmark(self, event):
+ """
+ The derivative class is on bookmark mode if implemented
+ """
+ def on_zoom_in(self, event):
+ """
+ The derivative class is on zoom in mode if implemented
+ """
+ def on_zoom_out(self, event):
+ """
+ The derivative class is on zoom out mode if implemented
+ """
+ def on_zoom(self, event):
+ """
+ The derivative class is on zoom mode (using pane)
+ if zoom mode is implemented
+ """
+ def on_set_focus(self, event=None):
+ """
+ The derivative class is on focus if implemented
+ """
+ if self.parent is not None:
+ wx.PostEvent(self.parent, PanelOnFocusEvent(panel=self))
+
+ def on_kill_focus(self, event=None):
+ """
+ The derivative class is on unfocus if implemented
+ """
+ pass
+
+ def get_data(self):
+ """
+ return list of current data
+ """
+ return
+
+ def get_state(self):
+ """
+ return the current state
+ """
+ return
+
+ def set_manager(self, manager):
+ """
+ """
+ self._manager = manager
+
+ def get_manager(self):
+ """
+ """
+ return self._manager
+
+ def get_frame(self):
+ """
+ """
+ if self._manager == None:
+ return None
+ return self._manager.frame
+
+ def on_close(self, event):
+ """
+ Close event. Hide the whole window.
+ """
+ parent = self.GetParent()
+ if parent is not None:
+ parent.Hide()
+
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/pdfview.py b/src/sas/sasgui/guiframe/pdfview.py
new file mode 100644
index 0000000..c1bd133
--- /dev/null
+++ b/src/sas/sasgui/guiframe/pdfview.py
@@ -0,0 +1,169 @@
+# Read PDF files by embeding the Adobe Acrobat Reader
+# wx.activex module uses class ActiveX control
+
+import wx
+import os
+if wx.Platform == '__WXMSW__':
+ from wx.lib.pdfwin import PDFWindow
+
+from wx.lib.scrolledpanel import ScrolledPanel
+STYLE = wx.TE_MULTILINE|wx.TE_READONLY|wx.SUNKEN_BORDER|wx.HSCROLL
+
+class TextPanel(ScrolledPanel):
+ """
+ Panel that contains the text
+ """
+ def __init__(self, parent, text=None):
+ """
+ """
+ ScrolledPanel.__init__(self, parent, id=-1)
+ self.SetupScrolling()
+ self.parent = parent
+ self.text = text
+ sizer = wx.BoxSizer(wx.VERTICAL)
+ self.textctl = wx.TextCtrl(self, -1, size=(-1, -1), style=STYLE)
+ self.textctl.SetValue(self.text)
+ sizer.Add(self.textctl, proportion=1, flag=wx.EXPAND)
+ self.SetSizer(sizer)
+ self.SetAutoLayout(True)
+ wx.EVT_CLOSE(self.parent, self.OnClose)
+
+ def OnClose(self, event):
+ """
+ Close panel
+ """
+ self.parent.Destroy()
+
+class TextFrame(wx.Frame):
+ """
+ Frame for PDF panel
+ """
+ def __init__(self, parent, id, title, text):
+ """
+ Init
+
+ :param parent: parent panel/container
+ :param path: full path of the pdf file
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title,
+ wx.DefaultPosition, wx.Size(600, 830))
+ # make an instance of the class
+ TextPanel(self, text)
+ self.SetFocus()
+
+class PDFPanel(wx.Panel):
+ """
+ Panel that contains the pdf reader
+ """
+ def __init__(self, parent, path=None):
+ """
+ """
+ wx.Panel.__init__(self, parent, id=-1)
+
+ self.parent = parent
+ self.path = path
+ sizer = wx.BoxSizer(wx.VERTICAL)
+ btnSizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.pdf = PDFWindow(self, style=wx.SUNKEN_BORDER)
+
+ sizer.Add(self.pdf, proportion=1, flag=wx.EXPAND)
+
+ btn = wx.Button(self, wx.NewId(), "Open PDF File")
+ self.Bind(wx.EVT_BUTTON, self.OnOpenButton, btn)
+ btnSizer.Add(btn, proportion=1, flag=wx.EXPAND|wx.ALL, border=5)
+
+ self.pdf.LoadFile(self.path)
+ btn = wx.Button(self, wx.NewId(), "Previous Page")
+ self.Bind(wx.EVT_BUTTON, self.OnPrevPageButton, btn)
+ btnSizer.Add(btn, proportion=1, flag=wx.EXPAND|wx.ALL, border=5)
+
+ btn = wx.Button(self, wx.NewId(), "Next Page")
+ self.Bind(wx.EVT_BUTTON, self.OnNextPageButton, btn)
+ btnSizer.Add(btn, proportion=1, flag=wx.EXPAND|wx.ALL, border=5)
+
+ btn = wx.Button(self, wx.NewId(), "Close")
+ self.Bind(wx.EVT_BUTTON, self.OnClose, btn)
+ btnSizer.Add(btn, proportion=1, flag=wx.EXPAND|wx.ALL, border=5)
+ btnSizer.Add((50,-1), proportion=2, flag=wx.EXPAND)
+ sizer.Add(btnSizer, proportion=0, flag=wx.EXPAND)
+
+ self.SetSizer(sizer)
+ self.SetAutoLayout(True)
+ wx.EVT_CLOSE(self.parent, self.OnClose)
+
+ def OnOpenButton(self, event):
+ """
+ Open file button
+ """
+ # make sure you have PDF files available on your drive
+ dlg = wx.FileDialog(self, wildcard="*.pdf")
+ dlg.SetDirectory(os.path.dirname(self.path))
+ if dlg.ShowModal() == wx.ID_OK:
+ wx.BeginBusyCursor()
+ file = dlg.GetPath()
+ self.pdf.LoadFile(file)
+ self.parent.SetTitle(os.path.basename(file.split('.')[0]))
+ wx.EndBusyCursor()
+ dlg.Destroy()
+ # Let Panel know the file changed: Avoiding C++ error
+ self.Update()
+
+ def OnLoad(self, event=None, path=None):
+ """
+ Load a pdf file
+
+ : Param path: full path to the file
+ """
+ self.pdf.LoadFile(path)
+
+
+ def OnPrevPageButton(self, event):
+ """
+ Goes to Previous page
+ """
+ self.pdf.gotoPreviousPage()
+
+ def OnNextPageButton(self, event):
+ """
+ Goes to Next page
+ """
+ self.pdf.gotoNextPage()
+
+ def OnClose(self, event):
+ """
+ Close panel
+ """
+ self.parent.Destroy()
+
+class PDFFrame(wx.Frame):
+ """
+ Frame for PDF panel
+ """
+ def __init__(self, parent, id, title, path):
+ """
+ Init
+
+ :param parent: parent panel/container
+ :param path: full path of the pdf file
+ """
+ # Initialize the Frame object
+ wx.Frame.__init__(self, parent, id, title,
+ wx.DefaultPosition, wx.Size(600, 830))
+ # make an instance of the class
+ PDFPanel(self, path)
+
+class ViewApp(wx.App):
+ def OnInit(self):
+ path = None
+ frame = PDFFrame(None, -1, "PDFView", path=path)
+
+ frame.Show(True)
+ #self.SetTopWindow(frame)
+
+ return True
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/guiframe/plugin_base.py b/src/sas/sasgui/guiframe/plugin_base.py
new file mode 100644
index 0000000..ffa8bc7
--- /dev/null
+++ b/src/sas/sasgui/guiframe/plugin_base.py
@@ -0,0 +1,285 @@
+"""
+Defines the interface for a Plugin class that can be used by the gui_manager.
+"""
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2008, University of Tennessee
+################################################################################
+
+class PluginBase(object):
+ """
+ This class defines the interface for a Plugin class
+ that can be used by the gui_manager.
+
+ Plug-ins should be placed in a sub-directory called "perspectives".
+ For example, a plug-in called Foo should be place in "perspectives/Foo".
+ That directory contains at least two files:
+
+ 1. perspectives/Foo/__init__.py contains two lines: ::
+
+ PLUGIN_ID = "Foo plug-in 1.0"
+ from Foo import *
+
+ 2. perspectives/Foo/Foo.py contains the definition of the Plugin
+ class for the Foo plug-in. The interface of that Plugin class
+ should follow the interface of the class you are looking at.
+
+ See dummyapp.py for a plugin example.
+ """
+
+ def __init__(self, name="Test_plugin"):
+ """
+ Abstract class for gui_manager Plugins.
+ """
+ # Define if the plugin is local to Viewerframe and always active
+ self._always_active = False
+ ## Plug-in name. It will appear on the application menu.
+ self.sub_menu = name
+ ## Reference to the parent window. Filled by get_panels() below.
+ self.parent = None
+ self.frame = None
+ #plugin state reader
+ self.state_reader = None
+ self._extensions = ''
+ ## List of panels that you would like to open in AUI windows
+ # for your plug-in. This defines your plug-in "perspective"
+ self.perspective = []
+ #flag to tell the current plugin that aaplication is in batch mode
+ self.batch_on = False
+ #properties for color and ID of a specific plugin..
+ self.color = None
+ self.id = -1
+ self.batch_capable = self.get_batch_capable()
+
+ def get_batch_capable(self):
+ """
+ Check if the plugin has a batch capability
+ """
+ return False
+
+ def add_color(self, color, id):
+ """
+ Adds color to a plugin
+ """
+
+ def clear_panel(self):
+ """
+ clear all related panels
+ """
+
+ def get_extensions(self):
+ """
+ return state reader and its extensions
+ """
+ return self.state_reader, self._extensions
+
+ def can_load_data(self):
+ """
+ if return True, then call handler to laod data
+ """
+ return False
+
+ def use_data(self):
+ """
+ return True if these plugin use data
+ """
+ return True
+
+ def is_in_use(self, data_id):
+ """
+ get a data id a list of data name if data data is
+ currently used by the plugin and the name of the plugin
+
+ data_name = 'None'
+ in_use = False
+ example [(data_name, self.sub_menu)]
+ """
+ return []
+
+ def delete_data(self, data_id):
+ """
+ Delete all references of data which id are in data_list.
+ """
+
+ def load_data(self, event):
+ """
+ Load data
+ """
+ raise NotImplementedError
+
+ def load_folder(self, event):
+ """
+ Load entire folder
+ """
+ raise NotImplementedError
+
+ def set_is_active(self, active=False):
+ """
+ Set if the perspective is always active
+ """
+ self._always_active = active
+
+ def is_always_active(self):
+ """
+ return True is this plugin is always active and it is local to guiframe
+ even if the user is switching between perspectives
+ """
+ return self._always_active
+
+ def populate_file_menu(self):
+ """
+ Append menu item under file menu item of the frame
+ """
+ return []
+
+ def populate_menu(self, parent):
+ """
+ Create and return the list of application menu
+ items for the plug-in.
+
+ :param parent: parent window
+
+ :return: plug-in menu
+
+ """
+ return []
+
+ def get_frame(self):
+ """
+ Returns MDIChildFrame
+ """
+ return self.frame
+
+ def _frame_set_helper(self):
+ """
+ Sets default frame config
+ """
+ if self.frame != None:
+ self.frame.EnableCloseButton(False)
+ self.frame.Show(False)
+
+ def get_panels(self, parent):
+ """
+ Create and return the list of wx.Panels for your plug-in.
+ Define the plug-in perspective.
+
+ Panels should inherit from DefaultPanel defined below,
+ or should present the same interface. They must define
+ "window_caption" and "window_name".
+
+ :param parent: parent window
+
+ :return: list of panels
+
+ """
+ ## Save a reference to the parent
+ self.parent = parent
+
+ # Return the list of panels
+ return []
+
+ def get_tools(self):
+ """
+ Returns a set of menu entries for tools
+ """
+ return []
+
+ def get_context_menu(self, plotpanel=None):
+ """
+ This method is optional.
+
+ When the context menu of a plot is rendered, the
+ get_context_menu method will be called to give you a
+ chance to add a menu item to the context menu.
+
+ A ref to a plotpanel object is passed so that you can
+ investigate the plot content and decide whether you
+ need to add items to the context menu.
+
+ This method returns a list of menu items.
+ Each item is itself a list defining the text to
+ appear in the menu, a tool-tip help text, and a
+ call-back method.
+
+ :param graph: the Graph object to which we attach the context menu
+
+ :return: a list of menu items with call-back function
+ """
+ return []
+
+ def get_perspective(self):
+ """
+ Get the list of panel names for this perspective
+ """
+ return self.perspective
+
+ def on_perspective(self, event=None):
+ """
+ Call back function for the perspective menu item.
+ We notify the parent window that the perspective
+ has changed.
+
+ :param event: menu event
+ """
+ old_frame = None
+ old_persp = self.parent.get_current_perspective()
+ if old_persp != None:
+ old_frame = old_persp.get_frame()
+ self.parent.check_multimode(self)
+ self.parent.set_current_perspective(self)
+ self.parent.set_perspective(self.perspective)
+
+ if self.frame != None:
+ if old_frame != None:
+ pos_x, pos_y = old_frame.GetPositionTuple()
+ self.frame.SetPosition((pos_x, pos_y))
+ if not self.frame.IsShown():
+ self.frame.Show(True)
+
+ def set_batch_selection(self, flag):
+ """
+ the plugin to its batch state if flag is True
+ """
+ self.batch_on = flag
+ self.on_batch_selection(self.batch_on)
+
+ def on_batch_selection(self, flag):
+ """
+ need to be overwritten by the derivated class
+ """
+
+ def post_init(self):
+ """
+ Post initialization call back to close the loose ends
+ """
+ pass
+
+ def set_state(self, state=None, datainfo=None):
+ """
+ update state
+ """
+
+ def set_data(self, data_list=None):
+ """
+ receive a list of data and use it in the current perspective
+ """
+
+ def set_theory(self, theory_list=None):
+ """
+ :param theory_list: list of information
+ related to available theory state
+ """
+ msg = "%s plugin: does not support import theory" % str(self.sub_menu)
+ raise ValueError, msg
+
+ def on_set_state_helper(self, event):
+ """
+ update state
+ """
+
diff --git a/src/sas/sasgui/guiframe/proxy.py b/src/sas/sasgui/guiframe/proxy.py
new file mode 100644
index 0000000..f6bfb7c
--- /dev/null
+++ b/src/sas/sasgui/guiframe/proxy.py
@@ -0,0 +1,158 @@
+#!/usr/bin/env python
+# -*- coding: utf-8 -*-
+import urllib2
+import sys
+import json
+import logging
+import re
+
+'''
+HTTP Proxy parser and Connection
+
+connect() function:
+ - auto detects proxy in windows, osx
+ - in ux systems, the http_proxy enviroment variable must be set
+ - if it fails, try to find the proxy.pac address.
+ - parses the file, and looks up for all possible proxies
+'''
+
+
+class Connection(object):
+
+ def __init__(self, url, timeout):
+ self.url = url
+ self.timeout = timeout
+
+ def _get_addresses_of_proxy_pac(self):
+ """
+ Return a list of possible auto proxy .pac files being used,
+ based on the system registry (win32) or system preferences (OSX).
+ @return: list of urls
+ """
+ pac_files = []
+ if sys.platform == 'win32':
+ try:
+ import _winreg as winreg # used from python 2.0-2.6
+ except:
+ import winreg # used from python 2.7 onwards
+ net = winreg.OpenKey(
+ winreg.HKEY_CURRENT_USER,
+ "Software\\Microsoft\\Windows\\CurrentVersion\\Internet Settings"
+ )
+ n_subs, n_vals, last_mod = winreg.QueryInfoKey(net)
+ subkeys = {}
+ for i in range(n_vals):
+ this_name, this_val, this_type = winreg.EnumValue(net, i)
+ subkeys[this_name] = this_val
+ if 'AutoConfigURL' in subkeys.keys() and len(subkeys['AutoConfigURL']) > 0:
+ pac_files.append(subkeys['AutoConfigURL'])
+ elif sys.platform == 'darwin':
+ import plistlib
+ sys_prefs = plistlib.readPlist(
+ '/Library/Preferences/SystemConfiguration/preferences.plist')
+ networks = sys_prefs['NetworkServices']
+ # loop through each possible network (e.g. Ethernet, Airport...)
+ for network in networks.items():
+ # the first part is a long identifier
+ net_key, network = network
+ if 'ProxyAutoConfigURLString' in network['Proxies'].keys():
+ pac_files.append(
+ network['Proxies']['ProxyAutoConfigURLString'])
+ return list(set(pac_files)) # remove redundant ones
+
+ def _parse_proxy_pac(self, pac_urls_list):
+ '''
+ For every pac file url in pac_urls_list, it tryes to connect.
+ If the connection is successful parses the file in search for
+ http proxies.
+ @param pac_urls_list: List with urls for the pac files
+ @return: list with all found http proxies
+ '''
+ proxy_url_list = []
+ for this_pac_url in pac_urls_list:
+ logging.debug('Trying pac file (%s)...' % this_pac_url)
+ try:
+ response = urllib2.urlopen(
+ this_pac_url, timeout=self.timeout)
+ logging.debug('Succeeded (%s)...' % this_pac_url)
+ except Exception:
+ logging.debug('Failled (%s)...' % this_pac_url)
+ continue
+ pacStr = response.read()
+ possProxies = re.findall(
+ r"PROXY\s([^\s;,:]+:[0-9]{1,5})[^0-9]", pacStr + '\n')
+ for thisPoss in possProxies:
+ prox_url = 'http://' + thisPoss
+ proxy_dic = {'http': prox_url}
+ proxy_url_list.append(proxy_dic)
+ return proxy_url_list
+
+ def _set_proxy(self,proxy_dic=None):
+ '''
+ Sets connection proxy.
+ if proxy_dic is None get's teh proxy from the system.
+ To disable autodetected proxy pass an empty dictionary: {}
+ @param proxy_dic: format: {'http': 'http://www.example.com:3128/'}
+ '''
+ if proxy_dic is None:
+ # The default is to read the list of proxies from the environment variables <protocol>_proxy.
+ # If no proxy environment variables are set, then in a Windows environment proxy settings are
+ # obtained from the registry's Internet Settings section, and in a Mac OS X environment proxy
+ # information is retrieved from the OS X System Configuration
+ # Framework.
+ proxy = urllib2.ProxyHandler()
+ else:
+ # If proxies is given, it must be a dictionary mapping protocol names to
+ # URLs of proxies.
+ proxy = urllib2.ProxyHandler(proxy_dic)
+ opener = urllib2.build_opener(proxy)
+ urllib2.install_opener(opener)
+
+
+
+
+ def connect(self):
+ '''
+ Performs the request and gets a response from self.url
+ @return: response object from urllib2.urlopen
+ '''
+ req = urllib2.Request(self.url)
+ response = None
+ try:
+ logging.debug("Trying Direct connection to %s..."%self.url)
+ response = urllib2.urlopen(req, timeout=self.timeout)
+ except Exception, e:
+ logging.debug("Failed!")
+ logging.debug(e)
+ try:
+ logging.debug("Trying to use system proxy if it exists...")
+ self._set_proxy()
+ response = urllib2.urlopen(req, timeout=self.timeout)
+ except Exception, e:
+ logging.debug("Failed!")
+ logging.debug(e)
+ pac_urls = self._get_addresses_of_proxy_pac()
+ proxy_urls = self._parse_proxy_pac(pac_urls)
+ for proxy in proxy_urls:
+ try:
+ logging.debug("Trying to use the proxy %s found in proxy.pac configuration"%proxy)
+ self._set_proxy(proxy)
+ response = urllib2.urlopen(req, timeout=self.timeout)
+ except Exception, e:
+ logging.debug("Failed!")
+ logging.debug(e)
+ if response is not None:
+ logging.debug("The connection to %s was successful."%self.url)
+ else:
+ logging.warning("Connection to %s failed..."%self.url)
+ return response
+
+
+if __name__ == "__main__":
+ from pprint import pprint
+ c = Connection()
+ response = c.connect()
+ if response is not None:
+ print 50 * '-'
+ content = json.loads(response.read().strip())
+ pprint(content)
diff --git a/src/sas/sasgui/guiframe/report_dialog.py b/src/sas/sasgui/guiframe/report_dialog.py
new file mode 100644
index 0000000..0fc747a
--- /dev/null
+++ b/src/sas/sasgui/guiframe/report_dialog.py
@@ -0,0 +1,139 @@
+"""
+ Base class for reports. Child classes will need to implement
+ the onSave() method.
+"""
+import wx
+import logging
+import sys
+import wx.html as html
+
+ISPDF = False
+if sys.platform == "win32":
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 0
+ ISPDF = True
+# For OSX and everything else
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 1
+ ISPDF = True
+
+class BaseReportDialog(wx.Dialog):
+
+ def __init__(self, report_list, *args, **kwds):
+ """
+ Initialization. The parameters added to Dialog are:
+
+ :param report_list: list of html_str, text_str, image for report
+ """
+ kwds["style"] = wx.RESIZE_BORDER|wx.DEFAULT_DIALOG_STYLE
+ super(BaseReportDialog, self).__init__(*args, **kwds)
+ kwds["image"] = 'Dynamic Image'
+
+ # title
+ self.SetTitle("Report")
+ # size
+ self.SetSize((720, 650))
+ # font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # check if tit is MAC
+ self.is_pdf = ISPDF
+ # report string
+ self.report_list = report_list
+ # wild card
+ # pdf supporting only on MAC
+ if self.is_pdf:
+ self.wild_card = ' PDF files (*.pdf)|*.pdf|'
+ self.index_offset = 0
+ else:
+ self.wild_card = ''
+ self.index_offset = 1
+ self.wild_card += 'HTML files (*.html)|*.html|'
+ self.wild_card += 'Text files (*.txt)|*.txt'
+
+ def _setup_layout(self):
+ """
+ Set up layout
+ """
+ hbox = wx.BoxSizer(wx.HORIZONTAL)
+
+ # buttons
+ button_close = wx.Button(self, wx.ID_OK, "Close")
+ button_close.SetToolTipString("Close this report window.")
+ hbox.Add(button_close)
+ button_close.SetFocus()
+
+ button_print = wx.Button(self, wx.NewId(), "Print")
+ button_print.SetToolTipString("Print this report.")
+ button_print.Bind(wx.EVT_BUTTON, self.onPrint,
+ id=button_print.GetId())
+ hbox.Add(button_print)
+
+ button_save = wx.Button(self, wx.NewId(), "Save")
+ button_save.SetToolTipString("Save this report.")
+ button_save.Bind(wx.EVT_BUTTON, self.onSave, id=button_save.GetId())
+ hbox.Add(button_save)
+
+ # panel for report page
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ # html window
+ self.hwindow = html.HtmlWindow(self, style=wx.BORDER)
+ # set the html page with the report string
+ self.hwindow.SetPage(self.report_html)
+
+ # add panels to boxsizers
+ vbox.Add(hbox)
+ vbox.Add(self.hwindow, 1, wx.EXPAND|wx.ALL,0)
+
+ self.SetSizer(vbox)
+ self.Centre()
+ self.Show(True)
+
+ def onPreview(self, event=None):
+ """
+ Preview
+ : event: Preview button event
+ """
+ previewh = html.HtmlEasyPrinting(name="Printing", parentWindow=self)
+ previewh.PreviewText(self.report_html)
+
+ def onPrint(self, event=None):
+ """
+ Print
+ : event: Print button event
+ """
+ printh = html.HtmlEasyPrinting(name="Printing", parentWindow=self)
+ printh.PrintText(self.report_html)
+
+ def OnClose(self, event=None):
+ """
+ Close the Dialog
+ : event: Close button event
+ """
+ self.Close()
+
+ def HTML2PDF(self, data, filename):
+ """
+ Create a PDF file from html source string.
+ Returns True is the file creation was successful.
+ : data: html string
+ : filename: name of file to be saved
+ """
+ try:
+ from xhtml2pdf import pisa
+ # open output file for writing (truncated binary)
+ resultFile = open(filename, "w+b")
+ # convert HTML to PDF
+ pisaStatus = pisa.CreatePDF(data, dest=resultFile)
+ # close output file
+ resultFile.close()
+ self.Update()
+ return pisaStatus.err
+ except:
+ logging.error("Error creating pdf: %s" % sys.exc_value)
+ return False
+
diff --git a/src/sas/sasgui/guiframe/startup_configuration.py b/src/sas/sasgui/guiframe/startup_configuration.py
new file mode 100644
index 0000000..76d6f29
--- /dev/null
+++ b/src/sas/sasgui/guiframe/startup_configuration.py
@@ -0,0 +1,216 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+import wx
+import os
+import sys
+import copy
+#import sas.sasgui.guiframe.gui_manager as gui
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME
+from sas.sasgui.guiframe import gui_manager as CURRENT
+from sas.sasgui.guiframe.customdir import SetupCustom
+# default configuration
+DEFAULT_STRINGS = {'GUIFRAME_WIDTH':-1,
+ 'GUIFRAME_HEIGHT':-1,
+ 'CONTROL_WIDTH':-1,
+ 'CONTROL_HEIGHT':-1,
+ 'PLOPANEL_WIDTH':-1,
+ 'DATAPANEL_WIDTH':-1,
+ 'DATALOADER_SHOW':True,
+ 'TOOLBAR_SHOW':True,
+ 'FIXED_PANEL':True,
+ 'WELCOME_PANEL_SHOW':False,
+ 'CLEANUP_PLOT':False,
+ 'DEFAULT_PERSPECTIVE':'Fitting',
+ 'DEFAULT_OPEN_FOLDER': None,
+ 'SAS_OPENCL': None}
+try:
+ CURRENT_STRINGS = {'GUIFRAME_WIDTH':CURRENT.GUIFRAME_WIDTH,
+ 'GUIFRAME_HEIGHT':CURRENT.GUIFRAME_HEIGHT,
+ 'CONTROL_WIDTH':CURRENT.CONTROL_WIDTH,
+ 'CONTROL_HEIGHT':CURRENT.CONTROL_HEIGHT,
+ 'PLOPANEL_WIDTH':CURRENT.PLOPANEL_WIDTH,
+ 'DATAPANEL_WIDTH':CURRENT.DATAPANEL_WIDTH,
+ 'DATALOADER_SHOW':CURRENT.DATALOADER_SHOW,
+ 'TOOLBAR_SHOW':CURRENT.TOOLBAR_SHOW,
+ 'FIXED_PANEL':CURRENT.FIXED_PANEL,
+ 'WELCOME_PANEL_SHOW':CURRENT.WELCOME_PANEL_SHOW,
+ 'CLEANUP_PLOT':CURRENT.CLEANUP_PLOT,
+ 'DEFAULT_PERSPECTIVE':CURRENT.DEFAULT_PERSPECTIVE,
+ 'DEFAULT_OPEN_FOLDER':CURRENT.DEFAULT_OPEN_FOLDER,
+ 'SAS_OPENCL': None}
+except:
+ CURRENT_STRINGS = DEFAULT_STRINGS
+FONT_VARIANT = 0
+PANEL_WIDTH = 285
+PANEL_HEIGHT = 215
+
+"""
+Dialog to set Appication startup configuration
+"""
+class StartupConfiguration(wx.Dialog):
+ """
+ Dialog for Startup Configuration
+ """
+ def __init__(self, parent, gui, id=-1, title="Startup Setting"):
+ wx.Dialog.__init__(self, parent, id, title,
+ size=(PANEL_WIDTH, PANEL_HEIGHT))
+ # parent
+ self.parent = parent
+ self.path = SetupCustom().find_dir()
+ self._gui = gui
+ # font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.current_string = copy.deepcopy(CURRENT_STRINGS)
+ self.return_string = copy.deepcopy(DEFAULT_STRINGS)
+ # build layout
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ title_text = wx.StaticText(self, id=wx.NewId(), label='Set interface configuration')
+
+ default_bt = wx.RadioButton(self, -1, 'Default View', (15, 30),
+ style=wx.RB_GROUP)
+ default_bt.Bind(wx.EVT_RADIOBUTTON, self.OnDefault)
+ default_bt.SetValue(True)
+ current_bt = wx.RadioButton(self, -1, 'Current View', (15, 55))
+ current_bt.SetValue(False)
+ current_bt.Bind(wx.EVT_RADIOBUTTON, self.OnCurrent)
+ msg = "\nThis new configuration will take effect when\n"
+ msg += "running this application next time."
+ note_txt = wx.StaticText(self, -1, msg, (15, 75))
+ note_txt.SetForegroundColour("black")
+
+ hbox = wx.BoxSizer(wx.HORIZONTAL)
+ okButton = wx.Button(self, wx.ID_OK, 'Set', size=(70, 25))
+ closeButton = wx.Button(self,wx.ID_CANCEL, 'Cancel', size=(70, 25))
+ hbox.Add(closeButton, 1, wx.RIGHT, 5)
+ hbox.Add(okButton, 1, wx.RIGHT, 5)
+
+ vbox.Add(title_text, 0, wx.ALIGN_CENTER | wx.TOP | wx.BOTTOM, 10)
+ vbox.Add(default_bt, 0, wx.LEFT, 20)
+ vbox.Add(current_bt, 0, wx.LEFT, 20)
+ vbox.Add(note_txt, 0, wx.ALIGN_CENTER | wx.TOP | wx.BOTTOM, 10)
+ vbox.Add(hbox, 0, wx.ALIGN_CENTER | wx.TOP | wx.BOTTOM, 10)
+
+ self.SetSizer(vbox)
+
+
+ def OnDefault(self, event=None):
+ """
+ Set to default
+ """
+ event.Skip()
+ # event object and selection
+ self.return_string = copy.deepcopy(DEFAULT_STRINGS)
+ return self.return_string
+
+ def OnCurrent(self, event=None):
+ """
+ Set to curent setup
+ """
+ event.Skip()
+ if self.parent.IsMaximized():
+ gui_pw, gui_ph = (0, 0)
+ else:
+ gui_pw, gui_ph = self.parent.get_window_size()
+ self.current_string['GUIFRAME_WIDTH'] = gui_pw
+ self.current_string['GUIFRAME_HEIGHT'] = gui_ph
+ try:
+ p_size = None
+ for panel in self.parent.plot_panels.values():
+ #p_panel = self.parent._mgr.GetPane(panel.window_name)
+ width, _ = panel.frame.GetSizeTuple()
+ if panel.frame.IsShown():
+ if p_size == None or width > p_size:
+ p_size = width
+ if p_size == None:
+ p_size = CURRENT_STRINGS['PLOPANEL_WIDTH']
+ self.current_string['PLOPANEL_WIDTH'] = p_size
+
+ try:
+ control_frame = self.parent.get_current_perspective().frame
+ control_w, control_h = control_frame.GetSizeTuple()
+ self.current_string['CONTROL_WIDTH'] = control_w
+ self.current_string['CONTROL_HEIGHT'] = control_h
+ except:
+ self.current_string['CONTROL_WIDTH'] = -1
+ self.current_string['CONTROL_HEIGHT'] = -1
+
+ data_pw, _ = self.parent.panels["data_panel"].frame.GetSizeTuple()
+ if data_pw == None:
+ data_pw = CURRENT_STRINGS['DATAPANEL_WIDTH']
+ self.current_string['DATAPANEL_WIDTH'] = data_pw
+
+ #label = self.parent._data_panel_menu.GetText()
+ label = self.parent.panels['data_panel'].frame.IsShown()
+ if label:# == 'Hide Data Explorer':
+ self.current_string['DATALOADER_SHOW'] = True
+ else:
+ self.current_string['DATALOADER_SHOW'] = False
+
+ if self.parent._toolbar.IsShown():
+ self.current_string['TOOLBAR_SHOW'] = True
+ else:
+ self.current_string['TOOLBAR_SHOW'] = False
+
+ style = self._gui & GUIFRAME.FLOATING_PANEL
+ if style == GUIFRAME.FLOATING_PANEL:
+ self.current_string['FIXED_PANEL'] = False
+ else:
+ self.current_string['FIXED_PANEL'] = True
+
+ if self.parent.panels['default'].frame.IsShown():
+ self.current_string['WELCOME_PANEL_SHOW'] = True
+ else:
+ self.current_string['WELCOME_PANEL_SHOW'] = False
+ self.current_string['CLEANUP_PLOT'] = \
+ self.parent.cleanup_plots
+ perspective = self.parent.get_current_perspective()
+ self.current_string['DEFAULT_PERSPECTIVE'] =\
+ str(perspective.sub_menu)
+ location = ''
+ temp = self.parent._default_save_location.split("\\")
+ for strings in temp:
+ location += (strings + "/")
+ self.current_string['DEFAULT_OPEN_FOLDER'] = location
+ #self.parent._default_save_location.ascii_letters
+
+ except:
+ raise
+ # event object and selection
+ self.return_string = self.current_string
+ return self.return_string
+
+ def write_custom_config(self):
+ """
+ Write custom configuration
+ """
+ fname = os.path.join(self.path, 'custom_config.py')
+ self.write_string(fname, self.return_string)
+
+ def write_string(self, fname, strings):
+ """
+ Write and Save file
+ """
+
+ try:
+ out_f = open(fname,'w')
+ except :
+ raise #RuntimeError, "Error: Can not change the configuration..."
+ out_f.write("#Application appearance custom configuration\n" )
+ for key, item in strings.iteritems():
+ if (key == 'DEFAULT_PERSPECTIVE') or \
+ (key == 'DEFAULT_OPEN_FOLDER' and item != None):
+ out_f.write("%s = \"%s\"\n" % (key,str(item)))
+ else:
+ out_f.write("%s = %s\n" % (key,str(item)))
+
+ out_f.close()
+
\ No newline at end of file
diff --git a/src/sas/sasgui/guiframe/utils.py b/src/sas/sasgui/guiframe/utils.py
new file mode 100644
index 0000000..515495b
--- /dev/null
+++ b/src/sas/sasgui/guiframe/utils.py
@@ -0,0 +1,213 @@
+"""
+Contains common classes and functions
+"""
+import wx
+import re
+
+def parse_name(name, expression):
+ """
+ remove "_" in front of a name
+ """
+ if re.match(expression, name) is not None:
+ word = re.split(expression, name, 1)
+ for item in word:
+ if item.lstrip().rstrip() != '':
+ return item
+ else:
+ return name
+def format_number(value, high=False):
+ """
+ Return a float in a standardized, human-readable formatted string
+ """
+ try:
+ value = float(value)
+ except:
+ output = "NaN"
+ return output.lstrip().rstrip()
+ if high:
+ output = "%-7.5g" % value
+ else:
+ output = "%-5.3g" % value
+ return output.lstrip().rstrip()
+
+def check_float(item):
+ """
+ :param item: txtcrtl containing a value
+ """
+ flag = True
+ try:
+ mini = float(item.GetValue())
+ item.SetBackgroundColour(wx.WHITE)
+ item.Refresh()
+ except:
+ flag = False
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ return flag
+
+
+def check_int(item):
+ """
+ :param item: txtcrtl containing a value
+ """
+ flag = True
+ try:
+ mini = int(item.GetValue())
+ item.SetBackgroundColour(wx.WHITE)
+ item.Refresh()
+ except:
+ flag = False
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ return flag
+
+
+class PanelMenu(wx.Menu):
+ """
+ """
+ plots = None
+ graph = None
+
+ def set_plots(self, plots):
+ """
+ """
+ self.plots = plots
+
+ def set_graph(self, graph):
+ """
+ """
+ self.graph = graph
+
+
+def split_list(separator, mylist, n=0):
+ """
+ returns a list of string without white space of separator
+
+ :param separator: the string to remove
+
+ """
+ list = []
+ for item in mylist:
+ if re.search(separator,item)!= None:
+ if n > 0:
+ word = re.split(separator, item, int(n))
+ else:
+ word = re.split(separator, item)
+ for new_item in word:
+ if new_item.lstrip().rstrip() != '':
+ list.append(new_item.lstrip().rstrip())
+ return list
+
+def split_text(separator, string1, n=0):
+ """
+ return a list of string without white space of separator
+
+ :param separator: the string to remove
+
+ """
+ list = []
+ if re.search(separator, string1) is not None:
+ if n > 0:
+ word = re.split(separator,string1,int(n))
+ else:
+ word = re.split(separator,string1)
+ for item in word:
+ if item.lstrip().rstrip() != '':
+ list.append(item.lstrip().rstrip())
+ return list
+
+def look_for_tag(string1, begin, end=None):
+ """
+ this method remove the begin and end tags given by the user
+ from the string .
+
+ :param begin: the initial tag
+ :param end: the final tag
+ :param string: the string to check
+
+ :return: begin_flag==True if begin was found,
+ end_flag==if end was found else return false, false
+
+ """
+ begin_flag = False
+ end_flag = False
+ if re.search(begin,string1) is not None:
+ begin_flag = True
+ if end is not None:
+ if re.search(end,string1) is not None:
+ end_flag = True
+ return begin_flag, end_flag
+
+class IdList:
+ """
+ Create a list of wx ids that can be reused.
+
+ Ids for items need to be unique within their context. In a dynamic
+ application where the number of ids needed different each time the
+ form is created, depending for example, on the number of items that
+ need to be shown in the context menu, you cannot preallocate the
+ ids that you are going to use for the form. Instead, you can use
+ an IdList, which will reuse ids from context to context, adding new
+ ones if the new context requires more than a previous context.
+
+ IdList is set up as an iterator, which returns new ids forever
+ or until it runs out. This makes it pretty useful for defining
+ menus::
+
+ class Form(wx.Dialog):
+ _form_id_pool = IdList()
+ def __init__(self):
+ ...
+ menu = wx.Menu()
+ for item, wx_id in zip(menu_items, self._form_id_pool):
+ name, description, callback = item
+ menu.Append(wx_id, name, description)
+ wx.EVT_MENU(self, wx_id, callback)
+ ...
+
+ It is a little unusual to use an iterator outside of a loop, but it is
+ supported. For example, when defining a form, your class definition
+ might look something like::
+
+ class Form(wx.Dialog):
+ _form_id_pool = IdList()
+ def __init__(self, pairs, ...):
+ ids = iter(_form_id_pool)
+ ...
+ wx.StaticText(self, ids.next(), "Some key-value pairs")
+ for name, value in pairs:
+ label = wx.StaticText(self, ids.next(), name)
+ input = wx.TextCtrl(self, ids.next(), value=str(value))
+ ...
+ ...
+
+ If the dialog is really dynamic, and not defined all in one place, then
+ save the id list iterator as *self._ids = iter(_form_id_pool)* in the
+ constructor.
+
+ The wx documentation is not clear on whether ids need to be unique.
+ Clearly different dialogs can use the same ids, as this is done for the
+ standard button ids such as wx.ID_HELP. Presumably each widget on the
+ form needs its own id, but whether these ids can match the ids of menu
+ items is not indicated, or whether different submenus need their own
+ ids. Using different id lists for menu items and widgets is safest,
+ but probably not necessary. And what about notebook tabs. Do the
+ ids need to be unique across all tabs?
+ """
+ def __init__(self):
+ self._ids = []
+ def __iter__(self):
+ return _IdListIterator(self)
+ def __getitem__(self, index):
+ while index >= len(self._ids):
+ self._ids.append(wx.NewId())
+ return self._ids[index]
+
+class _IdListIterator:
+ def __init__(self, id_list):
+ self.id_list = id_list
+ self.index = -1
+ def next(self):
+ self.index += 1
+ return self.id_list[self.index]
+
diff --git a/src/sas/sasgui/perspectives/__init__.py b/src/sas/sasgui/perspectives/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sasgui/perspectives/calculator/__init__.py b/src/sas/sasgui/perspectives/calculator/__init__.py
new file mode 100644
index 0000000..46406dd
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/__init__.py
@@ -0,0 +1,47 @@
+PLUGIN_ID = "Calculator plug-in 1.0"
+import os
+from distutils.filelist import findall
+from calculator import *
+N_DIR = 12
+def get_data_path(media):
+ """
+ """
+ # Check for data path in the package
+ path = os.path.join(os.path.dirname(__file__), media)
+ if os.path.isdir(path):
+ return path
+ # Check for data path next to exe/zip file.
+ # If we are inside a py2exe zip file, we need to go up
+ # two levels to get to the directory containing the exe
+ # We will check if the exe and the xsf are in the same
+ # directory.
+ path = os.path.dirname(__file__)
+ #Look for maximum n_dir up of the current dir to find media
+
+ #for i in range(n_dir):
+ i = 0
+ while(i < N_DIR):
+ path, _ = os.path.split(path)
+ media_path = os.path.join(path, media)
+ if os.path.isdir(media_path):
+ module_media_path = os.path.join(media_path,'calculator_%s'% media)
+ if os.path.isdir(module_media_path):
+ return module_media_path
+ return media_path
+ i += 1
+
+ raise RuntimeError('Could not find calculator media files')
+
+def data_files():
+ """
+ Return the data files associated with media calculator.
+
+ The format is a list of (directory, [files...]) pairs which can be
+ used directly in setup(...,data_files=...) for setup.py.
+
+ """
+ data_files = []
+ path = get_data_path(media="media")
+ for f in findall(path):
+ data_files.append(('media/calculator_media', [f]))
+ return data_files
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/calculator/aperture_editor.py b/src/sas/sasgui/perspectives/calculator/aperture_editor.py
new file mode 100644
index 0000000..392f3a0
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/aperture_editor.py
@@ -0,0 +1,378 @@
+
+import wx
+import sys
+from copy import deepcopy
+from sas.sasgui.guiframe.utils import check_float
+
+_BOX_WIDTH = 60
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 290
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 320
+ FONT_VARIANT = 1
+
+class ApertureDialog(wx.Dialog):
+ def __init__(self, parent=None, manager=None, aperture=None, *args, **kwds):
+ """
+ Dialog allows to enter values for aperture
+ """
+ kwds['size'] = (PANEL_WIDTH, PANEL_HEIGHT)
+ kwds['title'] = "Aperture Editor"
+ wx.Dialog.__init__(self, parent=parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self._aperture = aperture
+ self._reset_aperture = deepcopy(aperture)
+ self._notes = ""
+
+ #Attributes for panel
+ self.aperture_name_tcl = None
+ self.main_sizer = None
+ self.box_aperture = None
+ self.boxsizer_aperture = None
+ self.name_sizer = None
+ self.name_sizer = None
+ self.size_name_tcl = None
+ self.type_sizer = None
+ self.distance_sizer = None
+ self.size_name_sizer = None
+ self.aperture_size_unit_tcl = None
+ self.aperture_size_sizer = None
+ self.button_sizer = None
+ self.aperture_name_tcl = None
+ self.type_tcl = None
+ self.distance_tcl = None
+ self.distance_unit_tcl = None
+ self.x_aperture_size_tcl = None
+ self.y_aperture_size_tcl = None
+ self.z_aperture_size_tcl = None
+ self.bt_apply = None
+ self.bt_cancel = None
+ self.bt_close = None
+
+ self._do_layout()
+ self.set_values()
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_aperture = wx.StaticBox(self, -1, str("Aperture"))
+ self.boxsizer_aperture = wx.StaticBoxSizer(self.box_aperture, wx.VERTICAL)
+ self.name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.type_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.distance_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.size_name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.aperture_size_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_name(self):
+ """
+ Do the layout for aperture name related widgets
+ """
+ #Aperture name [string]
+ aperture_name_txt = wx.StaticText(self, -1, 'Aperture Name : ')
+ self.aperture_name_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 5, 20), style=0)
+ self.name_sizer.AddMany([(aperture_name_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.aperture_name_tcl, 0, wx.EXPAND)])
+ def _layout_type(self):
+ """
+ Do the layout for aperture type related widgets
+ """
+ #Aperture type [string]
+ type_txt = wx.StaticText(self, -1, 'Type: ')
+ self.type_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ self.type_sizer.AddMany([(type_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.type_tcl, 0, wx.LEFT, 20)])
+
+ def _layout_distance(self):
+ """
+ Do the layout for aperture distance related widgets
+ """
+ #Aperture distance [float]
+ distance_txt = wx.StaticText(self, -1, 'Distance:')
+ self.distance_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0)
+ distance_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.distance_unit_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ self.distance_sizer.AddMany([(distance_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.distance_tcl, 0, wx.LEFT, 10),
+ (distance_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.distance_unit_tcl, 0, wx.EXPAND)])
+ def _layout_size_name(self):
+ """
+ Do the layout for size name related widgets
+ """
+ # Size name [string]
+ size_name_txt = wx.StaticText(self, -1, 'Size Name : ')
+ self.size_name_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 5, 20), style=0)
+ self.size_name_sizer.AddMany([(size_name_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.size_name_tcl, 0, wx.EXPAND)])
+
+ def _layout_size(self):
+ """
+ Do the layout for aperture size related widgets
+ """
+ #Aperture size [Vector]
+ aperture_size_txt = wx.StaticText(self, -1, 'Size:')
+ x_aperture_size_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_aperture_size_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ y_aperture_size_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_aperture_size_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ z_aperture_size_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_aperture_size_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ aperture_size_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.aperture_size_unit_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ self.aperture_size_sizer.AddMany([(aperture_size_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (x_aperture_size_txt, 0, wx.LEFT, 17),
+ (self.x_aperture_size_tcl, 0, wx.RIGHT, 10),
+ (y_aperture_size_txt, 0, wx.EXPAND),
+ (self.y_aperture_size_tcl, 0, wx.RIGHT, 10),
+ (z_aperture_size_txt, 0, wx.EXPAND),
+ (self.z_aperture_size_tcl, 0, wx.RIGHT, 10),
+ (aperture_size_unit_txt, 0, wx.EXPAND),
+ (self.aperture_size_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, 'Apply')
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+ self.bt_apply.SetToolTipString("Apply current changes to aperture.")
+ self.bt_cancel = wx.Button(self, -1, 'Cancel')
+ self.bt_cancel.SetToolTipString("Cancel current changes.")
+ self.bt_cancel.Bind(wx.EVT_BUTTON, self.on_click_cancel)
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.SetToolTipString("Close window.")
+ self.button_sizer.AddMany([(self.bt_apply, 0, wx.LEFT, 200),
+ (self.bt_cancel, 0, wx.LEFT, 10),
+ (self.bt_close, 0, wx.LEFT, 10)])
+
+ def _do_layout(self):#, data=None):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_name()
+ self._layout_type()
+ self._layout_distance()
+ self._layout_size_name()
+ self._layout_size()
+ self._layout_button()
+ self.boxsizer_aperture.AddMany([(self.name_sizer, 0, wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.type_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.distance_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.size_name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.aperture_size_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.main_sizer.AddMany([(self.boxsizer_aperture, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def set_manager(self, manager):
+ """
+ Set manager of this window
+ """
+ self.manager = manager
+
+ def reset_aperture(self):
+ """
+ put the default value of the detector back to the current aperture
+ """
+ self._aperture.name = self._reset_aperture.name
+ self._aperture.type = self._reset_aperture.type
+ self._aperture.size_name = self._reset_aperture.size_name
+ self._aperture.size.x = self._reset_aperture.size.x
+ self._aperture.size.y = self._reset_aperture.size.y
+ self._aperture.size.z = self._reset_aperture.size.z
+ self._aperture.size_unit = self._reset_aperture.size_unit
+ self._aperture.distance = self._reset_aperture.distance
+ self._aperture.distance_unit = self._reset_aperture.distance_unit
+
+ def set_values(self):
+ """
+ take the aperture values of the current data and display them
+ through the panel
+ """
+ aperture = self._aperture
+ #Name
+ self.aperture_name_tcl.SetValue(str(aperture.name))
+ #Type
+ self.type_tcl.SetValue(str(aperture.type))
+ #distance
+ self.distance_tcl.SetValue(str(aperture.distance))
+ #distance unit
+ self.distance_unit_tcl.SetValue(str(aperture.distance_unit))
+ #Size name
+ self.size_name_tcl.SetValue(str(aperture.size_name))
+ #Aperture size as a vector
+ x, y, z = aperture.size.x, aperture.size.y, aperture.size.z
+ self.x_aperture_size_tcl.SetValue(str(x))
+ self.y_aperture_size_tcl.SetValue(str(y))
+ self.z_aperture_size_tcl.SetValue(str(z))
+ self.aperture_size_unit_tcl.SetValue(str(aperture.size_unit))
+
+ def get_aperture(self):
+ """
+ return the current aperture
+ """
+ return self._aperture
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_name(self):
+ """
+ Change name
+ """
+ #Change the name of the aperture
+ name = self.aperture_name_tcl.GetValue().lstrip().rstrip()
+ if name == "":
+ name = str(None)
+ if self._aperture.name != name:
+ self._notes += "Change sample 's "
+ self._notes += "name from %s to %s \n" % (self._aperture.name, name)
+ self._aperture.name = name
+
+ def on_change_type(self):
+ """
+ Change aperture type
+ """
+ #Change type
+ type_value = self.type_tcl.GetValue().lstrip().rstrip()
+ self._aperture.type = type_value
+ self._notes += " Change type from"
+ self._notes += " %s to %s \n" % (self._aperture.type, type_value)
+
+ def on_change_distance(self):
+ """
+ Change distance of the aperture
+ """
+ #Change distance
+ distance = self.distance_tcl.GetValue().lstrip().rstrip()
+ if distance == "" or distance == str(None):
+ distance = None
+ self._aperture.distance = distance
+ else:
+ if check_float(self.distance_tcl):
+ if self._aperture.distance != float(distance):
+ self._notes += "Change distance from "
+ self._notes += "%s to %s \n" % (self._aperture.distance, distance)
+ self._aperture.distance = float(distance)
+ else:
+ self._notes += "Error: Expected a float for distance "
+ self._notes += "won't changes distance from "
+ self._notes += "%s to %s" % (self._aperture.distance, distance)
+ #change the distance unit
+ unit = self.distance_unit_tcl.GetValue().lstrip().rstrip()
+ if self._aperture.distance_unit != unit:
+ self._notes += " Change distance 's unit from "
+ self._notes += "%s to %s" % (self._aperture.distance_unit, unit)
+
+ def on_change_size_name(self):
+ """
+ Change the size's name
+ """
+ #Change size name
+ size_name = self.size_name_tcl.GetValue().lstrip().rstrip()
+ self._aperture.size_name = size_name
+ self._notes += " Change size name from"
+ self._notes += " %s to %s \n" % (self._aperture.size_name, size_name)
+
+ def on_change_size(self):
+ """
+ Change aperture size
+ """
+ #Change x coordinate
+ x_aperture_size = self.x_aperture_size_tcl.GetValue().lstrip().rstrip()
+ if x_aperture_size == "" or x_aperture_size == str(None):
+ x_aperture_size = None
+ else:
+ if check_float(self.x_aperture_size_tcl):
+ if self._aperture.size.x != float(x_aperture_size):
+ self._notes += "Change x of aperture size from "
+ self._notes += "%s to %s \n" % (self._aperture.size.x, x_aperture_size)
+ self._aperture.aperture_size.x = float(x_aperture_size)
+ else:
+ self._notes += "Error: Expected a"
+ self._notes += " float for the aperture size 's x "
+ self._notes += "won't changes x aperture size from "
+ self._notes += "%s to %s" % (self._aperture.size.x, x_aperture_size)
+ #Change y coordinate
+ y_aperture_size = self.y_aperture_size_tcl.GetValue().lstrip().rstrip()
+ if y_aperture_size == "" or y_aperture_size == str(None):
+ y_aperture_size = None
+ self._aperture.size.y = y_aperture_size
+ else:
+ if check_float(self.y_aperture_size_tcl):
+ if self._aperture.size.y != float(y_aperture_size):
+ self._notes += "Change y of aperture size from "
+ self._notes += "%s to %s \n" % (self._aperture.size.y, y_aperture_size)
+ self._aperture.size.y = float(y_aperture_size)
+ else:
+ self._notes += "Error: Expected a float for the"
+ self._notes += " aperture size's y "
+ self._notes += "won't changes y aperture size from "
+ self._notes += "%s to %s" % (self._aperture.size.y, y_aperture_size)
+ #Change z coordinate
+ z_aperture_size = self.z_aperture_size_tcl.GetValue().lstrip().rstrip()
+ if z_aperture_size == "" or z_aperture_size == str(None):
+ z_aperture_size = None
+ self._aperture.size.z = z_aperture_size
+ else:
+ if check_float(self.z_aperture_size_tcl):
+ if self._aperture.size.z != float(z_aperture_size):
+ self._notes += "Change z of aperture size from "
+ self._notes += "%s to %s \n" % (self._aperture.size.z, z_aperture_size)
+ self._aperture.size.z = float(z_aperture_size)
+ else:
+ self._notes += "Error: Expected a float for the offset 's x "
+ self._notes += "won't changes z aperture size from "
+ self._notes += "%s to %s" % (self._aperture.size.z, z_aperture_size)
+ #change the aperture center unit
+ unit = self.aperture_size_unit_tcl.GetValue().lstrip().rstrip()
+ if self._aperture.size_unit != unit:
+ self._notes += " Change aperture size's unit from "
+ self._notes += "%s to %s" % (self._aperture.size_unit, unit)
+ self._aperture.size_unit = unit
+
+ def on_click_apply(self, event):
+ """
+ Apply user values to the aperture
+ """
+ self.on_change_name()
+ self.on_change_type()
+ self.on_change_distance()
+ self.on_change_size_name()
+ self.on_change_size()
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_aperture(self._aperture)
+ if event is not None:
+ event.Skip()
+
+ def on_click_cancel(self, event):
+ """
+ reset the current aperture to its initial values
+ """
+ self.reset_aperture()
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_aperture(self._aperture)
+ if event is not None:
+ event.Skip()
diff --git a/src/sas/sasgui/perspectives/calculator/calculator.py b/src/sas/sasgui/perspectives/calculator/calculator.py
new file mode 100644
index 0000000..3a27649
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/calculator.py
@@ -0,0 +1,233 @@
+"""
+Calculator Module
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2010, University of Tennessee
+################################################################################
+
+import wx
+from sas.sasgui.guiframe.plugin_base import PluginBase
+from sas.sasgui.perspectives.calculator.data_operator import DataOperatorWindow
+from sas.sasgui.perspectives.calculator.data_editor import DataEditorWindow
+from sas.sasgui.perspectives.calculator.kiessig_calculator_panel import KiessigWindow
+from sas.sasgui.perspectives.calculator.sld_panel import SldWindow
+from sas.sasgui.perspectives.calculator.density_panel import DensityWindow
+from sas.sasgui.perspectives.calculator.slit_length_calculator_panel \
+ import SlitLengthCalculatorWindow
+from sas.sasgui.perspectives.calculator.resolution_calculator_panel \
+ import ResolutionWindow
+from sas.sasgui.perspectives.calculator.gen_scatter_panel import SasGenWindow
+from sas.sasgui.perspectives.calculator.image_viewer import ImageView
+from sas.sasgui.perspectives.calculator.pyconsole import PyConsole
+import logging
+
+class Plugin(PluginBase):
+ """
+ This class defines the interface for a Plugin class
+ for calculator perspective
+ """
+ def __init__(self):
+ PluginBase.__init__(self, name="Calculator")
+ # Log startup
+ logging.info("Calculator plug-in started")
+ self.sub_menu = "Tool"
+ self.data_edit_frame = None
+ # data operator use one frame all the time
+ self.data_operator_frame = None
+ self.kiessig_frame = None
+ self.sld_frame = None
+ self.cal_md_frame = None
+ self.cal_slit_frame = None
+ self.cal_res_frame = None
+ self.gen_frame = None
+ self.image_view = None
+ self.py_frame = None
+
+
+ def get_tools(self):
+ """
+ Returns a set of menu entries for tools
+ """
+ data_oper_help = "Perform arithmetic data operation (+...) "
+ data_oper_help += "and combination (|)"
+ kiessig_help = "Approximately computes the "
+ kiessig_help += "thickness of a shell or the size of "
+ kiessig_help += "particles \n from the width of a Kiessig fringe."
+ sld_help = "Computes the Scattering Length Density."
+ slit_length_help = "Computes the slit length from the beam profile."
+ resolution_help = "Approximately estimates the "
+ resolution_help += "resolution of Q in 2D based on the SAS "
+ resolution_help += "instrumental parameter values."
+ mass_volume_help = "Based on the chemical formula, "
+ mass_volume_help += "compute the mass density or the molar volume."
+ gensas_help = "Generic SAS"
+ pyconsole_help = "Python Console."
+ imageviewer_help = "Load an image file and display the image."
+ #data_editor_help = "Meta Data Editor"
+ return [("Data Operation",
+ data_oper_help, self.on_data_operation),
+ ("SLD Calculator", sld_help, self.on_calculate_sld),
+ ("Density/Volume Calculator", mass_volume_help,
+ self.on_calculate_dv),
+ ("Slit Size Calculator", slit_length_help,
+ self.on_calculate_slit_size),
+ ("Kiessig Thickness Calculator",
+ kiessig_help, self.on_calculate_kiessig),
+ ("Q Resolution Estimator",
+ resolution_help, self.on_calculate_resoltuion),
+ ("Generic Scattering Calculator",
+ gensas_help, self.on_gen_model),
+ ("Python Shell/Editor", pyconsole_help, self.on_python_console),
+ ("Image Viewer", imageviewer_help, self.on_image_viewer), ]
+
+ def on_edit_data(self, event):
+ """
+ Edit meta data
+ """
+ if self.data_edit_frame == None:
+ self.data_edit_frame = DataEditorWindow(parent=self.parent,
+ manager=self, data=[],
+ title="Data Editor")
+ self.put_icon(self.data_edit_frame)
+ else:
+ self.data_edit_frame.Show(False)
+ self.data_edit_frame.Show(True)
+
+ def on_data_operation(self, event):
+ """
+ Data operation
+ """
+ if self.data_operator_frame == None:
+ # Use one frame all the time
+ self.data_operator_frame = DataOperatorWindow(parent=self.parent,
+ manager=self,
+ title="Data Operation")
+ self.put_icon(self.data_operator_frame)
+ else:
+ self.data_operator_frame.Show(False)
+ self.data_operator_frame.panel.set_panel_on_focus(None)
+ self.data_operator_frame.Show(True)
+
+ def on_calculate_kiessig(self, event):
+ """
+ Compute the Kiessig thickness
+ """
+ if self.kiessig_frame == None:
+ frame = KiessigWindow(parent=self.parent, manager=self)
+ self.put_icon(frame)
+ self.kiessig_frame = frame
+ else:
+ self.kiessig_frame.Show(False)
+ self.kiessig_frame.Show(True)
+
+ def on_calculate_sld(self, event):
+ """
+ Compute the scattering length density of molecula
+ """
+ if self.sld_frame == None:
+ frame = SldWindow(parent=self.parent,
+ base=self.parent, manager=self)
+ self.put_icon(frame)
+ self.sld_frame = frame
+ else:
+ self.sld_frame.Show(False)
+ self.sld_frame.Show(True)
+
+ def on_calculate_dv(self, event):
+ """
+ Compute the mass density or molar voulme
+ """
+ if self.cal_md_frame == None:
+ frame = DensityWindow(parent=self.parent,
+ base=self.parent, manager=self)
+ self.put_icon(frame)
+ self.cal_md_frame = frame
+ else:
+ self.cal_md_frame.Show(False)
+ self.cal_md_frame.Show(True)
+
+ def on_calculate_slit_size(self, event):
+ """
+ Compute the slit size a given data
+ """
+ if self.cal_slit_frame == None:
+ frame = SlitLengthCalculatorWindow(parent=self.parent, manager=self)
+ self.put_icon(frame)
+ self.cal_slit_frame = frame
+ else:
+ self.cal_slit_frame.Show(False)
+ self.cal_slit_frame.Show(True)
+
+ def on_calculate_resoltuion(self, event):
+ """
+ Estimate the instrumental resolution
+ """
+ if self.cal_res_frame == None:
+ frame = ResolutionWindow(parent=self.parent, manager=self)
+ self.put_icon(frame)
+ self.cal_res_frame = frame
+ else:
+ self.cal_res_frame.Show(False)
+ self.cal_res_frame.Show(True)
+
+ def on_gen_model(self, event):
+ """
+ On Generic model menu event
+ """
+ if self.gen_frame == None:
+ frame = SasGenWindow(parent=self.parent, manager=self)
+ self.put_icon(frame)
+ self.gen_frame = frame
+ else:
+ self.gen_frame.Show(False)
+ self.gen_frame.Show(True)
+
+ def on_image_viewer(self, event):
+ """
+ Get choose an image file dialog
+
+ :param event: menu event
+ """
+ self.image_view = ImageView(parent=self.parent)
+ self.image_view.load()
+
+ def on_python_console(self, event):
+ """
+ Open Python Console
+
+ :param event: menu event
+ """
+ self.get_python_panel(filename=None)
+
+ def get_python_panel(self, filename=None):
+ """
+ Get the python shell panel
+
+ :param filename: file name to open in editor
+ """
+ if self.py_frame == None:
+ frame = PyConsole(parent=self.parent, base=self,
+ filename=filename)
+ self.put_icon(frame)
+ self.py_frame = frame
+ else:
+ self.py_frame.Show(False)
+ self.py_frame.Show(True)
+
+ def put_icon(self, frame):
+ """
+ Put icon in the frame title bar
+ """
+ if hasattr(frame, "IsIconized"):
+ if not frame.IsIconized():
+ try:
+ icon = self.parent.GetIcon()
+ frame.SetIcon(icon)
+ except:
+ pass
diff --git a/src/sas/sasgui/perspectives/calculator/calculator_widgets.py b/src/sas/sasgui/perspectives/calculator/calculator_widgets.py
new file mode 100644
index 0000000..a267060
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/calculator_widgets.py
@@ -0,0 +1,97 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2009, University of Tennessee
+"""
+import wx
+import sys
+CHILD_FRAME = wx.MDIChildFrame
+if sys.platform.count("win32") < 1:
+ if sys.platform.count("darwin") < 1:
+ CHILD_FRAME = wx.Frame
+
+class InputTextCtrl(wx.TextCtrl):
+ """
+ Text control for model and fit parameters.
+ Binds the appropriate events for user interactions.
+ """
+ def __init__(self, parent=None, *args, **kwds):
+
+ wx.TextCtrl.__init__(self, parent, *args, **kwds)
+
+ ## Set to True when the mouse is clicked while the whole
+ #string is selected
+ self.full_selection = False
+ ## Call back for EVT_SET_FOCUS events
+ _on_set_focus_callback = None
+ # Bind appropriate events
+ self.Bind(wx.EVT_LEFT_UP, self._highlight_text)
+ self.Bind(wx.EVT_SET_FOCUS, self._on_set_focus)
+ self.Bind(wx.EVT_TEXT_ENTER, parent._onparamEnter)
+
+ def _on_set_focus(self, event):
+ """
+ Catch when the text control is set in focus to highlight the whole
+ text if necessary
+ @param event: mouse event
+ """
+ event.Skip()
+ self.full_selection = True
+
+ def _highlight_text(self, event):
+ """
+ Highlight text of a TextCtrl only of no text has be selected
+ @param event: mouse event
+ """
+ # Make sure the mouse event is available to other listeners
+ event.Skip()
+ control = event.GetEventObject()
+ if self.full_selection:
+ self.full_selection = False
+ # Check that we have a TextCtrl
+ if issubclass(control.__class__, wx.TextCtrl):
+ # Check whether text has been selected,
+ # if not, select the whole string
+ (start, end) = control.GetSelection()
+ if start == end:
+ control.SetSelection(-1, -1)
+
+
+class InterActiveOutputTextCtrl(wx.TextCtrl):
+ """
+ Text control used to display outputs.
+ No editing allowed. The background is
+ grayed out. User can't select text.
+ """
+ def __init__(self, *args, **kwds):
+ wx.TextCtrl.__init__(self, *args, **kwds)
+ self.SetEditable(False)
+ self.SetBackgroundColour(self.GetParent().GetBackgroundColour())
+
+class OutputTextCtrl(InterActiveOutputTextCtrl):
+ """
+ Text control used to display outputs.
+ No editing allowed. The background is
+ grayed out. User can't select text.
+ """
+ def __init__(self, *args, **kwds):
+ InterActiveOutputTextCtrl.__init__(self, *args, **kwds)
+ self.SetEditable(False)
+ self.SetBackgroundColour(self.GetParent().GetBackgroundColour())
+
+ # Bind to mouse event to avoid text highlighting
+ # The event will be skipped once the call-back
+ # is called.
+ self.Bind(wx.EVT_MOUSE_EVENTS, self._click)
+
+ def _click(self, event):
+ """
+ Prevent further handling of the mouse event
+ by not calling Skip().
+ """
+ pass
+
diff --git a/src/sas/sasgui/perspectives/calculator/collimation_editor.py b/src/sas/sasgui/perspectives/calculator/collimation_editor.py
new file mode 100644
index 0000000..8536d5b
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/collimation_editor.py
@@ -0,0 +1,547 @@
+"""
+"""
+import wx
+import sys
+from copy import deepcopy
+from sas.sascalc.dataloader.loader import Loader
+from sas.sascalc.dataloader.data_info import Aperture, Collimation
+from aperture_editor import ApertureDialog
+
+from sas.sasgui.guiframe.utils import check_float
+_BOX_WIDTH = 60
+
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 500
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 550
+ PANEL_WIDTH = 600
+ PANEL_HEIGHT = 480
+ FONT_VARIANT = 1
+
+class CollimationDialog(wx.Dialog):
+ """
+ """
+ def __init__(self, parent=None, manager=None,
+ collimation=[], *args, **kwds):
+ """
+ """
+ kwds['size'] = (PANEL_WIDTH, PANEL_HEIGHT)
+ kwds['title'] = "Collimation Editor"
+ wx.Dialog.__init__(self, parent=parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self._collimation = collimation
+ self._reset_collimation = deepcopy(collimation)
+ self._notes = ""
+ self._description = "Edit collimation"
+ #layout attributes
+ self.main_sizer = None
+ self.box_collimation = None
+ self.boxsizer_collimation = None
+
+
+ self._do_layout()
+ self.set_values()
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_collimation = wx.StaticBox(self, -1,
+ str("Edit Selected Collimation"))
+ self.boxsizer_collimation = wx.StaticBoxSizer(self.box_collimation,
+ wx.VERTICAL)
+
+ collimation_box = wx.StaticBox(self, -1, "Edit Number of Collimations")
+ self.collimation_sizer = wx.StaticBoxSizer(collimation_box, wx.VERTICAL)
+ self.collimation_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ self.collimation_button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.collimation_hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.length_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ aperture_box = wx.StaticBox(self, -1, "Edit Aperture")
+ self.aperture_sizer = wx.StaticBoxSizer(aperture_box, wx.VERTICAL)
+ self.aperture_button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.aperture_hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_collimation(self):
+ """
+ Do the layout for collimation related widgets
+ """
+ collimation_name_txt = wx.StaticText(self, -1, "Collimation:")
+ hint_collimation_txt = 'Current available collimation.'
+ collimation_name_txt.SetToolTipString(hint_collimation_txt)
+ self.collimation_cbox = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.collimation_cbox, -1, self.on_select_collimation)
+ hint_collimation_name_txt = 'Name of collimations.'
+ self.collimation_cbox.SetToolTipString(hint_collimation_name_txt)
+
+ self.bt_add_collimation = wx.Button(self, -1, "Add")
+ self.bt_add_collimation.SetToolTipString("Edit data's collimation.")
+ self.bt_add_collimation.Bind(wx.EVT_BUTTON, self.add_collimation)
+
+ self.bt_remove_collimation = wx.Button(self, -1, "Remove")
+ hint = "Remove data's collimation."
+ self.bt_remove_collimation.SetToolTipString(hint)
+ self.bt_remove_collimation.Bind(wx.EVT_BUTTON, self.remove_collimation)
+
+ self.collimation_button_sizer.AddMany([(collimation_name_txt, 0,
+ wx.LEFT, 15),
+ (self.collimation_cbox, 0, wx.LEFT, 5),
+ (self.bt_add_collimation, 0, wx.LEFT, 10),
+ (self.bt_remove_collimation,
+ 0, wx.LEFT, 5)])
+ collimation_hint_txt = 'No collimation is available for this data.'
+ self.collimation_txt = wx.StaticText(self, -1, collimation_hint_txt)
+ self.collimation_hint_sizer.Add(self.collimation_txt, 0, wx.LEFT, 10)
+ self.collimation_sizer.AddMany([(self.collimation_button_sizer,
+ 0, wx.ALL, 10),
+ (self.collimation_hint_sizer,
+ 0, wx.ALL, 10)])
+
+ self.fill_collimation_combox()
+ self.enable_collimation()
+
+
+ def _layout_name(self):
+ """
+ Do the layout for collimation name related widgets
+ """
+ #Collimation name [string]
+ name_txt = wx.StaticText(self, -1, 'Name : ')
+ self.name_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 5, 20), style=0)
+ self.name_sizer.AddMany([(name_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.name_tcl, 0, wx.EXPAND)])
+
+ def _layout_length(self):
+ """
+ Do the layout for length related widgets
+ """
+ #Collimation length
+ length_txt = wx.StaticText(self, -1, 'Length:')
+ self.length_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ length_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.length_unit_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0)
+ self.length_sizer.AddMany([(length_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.length_tcl, 0, wx.LEFT, 12),
+ (length_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.length_unit_tcl, 0, wx.EXPAND)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, 'Apply')
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+ self.bt_apply.SetToolTipString("Apply current changes to collimation.")
+ self.bt_cancel = wx.Button(self, -1, 'Cancel')
+ self.bt_cancel.SetToolTipString("Cancel current changes.")
+ self.bt_cancel.Bind(wx.EVT_BUTTON, self.on_click_cancel)
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.SetToolTipString("Close window.")
+ self.button_sizer.AddMany([(self.bt_apply, 0, wx.LEFT, 200),
+ (self.bt_cancel, 0, wx.LEFT, 10),
+ (self.bt_close, 0, wx.LEFT, 10)])
+ def _layout_aperture(self):
+ """
+ Do the layout for aperture related widgets
+ """
+ aperture_name_txt = wx.StaticText(self, -1, "Aperture:")
+ hint_aperture_txt = 'Current available aperture.'
+ aperture_name_txt.SetToolTipString(hint_aperture_txt)
+ self.aperture_cbox = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ hint_aperture_name_txt = 'Name of apertures.'
+ self.aperture_cbox.SetToolTipString(hint_aperture_name_txt)
+
+ self.bt_add_aperture = wx.Button(self, -1, "Add")
+ self.bt_add_aperture.SetToolTipString("Edit data's aperture.")
+ self.bt_add_aperture.Bind(wx.EVT_BUTTON, self.add_aperture)
+ self.bt_edit_aperture = wx.Button(self, -1, "Edit")
+ self.bt_edit_aperture.SetToolTipString("Edit data's aperture.")
+ self.bt_edit_aperture.Bind(wx.EVT_BUTTON, self.edit_aperture)
+ self.bt_remove_aperture = wx.Button(self, -1, "Remove")
+ self.bt_remove_aperture.SetToolTipString("Remove data's aperture.")
+ self.bt_remove_aperture.Bind(wx.EVT_BUTTON, self.remove_aperture)
+
+ self.aperture_button_sizer.AddMany([(aperture_name_txt, 0, wx.LEFT, 15),
+ (self.aperture_cbox, 0, wx.LEFT, 5),
+ (self.bt_add_aperture, 0, wx.LEFT, 10),
+ (self.bt_edit_aperture, 0, wx.LEFT, 5),
+ (self.bt_remove_aperture, 0, wx.LEFT, 5)])
+ aperture_hint_txt = 'No aperture is available for this data.'
+ self.aperture_txt = wx.StaticText(self, -1, aperture_hint_txt)
+ self.aperture_hint_sizer.Add(self.aperture_txt, 0, wx.LEFT, 10)
+ self.aperture_sizer.AddMany([(self.aperture_button_sizer,
+ 0, wx.ALL, 10),
+ (self.aperture_hint_sizer, 0, wx.ALL, 10)])
+ self.fill_aperture_combox()
+ self.enable_aperture()
+
+ def _do_layout(self):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_collimation()
+ self._layout_name()
+ self._layout_length()
+ self._layout_aperture()
+ self._layout_button()
+
+ self.boxsizer_collimation.AddMany([(self.name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.length_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.aperture_sizer, 0,
+ wx.EXPAND | wx.ALL, 10)])
+ self.main_sizer.AddMany([(self.collimation_sizer, 0, wx.ALL, 10),
+ (self.boxsizer_collimation, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def get_current_collimation(self):
+ """
+ """
+ if not self.collimation_cbox.IsEnabled():
+ return None, None, None
+ position = self.collimation_cbox.GetSelection()
+ if position == wx.NOT_FOUND:
+ return None, None, None
+ collimation_name = self.collimation_cbox.GetStringSelection()
+ collimation = self.collimation_cbox.GetClientData(position)
+ return collimation, collimation_name, position
+
+ def fill_collimation_combox(self):
+ """
+ fill the current combobox with the available collimation
+ """
+ if self._collimation is None or self._collimation == []:
+ return
+ for collimation in self._collimation:
+ pos = self.collimation_cbox.Append(str(collimation.name))
+ self.collimation_cbox.SetClientData(pos, collimation)
+ self.collimation_cbox.SetSelection(pos)
+ self.collimation_cbox.SetStringSelection(str(collimation.name))
+
+ def add_collimation(self, event):
+ """
+ Append empty collimation to data's list of collimation
+ """
+
+ if not self.collimation_cbox.IsEnabled():
+ self.collimation_cbox.Enable()
+ collimation = Collimation()
+ self._collimation.append(collimation)
+ position = self.collimation_cbox.Append(str(collimation.name))
+ self.collimation_cbox.SetClientData(position, collimation)
+ self.collimation_cbox.SetSelection(position)
+ self.enable_collimation()
+ self.bt_add_aperture.Enable()
+ self.fill_aperture_combox()
+ self.enable_aperture()
+ self.set_values()
+
+ def remove_collimation(self, event):
+ """
+ Remove collimation to data's list of collimation
+ """
+ if self.collimation_cbox.IsEnabled():
+ if self.collimation_cbox.GetCount() > 0:
+ position = self.collimation_cbox.GetCurrentSelection()
+ collimation = self.collimation_cbox.GetClientData(position)
+ if collimation in self._collimation:
+ self._collimation.remove(collimation)
+ self.collimation_cbox.Delete(position)
+ #set the combo box box the next available item
+ position = self.collimation_cbox.GetCount()
+ if position > 0:
+ position -= 1
+ self.collimation_cbox.SetSelection(position)
+ if not self._collimation and self.collimation_cbox.GetCount() == 0:
+ self.bt_add_aperture.Disable()
+ self.name_tcl.Clear()
+ self.length_tcl.Clear()
+ self.length_unit_tcl.Clear()
+ self.aperture_cbox.Clear()
+ self.aperture_cbox.Disable()
+ #disable or enable the combo box when necessary
+ self.enable_collimation()
+ self.enable_aperture()
+
+ def on_select_collimation(self, event):
+ """
+ fill the control on the panel according to
+ the current selected collimation
+ """
+ self.set_values()
+ self.fill_aperture_combox()
+ self.enable_aperture()
+
+ def enable_collimation(self):
+ """
+ Enable /disable widgets related to collimation
+ """
+ if self._collimation is not None and \
+ self.collimation_cbox.GetCount() > 0:
+ self.collimation_cbox.Enable()
+ self.bt_remove_collimation.Enable()
+ n_collimation = self.collimation_cbox.GetCount()
+ collimation_hint_txt = "collimations"
+ collimation_hint_txt += " available: %s " % str(n_collimation)
+ if len(self._collimation) > 0:
+ self.bt_remove_collimation.Enable()
+ else:
+ self.bt_remove_collimation.Disable()
+ else:
+ self.collimation_cbox.Disable()
+ self.bt_remove_collimation.Disable()
+ collimation_hint_txt = 'No collimation is available for this data.'
+ self.collimation_txt.SetLabel(collimation_hint_txt)
+
+
+ def reset_collimation_combobox(self, edited_collimation):
+ """
+ take all edited editor and reset clientdata of collimation combo box
+ """
+ for position in range(self.collimation_cbox.GetCount()):
+ collimation = self.collimation_cbox.GetClientData(position)
+ if collimation == edited_collimation:
+ collimation = edited_collimation
+ self.collimation_cbox.SetString(position, str(collimation.name))
+ self.collimation_cbox.SetClientData(position, collimation)
+ self.collimation_cbox.SetStringSelection(str(collimation.name))
+
+ def add_aperture(self, event):
+ """
+ Append empty aperture to data's list of aperture
+ """
+ collimation, _, _ = self.get_current_collimation()
+ if not self.aperture_cbox.IsEnabled():
+ self.aperture_cbox.Enable()
+ aperture = Aperture()
+ collimation.aperture.append(aperture)
+ position = self.aperture_cbox.Append(str(aperture.name))
+ self.aperture_cbox.SetClientData(position, aperture)
+ self.aperture_cbox.SetSelection(position)
+ self.enable_aperture()
+
+ def edit_aperture(self, event):
+ """
+ Edit the selected aperture
+ """
+ if self._collimation is None or not self.aperture_cbox.IsEnabled():
+ return
+ position = self.aperture_cbox.GetSelection()
+ if position != wx.NOT_FOUND:
+ name = self.aperture_cbox.GetStringSelection()
+ aperture = self.aperture_cbox.GetClientData(position)
+ dlg = ApertureDialog(parent=self, aperture=aperture)
+ dlg.set_manager(self)
+ dlg.ShowModal()
+
+ def remove_aperture(self, event):
+ """
+ Remove aperture to data's list of aperture
+ """
+ if self._collimation is None or not self._collimation:
+ return
+ collimation, _, _ = self.get_current_collimation()
+ if self.aperture_cbox.IsEnabled():
+ if self.aperture_cbox.GetCount() > 1:
+ position = self.aperture_cbox.GetCurrentSelection()
+ aperture = self.aperture_cbox.GetClientData(position)
+ if aperture in collimation.aperture:
+ collimation.aperture.remove(aperture)
+ self.aperture_cbox.Delete(position)
+ #set the combo box box the next available item
+ position = self.aperture_cbox.GetCount()
+ if position > 0:
+ position -= 1
+ self.aperture_cbox.SetSelection(position)
+
+ #disable or enable the combo box when necessary
+ self.enable_aperture()
+
+ def set_aperture(self, aperture):
+ """
+ set aperture for data
+ """
+ if self._collimation is None or not self._collimation:
+ return
+ collimation, _, _ = self.get_current_collimation()
+ if collimation.aperture:
+ for item in collimation.aperture:
+ if item == aperture:
+ item = aperture
+ self.reset_aperture_combobox(edited_aperture=aperture)
+ return
+
+ def enable_aperture(self):
+ """
+ Enable /disable widgets crelated to aperture
+ """
+ collimation, _, _ = self.get_current_collimation()
+ if self.aperture_cbox.GetCount() > 0:
+ self.aperture_cbox.Enable()
+ self.bt_edit_aperture.Enable()
+ self.bt_remove_aperture.Enable()
+ n_aperture = self.aperture_cbox.GetCount()
+ aperture_hint_txt = 'apertures available: %s ' % str(n_aperture)
+ if len(collimation.aperture) > 0:
+ self.bt_remove_aperture.Enable()
+ else:
+ self.bt_remove_aperture.Disable()
+ else:
+ self.aperture_cbox.Disable()
+ self.bt_edit_aperture.Disable()
+ self.bt_remove_aperture.Disable()
+ aperture_hint_txt = 'No aperture is available for this data.'
+ self.aperture_txt.SetLabel(aperture_hint_txt)
+
+ def reset_aperture_combobox(self, edited_aperture):
+ """
+ take all edited editor and reset clientdata of aperture combo box
+ """
+ for position in range(self.aperture_cbox.GetCount()):
+ aperture = self.aperture_cbox.GetClientData(position)
+ if aperture == edited_aperture:
+ aperture = edited_aperture
+ self.aperture_cbox.SetString(position, str(aperture.name))
+ self.aperture_cbox.SetClientData(position, aperture)
+ self.aperture_cbox.SetStringSelection(str(aperture.name))
+
+ def fill_aperture_combox(self):
+ """
+ fill the current combobox with the available aperture
+ """
+ self.aperture_cbox.Clear()
+ collimation, _, _ = self.get_current_collimation()
+ if collimation is None or not collimation.aperture:
+ return
+ for aperture in collimation.aperture:
+ pos = self.aperture_cbox.Append(str(aperture.name))
+ self.aperture_cbox.SetClientData(pos, aperture)
+ self.aperture_cbox.SetSelection(pos)
+ self.aperture_cbox.SetStringSelection(str(aperture.name))
+
+ def set_manager(self, manager):
+ """
+ Set manager of this window
+ """
+ self.manager = manager
+
+ def set_values(self):
+ """
+ take the collimation values of the current data and display them
+ through the panel
+ """
+ collimation, _, _ = self.get_current_collimation()
+ if collimation is None:
+ self.bt_add_aperture.Disable()
+ self.length_tcl.SetValue("")
+ self.name_tcl.SetValue("")
+ self.length_unit_tcl.SetValue("")
+ return
+ #Name
+ self.name_tcl.SetValue(str(collimation.name))
+ #length
+ self.length_tcl.SetValue(str(collimation.length))
+ #Length unit
+ self.length_unit_tcl.SetValue(str(collimation.length_unit))
+
+ def get_collimation(self):
+ """
+ return the current collimation
+ """
+ return self._collimation
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_name(self):
+ """
+ Change name
+ """
+ collimation, collimation_name, position = self.get_current_collimation()
+ if collimation is None:
+ return
+ #Change the name of the collimation
+ name = self.name_tcl.GetValue().lstrip().rstrip()
+ if name == "" or name == str(None):
+ name = None
+ if collimation.name != name:
+ self._notes += "Change collimation 's "
+ self._notes += "name from %s to %s \n" % (collimation.name, name)
+ collimation.name = name
+ self.collimation_cbox.SetString(position, str(collimation.name))
+ self.collimation_cbox.SetClientData(position, collimation)
+ self.collimation_cbox.SetStringSelection(str(collimation.name))
+
+ def on_change_length(self):
+ """
+ Change the length
+ """
+ collimation, collimation_name, position = self.get_current_collimation()
+ if collimation is None:
+ return
+ #Change length
+ length = self.length_tcl.GetValue().lstrip().rstrip()
+ if length == "" or length == str(None):
+ length = None
+ collimation.length = length
+ else:
+ if check_float(self.length_tcl):
+ if collimation.length != float(length):
+ self._notes += "Change Collimation length from "
+ self._notes += "%s to %s \n" % (collimation.length, length)
+ collimation.length = float(length)
+ else:
+ self._notes += "Error: Expected a float for collimation length"
+ self._notes += " won't changes length from "
+ self._notes += "%s to %s" % (collimation.length, length)
+ #change length unit
+ unit = self.length_unit_tcl.GetValue().lstrip().rstrip()
+ if collimation.length_unit != unit:
+ self._notes += " Change length's unit from "
+ self._notes += "%s to %s" % (collimation.length_unit, unit)
+ collimation.length_unit = unit
+
+ def on_click_apply(self, event):
+ """
+ Apply user values to the collimation
+ """
+ self.on_change_name()
+ self.on_change_length()
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_collimation(self._collimation, self._notes)
+
+ def on_click_cancel(self, event):
+ """
+ leave the collimation as it is and close
+ """
+ self._collimation = deepcopy(self._reset_collimation)
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_collimation(self._collimation)
+
+
+if __name__ == "__main__":
+
+ app = wx.App()
+ dlg = CollimationDialog(collimation=[Collimation()])
+ dlg.ShowModal()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/console.py b/src/sas/sasgui/perspectives/calculator/console.py
new file mode 100644
index 0000000..9803604
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/console.py
@@ -0,0 +1,66 @@
+"""
+Console Module display message of a dialog
+"""
+import wx
+import sys
+from sas.sascalc.dataloader.loader import Loader
+
+_BOX_WIDTH = 60
+CONSOLE_WIDTH = 340
+CONSOLE_HEIGHT = 240
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 550
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 560
+ FONT_VARIANT = 1
+
+class ConsoleDialog(wx.Dialog):
+ """
+ Data summary dialog
+ """
+ def __init__(self, parent=None, manager=None, data=None,
+ title="Data Summary", size=(PANEL_WIDTH, PANEL_HEIGHT)):
+ wx.Dialog.__init__(self, parent=parent, title=title, size=size)
+
+ self.parent = parent
+ self._manager = manager
+ self._data = data
+ self.sizer = wx.BoxSizer(wx.VERTICAL)
+ self.msg_txt = wx.TextCtrl(self, size=(PANEL_WIDTH - 40,
+ PANEL_HEIGHT - 60),
+ style=wx.TE_MULTILINE)
+ self.msg_txt.SetEditable(False)
+ self.msg_txt.SetValue('No message available')
+ self.sizer.Add(self.msg_txt, 1, wx.EXPAND | wx.ALL, 10)
+ if self._data is not None:
+ self.set_message(msg=self._data.__str__())
+
+ self.SetSizer(self.sizer)
+
+ def set_manager(self, manager):
+ """
+ Set the manager of this window
+ """
+ self._manager = manager
+
+ def set_message(self, msg=""):
+ """
+ Display the message received
+ """
+ self.msg_txt.SetValue(str(msg))
+
+if __name__ == "__main__":
+
+ app = wx.App()
+ # Instantiate a loader
+ loader = Loader()
+ # Load data
+ test_data = loader.load("MAR07232_rest.ASC")
+ dlg = ConsoleDialog(data=test_data)
+ dlg.ShowModal()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/data_editor.py b/src/sas/sasgui/perspectives/calculator/data_editor.py
new file mode 100644
index 0000000..217fc11
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/data_editor.py
@@ -0,0 +1,652 @@
+
+import wx
+import sys
+import os
+from copy import deepcopy
+
+from sas.sascalc.dataloader.loader import Loader
+from sas.sascalc.dataloader.data_info import Data2D
+from detector_editor import DetectorDialog
+from collimation_editor import CollimationDialog
+from console import ConsoleDialog
+
+from sas.sasgui.guiframe.events import StatusEvent
+
+
+_QMIN_DEFAULT = 0.001
+_QMAX_DEFAULT = 0.13
+_NPTS_DEFAULT = 50
+#Control panel width
+if sys.platform.count("darwin") == 0:
+ PANEL_WIDTH = 500
+ PANEL_HEIGTH = 350
+ FONT_VARIANT = 0
+ _BOX_WIDTH = 51
+ ON_MAC = False
+else:
+ _BOX_WIDTH = 76
+ PANEL_WIDTH = 550
+ PANEL_HEIGTH = 400
+ FONT_VARIANT = 1
+ ON_MAC = True
+
+def load_error(error=None):
+ """
+ Pop up an error message.
+
+ @param error: details error message to be displayed
+ """
+ message = "You had to try this, didn't you?\n\n"
+ message += "The data file you selected could not be loaded.\n"
+ message += "Make sure the content of your file is properly formatted.\n\n"
+
+ if error is not None:
+ message += "When contacting the SasView team,"
+ message += " mention the following:\n%s" % str(error)
+
+ dial = wx.MessageDialog(None, message,
+ 'Error Loading File', wx.OK | wx.ICON_EXCLAMATION)
+ dial.ShowModal()
+
+
+class DataEditorPanel(wx.ScrolledWindow):
+ """
+ :param data: when not empty the class can
+ same information into a dat object
+ and post event containing the changed data object to some other frame
+ """
+ def __init__(self, parent, data=[], *args, **kwds):
+ kwds['name'] = "Data Editor"
+ kwds["size"] = (PANEL_WIDTH, PANEL_HEIGTH)
+ wx.ScrolledWindow.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self._data = data
+ self._reset_data = deepcopy(data)
+ self.reader = None
+ self._notes = ""
+ self._description = "Edit Data"
+ self._default_save_location = os.getcwd()
+ self._do_layout()
+ self.reset_panel()
+ self.bt_apply.Disable()
+ if data:
+ self.complete_loading(data=data)
+ self.bt_apply.Enable()
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ name_box = wx.StaticBox(self, -1, "Load Data")
+ self.name_sizer = wx.StaticBoxSizer(name_box, wx.HORIZONTAL)
+
+ self.title_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.run_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.instrument_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ edit_box = wx.StaticBox(self, -1, "Edit ")
+ self.edit_sizer = wx.StaticBoxSizer(edit_box, wx.HORIZONTAL)
+
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_name(self):
+ """
+ Do the layout for data name related widgets
+ """
+ #data name [string]
+ data_name_txt = wx.StaticText(self, -1, 'Data : ')
+ self.data_cbox = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.data_cbox, -1, self.on_select_data)
+ hint_data = "Loaded data."
+ self.data_cbox.SetToolTipString(hint_data)
+ id = wx.NewId()
+ self.browse_button = wx.Button(self, id, "Browse")
+ hint_on_browse = "Click on this button to import data in this panel."
+ self.browse_button.SetToolTipString(hint_on_browse)
+ self.Bind(wx.EVT_BUTTON, self.on_click_browse, id=id)
+ self.name_sizer.AddMany([(data_name_txt, 0, wx.LEFT, 15),
+ (self.data_cbox, 0, wx.LEFT, 10),
+ (self.browse_button, 0, wx.LEFT, 10)])
+
+ def _layout_title(self):
+ """
+ Do the layout for data title related widgets
+ """
+ #title name [string]
+ data_title_txt = wx.StaticText(self, -1, 'Title : ')
+ self.data_title_tcl = wx.TextCtrl(self, -1, size=(PANEL_WIDTH * 3 / 5, -1))
+ self.data_title_tcl.Bind(wx.EVT_TEXT_ENTER, self.on_change_title)
+ hint_title = "Data's title."
+ self.data_title_tcl.SetToolTipString(hint_title)
+ self.title_sizer.AddMany([(data_title_txt, 0, wx.LEFT, 15),
+ (self.data_title_tcl, 0, wx.LEFT, 10)])
+
+ def _layout_run(self):
+ """
+ Do the layout for data run related widgets
+ """
+ data_run_txt = wx.StaticText(self, -1, 'Run : ')
+ data_run_txt.SetToolTipString('')
+ self.data_run_tcl = wx.TextCtrl(self, -1, size=(PANEL_WIDTH * 3 / 5, -1),
+ style=wx.TE_MULTILINE)
+ hint_run = "Data's run."
+ self.data_run_tcl.SetToolTipString(hint_run)
+ self.run_sizer.AddMany([(data_run_txt, 0, wx.LEFT, 15),
+ (self.data_run_tcl, 0, wx.LEFT, 10)])
+
+ def _layout_instrument(self):
+ """
+ Do the layout for instrument related widgets
+ """
+ instrument_txt = wx.StaticText(self, -1, 'Instrument : ')
+ hint_instrument_txt = ''
+ instrument_txt.SetToolTipString(hint_instrument_txt)
+ self.instrument_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 5, 20))
+ hint_instrument = "Instrument."
+ self.instrument_tcl.SetToolTipString(hint_instrument)
+ self.instrument_sizer.AddMany([(instrument_txt, 0, wx.LEFT, 15),
+ (self.instrument_tcl, 0, wx.LEFT, 10)])
+
+ def _layout_editor(self):
+ """
+ Do the layout for sample related widgets
+ """
+ self.detector_rb = wx.RadioButton(self, -1, "Detector",
+ style=wx.RB_GROUP)
+ self.sample_rb = wx.RadioButton(self, -1, "Sample")
+ self.source_rb = wx.RadioButton(self, -1, "Source")
+ self.collimation_rb = wx.RadioButton(self, -1, "Collimation")
+
+ self.bt_edit = wx.Button(self, -1, "Edit")
+ self.bt_edit.SetToolTipString("Edit data.")
+ self.bt_edit.Bind(wx.EVT_BUTTON, self.on_edit)
+ self.edit_sizer.AddMany([(self.detector_rb, 0, wx.ALL, 10),
+ (self.sample_rb, 0, wx.RIGHT | wx.BOTTOM | wx.TOP, 10),
+ (self.source_rb, 0, wx.RIGHT | wx.BOTTOM | wx.TOP, 10),
+ (self.collimation_rb, 0, wx.RIGHT | wx.BOTTOM | wx.TOP, 10),
+ (self.bt_edit, 0,
+ wx.RIGHT | wx.BOTTOM | wx.TOP, 10)])
+ self.reset_radiobox()
+
+
+ def _layout_source(self):
+ """
+ Do the layout for source related widgets
+ """
+ source_txt = wx.StaticText(self, -1, 'Source ')
+ hint_source_txt = ''
+ source_txt.SetToolTipString(hint_source_txt)
+ self.bt_edit_source = wx.Button(self, -1, "Edit")
+ self.bt_edit_source.SetToolTipString("Edit data's sample.")
+ self.bt_edit_source.Bind(wx.EVT_BUTTON, self.edit_source)
+ #self.source_sizer.AddMany([(source_txt, 0, wx.ALL, 10),
+ # (self.bt_edit_source, 0,
+ # wx.RIGHT|wx.BOTTOM|wx.TOP, 10)])
+
+ def _layout_summary(self):
+ """
+ Layout widgets related to data's summary
+ """
+ self.data_summary = wx.TextCtrl(self, -1,
+ style=wx.TE_MULTILINE | wx.HSCROLL,
+ size=(-1, 200))
+ summary = 'No data info available...'
+ self.data_summary.SetValue(summary)
+ #self.summary_sizer.Add(self.data_summary, 1, wx.EXPAND|wx.ALL, 10)
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_summary = wx.Button(self, -1, "View", size=(_BOX_WIDTH, -1))
+ self.bt_summary.SetToolTipString("View final changes on data.")
+ self.bt_summary.Bind(wx.EVT_BUTTON, self.on_click_view)
+
+ self.bt_save = wx.Button(self, -1, "Save As", size=(_BOX_WIDTH, -1))
+ self.bt_save.SetToolTipString("Save changes in a file.")
+ self.bt_save.Bind(wx.EVT_BUTTON, self.on_click_save)
+
+ self.bt_apply = wx.Button(self, -1, "Apply", size=(_BOX_WIDTH, -1))
+ self.bt_apply.SetToolTipString("Save changes into the imported data.")
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+
+ self.bt_reset = wx.Button(self, -1, 'Reset', size=(_BOX_WIDTH, -1))
+ self.bt_reset.Bind(wx.EVT_BUTTON, self.on_click_reset)
+ self.bt_reset.SetToolTipString("Reset data to its initial state.")
+
+ self.bt_close = wx.Button(self, -1, 'Close', size=(_BOX_WIDTH, -1))
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.bt_close.SetToolTipString("Close this panel.")
+
+ self.button_sizer.AddMany([(self.bt_save, 0, wx.LEFT, 120),
+ (self.bt_apply, 0, wx.LEFT, 10),
+ (self.bt_reset, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.bt_summary, 0, wx.RIGHT, 10),
+ (self.bt_close, 0, wx.RIGHT, 10)])
+
+ def _do_layout(self):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_name()
+ self._layout_title()
+ self._layout_run()
+ self._layout_editor()
+ self._layout_button()
+ self.main_sizer.AddMany([(self.name_sizer, 0, wx.EXPAND | wx.ALL, 10),
+ (self.title_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.run_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.instrument_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.edit_sizer, 0,
+ wx.EXPAND | wx.LEFT | wx.RIGHT | wx.TOP, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetScrollbars(20, 20, 25, 65)
+ self.SetAutoLayout(True)
+
+ def fill_data_combox(self):
+ """
+ fill the current combobox with the available data
+ """
+ if not self._data:
+ return
+ self.data_cbox.Clear()
+ for data in self._data:
+ name = data.title
+ if data.run:
+ name = data.run[0]
+ if name.lstrip().rstrip() == "":
+ name = data.filename
+ pos = self.data_cbox.Append(str(name))
+ self.data_cbox.SetClientData(pos, data)
+ self.data_cbox.SetSelection(pos)
+ self.data_cbox.SetStringSelection(str(name))
+
+ def reset_panel(self):
+ """
+ """
+ self.enable_data_cbox()
+ self.data_title_tcl.SetValue("")
+ self.data_run_tcl.SetValue("")
+
+ def on_select_data(self, event=None):
+ """
+ """
+ data, _, _ = self.get_current_data()
+ self.reset_panel()
+ if data is None:
+ return
+ self.data_title_tcl.SetValue(str(data.title))
+ text = ""
+ if data.run:
+ for item in data.run:
+ text += item + "\n"
+ self.data_run_tcl.SetValue(str(text))
+
+ def get_current_data(self):
+ """
+ """
+ position = self.data_cbox.GetSelection()
+ if position == wx.NOT_FOUND:
+ return None, None, None
+ data_name = self.data_cbox.GetStringSelection()
+ data = self.data_cbox.GetClientData(position)
+ return data, data_name, position
+
+ def enable_data_cbox(self):
+ """
+ """
+ if self._data:
+ self.data_cbox.Enable()
+ self.bt_summary.Enable()
+ self.bt_reset.Enable()
+ self.bt_save.Enable()
+ self.bt_edit.Enable()
+ else:
+ self.data_cbox.Disable()
+ self.bt_summary.Disable()
+ self.bt_reset.Disable()
+ self.bt_save.Disable()
+ self.bt_edit.Disable()
+
+ def reset_radiobox(self):
+ """
+ """
+ self.detector_rb.SetValue(True)
+ self.source_rb.SetValue(False)
+ self.sample_rb.SetValue(False)
+ self.collimation_rb.SetValue(False)
+
+ def set_sample(self, sample, notes=None):
+ """
+ set sample for data
+ """
+ data, _, _ = self.get_current_data()
+ if data is None:
+ return
+ data.sample = sample
+ if notes is not None:
+ data.process.append(notes)
+
+ def set_source(self, source, notes=None):
+ """
+ set source for data
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ data.source = source
+ if notes is not None:
+ data.process.append(notes)
+
+ def set_detector(self, detector, notes=None):
+ """
+ set detector for data
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ data.detector = detector
+ if notes is not None:
+ data.process.append(notes)
+
+ def set_collimation(self, collimation, notes=None):
+ """
+ set collimation for data
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ data.collimation = collimation
+ if notes is not None:
+ data.process.append(notes)
+
+ def edit_collimation(self):
+ """
+ Edit the selected collimation
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ dlg = CollimationDialog(collimation=data.collimation)
+ dlg.set_manager(self)
+ dlg.ShowModal()
+
+ def edit_detector(self):
+ """
+ Edit the selected detector
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ dlg = DetectorDialog(detector=data.detector)
+ dlg.set_manager(self)
+ dlg.ShowModal()
+
+ def edit_sample(self):
+ """
+ Open the dialog to edit the sample of the current data
+ """
+ data, _, _ = self.get_current_data()
+ if data is None:
+ return
+ from sample_editor import SampleDialog
+ dlg = SampleDialog(parent=self, sample=data.sample)
+ dlg.set_manager(self)
+ dlg.ShowModal()
+
+ def edit_source(self):
+ """
+ Open the dialog to edit the saource of the current data
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ from source_editor import SourceDialog
+ dlg = SourceDialog(parent=self, source=data.source)
+ dlg.set_manager(self)
+ dlg.ShowModal()
+
+ def choose_data_file(self, location=None):
+ """
+ Open a file dialog to allow loading a file
+ """
+ path = None
+ if location == None:
+ location = os.getcwd()
+
+ l = Loader()
+ cards = l.get_wildcards()
+ wlist = '|'.join(cards)
+
+ dlg = wx.FileDialog(self, "Choose a file", location, "", wlist, wx.OPEN)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ mypath = os.path.basename(path)
+ dlg.Destroy()
+ return path
+
+
+ def complete_loading(self, data=None, filename=''):
+ """
+ Complete the loading and compute the slit size
+ """
+ self.done = True
+ self._data = []
+ if data is None:
+ msg = "Couldn't load data"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg,
+ info="warning", type='stop'))
+ return
+ if not data.__class__.__name__ == "list":
+ self._data.append(data)
+ self._reset_data.append(deepcopy(data))
+ else:
+ self._data = deepcopy(data)
+ self._reset_data = deepcopy(data)
+ self.set_values()
+ if self.parent.parent is None:
+ return
+ msg = "Load Complete"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg,
+ info="info", type='stop'))
+
+ def set_values(self):
+ """
+ take the aperture values of the current data and display them
+ through the panel
+ """
+ if self._data:
+ self.fill_data_combox()
+ self.on_select_data(event=None)
+
+ def get_data(self):
+ """
+ return the current data
+ """
+ return self._data
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_run(self, event=None):
+ """
+ Change run
+ """
+ run = []
+ data, _, _ = self.get_current_data()
+ for i in range(self.data_run_tcl.GetNumberOfLines()):
+ text = self.data_run_tcl.GetLineText(i).lstrip().rstrip()
+ if text != "":
+ run.append(text)
+ if data.run != run:
+ self._notes += "Change data 's "
+ self._notes += "run from %s to %s \n" % (data.run, str(run))
+ data.run = run
+ if event is not None:
+ event.Skip()
+
+ def on_change_title(self, event=None):
+ """
+ Change title
+ """
+ data, _, _ = self.get_current_data()
+ #Change data's name
+ title = self.data_title_tcl.GetValue().lstrip().rstrip()
+
+ if data.title != title:
+ self._notes += "Change data 's "
+ self._notes += "title from %s to %s \n" % (data.title, str(title))
+ data.title = title
+ if event is not None:
+ event.Skip()
+
+ def on_click_browse(self, event):
+ """
+ Open a file dialog to allow the user to select a given file.
+ Display the loaded data if available.
+ """
+ path = self.choose_data_file(location=self._default_save_location)
+ if path is None:
+ return
+ if self.parent.parent is not None:
+ wx.PostEvent(self.parent.parent, StatusEvent(status="Loading...",
+ info="info", type="progress"))
+
+ self.done = False
+ self._default_save_location = path
+ try:
+ #Load data
+ from load_thread import DataReader
+ ## If a thread is already started, stop it
+ if self.reader is not None and self.reader.isrunning():
+ self.reader.stop()
+ self.reader = DataReader(path=path,
+ completefn=self.complete_loading,
+ updatefn=None)
+ self.reader.queue()
+ except:
+ msg = "Data Editor: %s" % (sys.exc_value)
+ load_error(msg)
+ return
+ event.Skip()
+
+ def on_edit(self, event):
+ """
+ """
+ if self.detector_rb.GetValue():
+ self.edit_detector()
+ if self.sample_rb.GetValue():
+ self.edit_sample()
+ if self.source_rb.GetValue():
+ self.edit_source()
+ if self.collimation_rb.GetValue():
+ self.edit_collimation()
+ event.Skip()
+
+ def on_click_apply(self, event):
+ """
+ changes are saved in data object imported to edit
+ """
+ data, _, _ = self.get_current_data()
+ if data is None:
+ return
+ self.on_change_run(event=None)
+ self.on_change_title(event=None)
+ #must post event here
+ event.Skip()
+
+ def on_click_save(self, event):
+ """
+ Save change into a file
+ """
+ if not self._data:
+ return
+ self.on_change_run(event=None)
+ self.on_change_title(event=None)
+ path = None
+ wildcard = "CanSAS 1D files(*.xml)|*.xml"
+ dlg = wx.FileDialog(self, "Choose a file",
+ self._default_save_location, "", wildcard , wx.SAVE)
+
+ for data in self._data:
+ if issubclass(data.__class__, Data2D):
+ msg = "No conventional writing format for \n\n"
+ msg += "Data2D at this time.\n"
+ dlg = wx.MessageDialog(None, msg, 'Error Loading File',
+ wx.OK | wx.ICON_EXCLAMATION)
+ dlg.ShowModal()
+ else:
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ mypath = os.path.basename(path)
+ loader = Loader()
+ format = ".xml"
+ if os.path.splitext(mypath)[1].lower() == format:
+ loader.save(path, data, format)
+ try:
+ self._default_save_location = os.path.dirname(path)
+ except:
+ pass
+ dlg.Destroy()
+ event.Skip()
+
+ def on_click_view(self, event):
+ """
+ Display data info
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ self.on_change_run(event=None)
+ self.on_change_title(event=None)
+ dlg = ConsoleDialog(data=data)
+ dlg.ShowModal()
+ event.Skip()
+
+ def on_click_reset(self, event):
+ """
+ """
+ data, data_name, position = self.get_current_data()
+ if data is None:
+ return
+ self._data[position] = deepcopy(self._reset_data[position])
+ self.set_values()
+ event.Skip()
+
+ def on_close(self, event):
+ """
+ leave data as it is and close
+ """
+ self.parent.Close()
+ event.Skip()
+
+class DataEditorWindow(wx.Frame):
+ def __init__(self, parent, manager, data=None, *args, **kwds):
+ kwds["size"] = (PANEL_WIDTH, PANEL_HEIGTH)
+ wx.Frame.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self.panel = DataEditorPanel(parent=self, data=data)
+ self.Show()
+
+ def get_data(self):
+ """
+ return the current data
+ """
+ return self.panel.get_data()
+
+if __name__ == "__main__":
+
+ app = wx.App()
+ window = DataEditorWindow(parent=None, data=[], title="Data Editor")
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/data_operator.py b/src/sas/sasgui/perspectives/calculator/data_operator.py
new file mode 100644
index 0000000..4e38f4a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/data_operator.py
@@ -0,0 +1,996 @@
+"""
+GUI for the data operations panel (sum and multiply)
+"""
+import wx
+import sys
+import time
+import numpy
+from sas.sascalc.dataloader.data_info import Data1D
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools.plottables import Graph
+from sas.sasgui.plottools import transform
+from matplotlib.font_manager import FontProperties
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+#Control panel width
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ PANEL_WIDTH = 790
+ PANEL_HEIGTH = 370
+ FONT_VARIANT = 0
+ _BOX_WIDTH = 200
+ ON_MAC = False
+else:
+ PANEL_TOP = 60
+ _BOX_WIDTH = 230
+ PANEL_WIDTH = 900
+ PANEL_HEIGTH = 430
+ FONT_VARIANT = 1
+ ON_MAC = True
+
+class DataOperPanel(wx.ScrolledWindow):
+ """
+ """
+ def __init__(self, parent, *args, **kwds):
+ kwds['name'] = "Data Operation"
+ kwds["size"] = (PANEL_WIDTH, PANEL_HEIGTH)
+ wx.ScrolledWindow.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ #sizers etc.
+ self.main_sizer = None
+ self.name_sizer = None
+ self.button_sizer = None
+ self.data_namectr = None
+ self.numberctr = None
+ self.data1_cbox = None
+ self.operator_cbox = None
+ self.data2_cbox = None
+ self.data_title_tcl = None
+ self.out_pic = None
+ self.equal_pic = None
+ self.data1_pic = None
+ self.operator_pic = None
+ self.data2_pic = None
+ self.output = None
+ self._notes = None
+ #text grayed color
+ self.color = wx.SystemSettings.GetColour(wx.SYS_COLOUR_BACKGROUND)
+ #data
+ self._data = self.get_datalist()
+ self._do_layout()
+ self.fill_data_combox()
+ self.fill_oprator_combox()
+ self.Bind(wx.EVT_SET_FOCUS, self.set_panel_on_focus)
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ title = "Data Operation "
+ title += "[ + (add); - (subtract); "
+ title += "* (multiply); / (divide); "
+ title += "| (append) ]"
+ name_box = wx.StaticBox(self, -1, title)
+ self.name_sizer = wx.StaticBoxSizer(name_box, wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_name(self):
+ """
+ Do the layout for data name related widgets
+ """
+ new_data_sizer = wx.BoxSizer(wx.VERTICAL)
+ equal_sizer = wx.BoxSizer(wx.VERTICAL)
+ old_data1_sizer = wx.BoxSizer(wx.VERTICAL)
+ operator_sizer = wx.BoxSizer(wx.VERTICAL)
+ old_data2_sizer = wx.BoxSizer(wx.VERTICAL)
+ data2_hori_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ data_name = wx.StaticText(self, -1, 'Output Data Name')
+ equal_name = wx.StaticText(self, -1, ' =', size=(50, 25))
+ data1_name = wx.StaticText(self, -1, 'Data1')
+ operator_name = wx.StaticText(self, -1, 'Operator')
+ data2_name = wx.StaticText(self, -1, 'Data2 (or Number)')
+ self.data_namectr = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 25), style=wx.TE_PROCESS_ENTER)
+ self.data_namectr.SetToolTipString("Hit 'Enter' key after typing.")
+ self.data_namectr.SetValue(str('MyNewDataName'))
+ self.numberctr = wx.TextCtrl(self, -1, size=(_BOX_WIDTH / 3, 25), style=wx.TE_PROCESS_ENTER)
+ self.numberctr.SetToolTipString("Hit 'Enter' key after typing.")
+ self.numberctr.SetValue(str(1.0))
+ self.data1_cbox = wx.ComboBox(self, -1, size=(_BOX_WIDTH, 25),
+ style=wx.CB_READONLY)
+ self.operator_cbox = wx.ComboBox(self, -1, size=(70, 25),
+ style=wx.CB_READONLY)
+ operation_tip = "Add: +, Subtract: -, "
+ operation_tip += "Multiply: *, Divide: /, "
+ operation_tip += "Append(Combine): | "
+ self.operator_cbox.SetToolTipString(operation_tip)
+ self.data2_cbox = wx.ComboBox(self, -1, size=(_BOX_WIDTH * 2 / 3, 25),
+ style=wx.CB_READONLY)
+
+ self.out_pic = SmallPanel(self, -1, True,
+ size=(_BOX_WIDTH, _BOX_WIDTH),
+ style=wx.NO_BORDER)
+ self.equal_pic = SmallPanel(self, -1, True, '=',
+ size=(50, _BOX_WIDTH),
+ style=wx.NO_BORDER)
+ self.data1_pic = SmallPanel(self, -1, True,
+ size=(_BOX_WIDTH, _BOX_WIDTH),
+ style=wx.NO_BORDER)
+ self.operator_pic = SmallPanel(self, -1, True, '+',
+ size=(70, _BOX_WIDTH),
+ style=wx.NO_BORDER)
+ self.data2_pic = SmallPanel(self, -1, True,
+ size=(_BOX_WIDTH, _BOX_WIDTH),
+ style=wx.NO_BORDER)
+ for ax in self.equal_pic.axes:
+ ax.set_frame_on(False)
+ for ax in self.operator_pic.axes:
+ ax.set_frame_on(False)
+
+ new_data_sizer.AddMany([(data_name, 0, wx.LEFT, 3),
+ (self.data_namectr, 0, wx.LEFT, 3),
+ (self.out_pic, 0, wx.LEFT, 3)])
+ equal_sizer.AddMany([(13, 13), (equal_name, 0, wx.LEFT, 3),
+ (self.equal_pic, 0, wx.LEFT, 3)])
+ old_data1_sizer.AddMany([(data1_name, 0, wx.LEFT, 3),
+ (self.data1_cbox, 0, wx.LEFT, 3),
+ (self.data1_pic, 0, wx.LEFT, 3)])
+ operator_sizer.AddMany([(operator_name, 0, wx.LEFT, 3),
+ (self.operator_cbox, 0, wx.LEFT, 3),
+ (self.operator_pic, 0, wx.LEFT, 3)])
+ data2_hori_sizer.AddMany([(self.data2_cbox, 0, wx.LEFT, 0),
+ (self.numberctr, 0, wx.RIGHT, 0)])
+ old_data2_sizer.AddMany([(data2_name, 0, wx.LEFT, 3),
+ (data2_hori_sizer, 0, wx.LEFT, 3),
+ (self.data2_pic, 0, wx.LEFT, 3)])
+ self.name_sizer.AddMany([(new_data_sizer, 0, wx.LEFT | wx.TOP, 5),
+ (equal_sizer, 0, wx.TOP, 5),
+ (old_data1_sizer, 0, wx.TOP, 5),
+ (operator_sizer, 0, wx.TOP, 5),
+ (old_data2_sizer, 0, wx.TOP, 5)])
+ self.data2_cbox.Show(True)
+
+ self._show_numctrl(self.numberctr, False)
+
+ wx.EVT_TEXT_ENTER(self.data_namectr, -1, self.on_name)
+ wx.EVT_TEXT(self.numberctr, -1, self.on_number)
+ wx.EVT_COMBOBOX(self.data1_cbox, -1, self.on_select_data1)
+ wx.EVT_COMBOBOX(self.operator_cbox, -1, self.on_select_operator)
+ wx.EVT_COMBOBOX(self.data2_cbox, -1, self.on_select_data2)
+
+ def _show_numctrl(self, ctrl, enable=True):
+ """
+ Show/Hide on Win
+ Enable/Disable on MAC
+ """
+ if ON_MAC:
+ ctrl.Enable(enable)
+ children = ctrl.GetChildren()
+ if len(children) > 0:
+ ctrl.GetChildren()[0].SetBackGroundColour(self.color)
+ if enable:
+ wx.EVT_TEXT_ENTER(self.numberctr, -1, self.on_number)
+ else:
+ if not ctrl.IsEnabled():
+ ctrl.Enable(True)
+ ctrl.Show(enable)
+
+ def on_name(self, event=None):
+ """
+ On data name typing
+ """
+ if event != None:
+ event.Skip()
+ item = event.GetEventObject()
+ if item.IsEnabled():
+ self._set_textctrl_color(item, 'white')
+ else:
+ self._set_textctrl_color(item, self.color)
+ text = item.GetValue().strip()
+ self._check_newname(text)
+
+ def _check_newname(self, name=None):
+ """
+ Check name ctr strings
+ """
+ self.send_warnings('')
+ msg = ''
+ if name == None:
+ text = self.data_namectr.GetValue().strip()
+ else:
+ text = name
+ state_list = self.get_datalist().values()
+ name_list = []
+ for state in state_list:
+ if state.data == None:
+ theory_list = state.get_theory()
+ theory, _ = theory_list.values()[0]
+ d_name = str(theory.name)
+ else:
+ d_name = str(state.data.name)
+ name_list.append(d_name)
+ if text in name_list:
+ self._set_textctrl_color(self.data_namectr, 'pink')
+ msg = "DataOperation: The name already exists."
+ if len(text) == 0:
+ self._set_textctrl_color(self.data_namectr, 'pink')
+ msg = "DataOperation: Type the data name first."
+ if self._notes:
+ self.send_warnings(msg, 'error')
+ self.name_sizer.Layout()
+ self.Refresh()
+
+ def _set_textctrl_color(self, ctrl, color):
+ """
+ Set TextCtrl color
+ """
+ if ON_MAC:
+ children = ctrl.GetChildren()
+ if len(children) > 0:
+ children[0].SetBackgroundColour(color)
+ else:
+ ctrl.SetBackgroundColour(color)
+ self.name_sizer.Layout()
+
+ def on_number(self, event=None, control=None):
+ """
+ On selecting Number for Data2
+ """
+ self.send_warnings('')
+ item = control
+ if item is None and event is not None:
+ item = event.GetEventObject()
+ elif item is None:
+ raise ValueError("Event or control must be supplied")
+ text = item.GetValue().strip()
+ if self.numberctr.IsShown():
+ if self.numberctr.IsEnabled():
+ self._set_textctrl_color(self.numberctr, 'white')
+ try:
+ val = float(text)
+ pos = self.data2_cbox.GetCurrentSelection()
+ self.data2_cbox.SetClientData(pos, val)
+ except:
+ self._set_textctrl_color(self.numberctr, 'pink')
+ if event is None:
+ msg = "DataOperation: Number requires a float number."
+ self.send_warnings(msg, 'error')
+ return False
+ else:
+ self._set_textctrl_color(self.numberctr, self.color)
+
+ self.put_text_pic(self.data2_pic, content=str(val))
+ self.check_data_inputs()
+ if self.output != None:
+ self.output.name = str(self.data_namectr.GetValue())
+ self.draw_output(self.output)
+ self.Refresh()
+ return True
+
+ def on_select_data1(self, event=None):
+ """
+ On select data1
+ """
+ self.send_warnings('')
+ item = event.GetEventObject()
+ pos = item.GetCurrentSelection()
+ data = item.GetClientData(pos)
+ if data == None:
+ content = "?"
+ self.put_text_pic(self.data1_pic, content)
+ else:
+ self.data1_pic.add_image(data)
+ self.check_data_inputs()
+ if self.output != None:
+ self.output.name = str(self.data_namectr.GetValue())
+ self.draw_output(self.output)
+
+ def on_select_operator(self, event=None):
+ """
+ On Select an Operator
+ """
+ self.send_warnings('')
+ item = event.GetEventObject()
+ text = item.GetValue().strip()
+ self.put_text_pic(self.operator_pic, content=text)
+ self.check_data_inputs()
+ if self.output != None:
+ self.output.name = str(self.data_namectr.GetValue())
+ self.draw_output(self.output)
+
+ def on_select_data2(self, event=None):
+ """
+ On Selecting Data2
+ """
+ self.send_warnings('')
+ item = event.GetEventObject()
+ text = item.GetValue().strip().lower()
+ self._show_numctrl(self.numberctr, text == 'number')
+ pos = item.GetCurrentSelection()
+ data = item.GetClientData(pos)
+ content = "?"
+ if not (self.numberctr.IsShown() and self.numberctr.IsEnabled()):
+ if data == None:
+ content = "?"
+ self.put_text_pic(self.data2_pic, content)
+ else:
+ self.data2_pic.add_image(data)
+ self.check_data_inputs()
+ else:
+ content = str(self.numberctr.GetValue().strip())
+ try:
+ content = float(content)
+ data = content
+ except:
+ self._set_textctrl_color(self.numberctr, 'pink')
+ content = "?"
+ data = None
+ item.SetClientData(pos, data)
+ if data != None:
+ self.check_data_inputs()
+
+ self.put_text_pic(self.data2_pic, content)
+
+ if self.output != None:
+ self.output.name = str(self.data_namectr.GetValue())
+ self.draw_output(self.output)
+
+ def put_text_pic(self, pic=None, content=''):
+ """
+ Put text to the pic
+ """
+ pic.set_content(content)
+ pic.add_text()
+ pic.draw()
+
+ def check_data_inputs(self):
+ """
+ Check data1 and data2 whether or not they are ready for operation
+ """
+ self._set_textctrl_color(self.data1_cbox, 'white')
+ self._set_textctrl_color(self.data2_cbox, 'white')
+ flag = False
+ pos1 = self.data1_cbox.GetCurrentSelection()
+ data1 = self.data1_cbox.GetClientData(pos1)
+ if data1 == None:
+ self.output = None
+ return flag
+ pos2 = self.data2_cbox.GetCurrentSelection()
+ data2 = self.data2_cbox.GetClientData(pos2)
+
+ if data2 == None:
+ self.output = None
+ return flag
+ if self.numberctr.IsShown():
+ if self.numberctr.IsEnabled():
+ self._set_textctrl_color(self.numberctr, 'white')
+ try:
+ float(data2)
+ if self.operator_cbox.GetValue().strip() == '|':
+ msg = "DataOperation: This operation can not accept "
+ msg += "a float number."
+ self.send_warnings(msg, 'error')
+ self._set_textctrl_color(self.numberctr, 'pink')
+ self.output = None
+ return flag
+ except:
+ msg = "DataOperation: Number requires a float number."
+ self.send_warnings(msg, 'error')
+ self._set_textctrl_color(self.numberctr, 'pink')
+ self.output = None
+ return flag
+ else:
+ self._set_textctrl_color(self.numberctr, self.color)
+ elif data1.__class__.__name__ != data2.__class__.__name__:
+ self._set_textctrl_color(self.data1_cbox, 'pink')
+ self._set_textctrl_color(self.data2_cbox, 'pink')
+ msg = "DataOperation: Data types must be same."
+ self.send_warnings(msg, 'error')
+ self.output = None
+ return flag
+ try:
+ self.output = self.make_data_out(data1, data2)
+ except:
+ self._check_newname()
+ self._set_textctrl_color(self.data1_cbox, 'pink')
+ self._set_textctrl_color(self.data2_cbox, 'pink')
+ msg = "DataOperation: %s" % sys.exc_value
+ self.send_warnings(msg, 'error')
+ self.output = None
+ return flag
+ return True
+
+ def make_data_out(self, data1, data2):
+ """
+ Make a temp. data output set
+ """
+ output = None
+ pos = self.operator_cbox.GetCurrentSelection()
+ operator = self.operator_cbox.GetClientData(pos)
+ try:
+ exec "output = data1 %s data2" % operator
+ except:
+ raise
+ return output
+
+
+ def draw_output(self, output):
+ """
+ Draw output data(temp)
+ """
+ out = self.out_pic
+ if output == None:
+ content = "?"
+ self.put_text_pic(out, content)
+ else:
+ out.add_image(output)
+ wx.CallAfter(self.name_sizer.Layout)
+ self.Layout()
+ self.Refresh()
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, "Apply", size=(_BOX_WIDTH / 2, -1))
+ app_tip = "Generate the Data and send to Data Explorer."
+ self.bt_apply.SetToolTipString(app_tip)
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+
+ self.bt_help = wx.Button(self, -1, "HELP")
+ app_tip = "Get help on Data Operations."
+ self.bt_help.SetToolTipString(app_tip)
+ self.bt_help.Bind(wx.EVT_BUTTON, self.on_help)
+
+ self.bt_close = wx.Button(self, -1, 'Close', size=(_BOX_WIDTH / 2, -1))
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.bt_close.SetToolTipString("Close this panel.")
+
+ self.button_sizer.AddMany([(PANEL_WIDTH / 2, 25),
+ (self.bt_apply, 0, wx.RIGHT, 10),
+ (self.bt_help, 0, wx.RIGHT, 10),
+ (self.bt_close, 0, wx.RIGHT, 10)])
+
+ def _do_layout(self):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_name()
+ self._layout_button()
+ self.main_sizer.AddMany([(self.name_sizer, 0, wx.EXPAND | wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetScrollbars(20, 20, 25, 65)
+ self.SetAutoLayout(True)
+
+ def set_panel_on_focus(self, event):
+ """
+ On Focus at this window
+ """
+ if event != None:
+ event.Skip()
+ self._data = self.get_datalist()
+ if ON_MAC:
+ self.fill_data_combox()
+ else:
+ children = self.GetChildren()
+ # update the list only when it is on the top
+ if self.FindFocus() in children:
+ self.fill_data_combox()
+
+ def fill_oprator_combox(self):
+ """
+ fill the current combobox with the operator
+ """
+ operator_list = [' +', ' -', ' *', " /", " |"]
+ for oper in operator_list:
+ pos = self.operator_cbox.Append(str(oper))
+ self.operator_cbox.SetClientData(pos, str(oper.strip()))
+ self.operator_cbox.SetSelection(0)
+
+
+ def fill_data_combox(self):
+ """
+ fill the current combobox with the available data
+ """
+ pos_pre1 = self.data1_cbox.GetCurrentSelection()
+ pos_pre2 = self.data2_cbox.GetCurrentSelection()
+ current1 = self.data1_cbox.GetLabel()
+ current2 = self.data2_cbox.GetLabel()
+ if pos_pre1 < 0:
+ pos_pre1 = 0
+ if pos_pre2 < 0:
+ pos_pre2 = 0
+ self.data1_cbox.Clear()
+ self.data2_cbox.Clear()
+
+ if not self._data:
+ pos = self.data1_cbox.Append('No Data Available')
+ self.data1_cbox.SetSelection(pos)
+ self.data1_cbox.SetClientData(pos, None)
+ pos2 = self.data2_cbox.Append('No Data Available')
+ self.data2_cbox.SetSelection(pos2)
+ self.data2_cbox.SetClientData(pos2, None)
+ return
+ pos1 = self.data1_cbox.Append('Select Data')
+ self.data1_cbox.SetSelection(pos1)
+ self.data1_cbox.SetClientData(pos1, None)
+ pos2 = self.data2_cbox.Append('Select Data')
+ self.data2_cbox.SetSelection(pos2)
+ self.data2_cbox.SetClientData(pos2, None)
+ pos3 = self.data2_cbox.Append('Number')
+ val = None
+ if (self.numberctr.IsShown() and self.numberctr.IsEnabled()):
+ try:
+ val = float(self.numberctr.GetValue())
+ except:
+ val = None
+ self.data2_cbox.SetClientData(pos3, val)
+ dnames = []
+ ids = self._data.keys()
+ for id in ids:
+ if id != None:
+ if self._data[id].data != None:
+ dnames.append(self._data[id].data.name)
+ else:
+ theory_list = self._data[id].get_theory()
+ theory, _ = theory_list.values()[0]
+ dnames.append(theory.name)
+ ind = numpy.argsort(dnames)
+ if len(ind) > 0:
+ val_list = numpy.array(self._data.values())[ind]
+ for datastate in val_list:
+ data = datastate.data
+ if data != None:
+ name = data.name
+ pos1 = self.data1_cbox.Append(str(name))
+ self.data1_cbox.SetClientData(pos1, data)
+ pos2 = self.data2_cbox.Append(str(name))
+ self.data2_cbox.SetClientData(pos2, data)
+ if str(current1) == str(name):
+ pos_pre1 = pos1
+ if str(current2) == str(name):
+ pos_pre2 = pos2
+ try:
+ theory_list = datastate.get_theory()
+ for theory, _ in theory_list.values():
+ th_name = theory.name
+ posth1 = self.data1_cbox.Append(str(th_name))
+ self.data1_cbox.SetClientData(posth1, theory)
+ posth2 = self.data2_cbox.Append(str(th_name))
+ self.data2_cbox.SetClientData(posth2, theory)
+ if str(current1) == str(th_name):
+ pos_pre1 = posth1
+ if str(current2) == str(th_name):
+ pos_pre2 = posth2
+ except:
+ continue
+ self.data1_cbox.SetSelection(pos_pre1)
+ self.data2_cbox.SetSelection(pos_pre2)
+
+ def get_datalist(self):
+ """
+ """
+ data_manager = self.parent.parent.get_data_manager()
+ if data_manager != None:
+ return data_manager.get_all_data()
+ else:
+ return {}
+
+ def on_click_apply(self, event):
+ """
+ changes are saved in data object imported to edit
+ """
+ self.send_warnings('')
+ self.data_namectr.SetBackgroundColour('white')
+ state_list = self.get_datalist().values()
+ name = self.data_namectr.GetValue().strip()
+ name_list = []
+ for state in state_list:
+ if state.data == None:
+ theory_list = state.get_theory()
+ theory, _ = theory_list.values()[0]
+ d_name = str(theory.name)
+ else:
+ d_name = str(state.data.name)
+ name_list.append(d_name)
+ if name in name_list:
+ self._set_textctrl_color(self.data_namectr, 'pink')
+ msg = "The Output Data Name already exists... "
+ wx.MessageBox(msg, 'Error')
+ return
+ if name == '':
+ self._set_textctrl_color(self.data_namectr, 'pink')
+ msg = "Please type the output data name first... "
+ wx.MessageBox(msg, 'Error')
+ return
+ if self.output == None:
+ msg = "No Output Data has been generated... "
+ wx.MessageBox(msg, 'Error')
+ return
+ if self.numberctr.IsEnabled() and self.numberctr.IsShown():
+ valid_num = self.on_number(control=self.numberctr)
+ if not valid_num:
+ return
+ # send data to data manager
+ self.output.name = name
+ self.output.run = "Data Operation"
+ self.output.instrument = "SasView"
+ self.output.id = str(name) + str(time.time())
+ data = {self.output.id :self.output}
+ self.parent.parent.add_data(data)
+ self.name_sizer.Layout()
+ self.Refresh()
+ #must post event here
+ event.Skip()
+
+ def on_help(self, event):
+ """
+ Bring up the Data Operations Panel Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "data_operator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Data Operation Help")
+
+ def disconnect_panels(self):
+ """
+ """
+ self.out_pic.connect.disconnect()
+ self.equal_pic.connect.disconnect()
+ self.data1_pic.connect.disconnect()
+ self.operator_pic.connect.disconnect()
+ self.data2_pic.connect.disconnect()
+
+ def on_close(self, event):
+ """
+ leave data as it is and close
+ """
+ self.parent.OnClose()
+
+ def set_plot_unfocus(self):
+ """
+ Unfocus on right click
+ """
+
+ def send_warnings(self, msg='', info='info'):
+ """
+ Send warning to status bar
+ """
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, info=info))
+
+class SmallPanel(PlotPanel):
+ """
+ PlotPanel for Quick plot and masking plot
+ """
+ def __init__(self, parent, id= -1, is_number=False, content='?', **kwargs):
+ """
+ """
+ PlotPanel.__init__(self, parent, id=id, **kwargs)
+ self.is_number = is_number
+ self.content = content
+ self.point = None
+ self.position = (0.4, 0.5)
+ self.scale = 'linear'
+ self.prevXtrans = "x"
+ self.prevYtrans = "y"
+ self.viewModel = "--"
+ self.subplot.set_xticks([])
+ self.subplot.set_yticks([])
+ self.add_text()
+ self.figure.subplots_adjust(left=0.1, bottom=0.1)
+
+ def set_content(self, content=''):
+ """
+ Set text content
+ """
+ self.content = str(content)
+
+ def add_toolbar(self):
+ """
+ Add toolbar
+ """
+ # Not implemented
+ pass
+
+ def on_set_focus(self, event):
+ """
+ send to the parenet the current panel on focus
+ """
+ pass
+
+ def add_image(self, plot):
+ """
+ Add Image
+ """
+ self.content = ''
+ self.textList = []
+ self.plots = {}
+ self.clear()
+ self.point = plot
+ try:
+ self.figure.delaxes(self.figure.axes[0])
+ self.subplot = self.figure.add_subplot(111)
+ #self.figure.delaxes(self.figure.axes[1])
+ except:
+ pass
+ try:
+ name = plot.name
+ except:
+ name = plot.filename
+ self.plots[name] = plot
+
+ #init graph
+ self.graph = Graph()
+
+ #add plot
+ self.graph.add(plot)
+ #draw
+ self.graph.render(self)
+
+ try:
+ self.figure.delaxes(self.figure.axes[1])
+ except:
+ pass
+ self.subplot.figure.canvas.resizing = False
+ self.subplot.tick_params(axis='both', labelsize=9)
+ # Draw zero axis lines
+ self.subplot.axhline(linewidth=1, color='r')
+ self.subplot.axvline(linewidth=1, color='r')
+
+ self.erase_legend()
+ try:
+ # mpl >= 1.1.0
+ self.figure.tight_layout()
+ except:
+ self.figure.subplots_adjust(left=0.1, bottom=0.1)
+ self.subplot.figure.canvas.draw()
+
+ def add_text(self):
+ """
+ Text in the plot
+ """
+ if not self.is_number:
+ return
+
+ self.clear()
+ try:
+ self.figure.delaxes(self.figure.axes[0])
+ self.subplot = self.figure.add_subplot(111)
+ self.figure.delaxes(self.figure.axes[1])
+ except:
+ pass
+ self.subplot.set_xticks([])
+ self.subplot.set_yticks([])
+ label = self.content
+ FONT = FontProperties()
+ xpos, ypos = (0.4, 0.5)
+ font = FONT.copy()
+ font.set_size(14)
+
+ self.textList = []
+ self.subplot.set_xlim((0, 1))
+ self.subplot.set_ylim((0, 1))
+
+ try:
+ if self.content != '?':
+ float(label)
+ except:
+ self.subplot.set_frame_on(False)
+ try:
+ # mpl >= 1.1.0
+ self.figure.tight_layout()
+ except:
+ self.figure.subplots_adjust(left=0.1, bottom=0.1)
+ if len(label) > 0 and xpos > 0 and ypos > 0:
+ new_text = self.subplot.text(str(xpos), str(ypos), str(label),
+ fontproperties=font)
+ self.textList.append(new_text)
+
+ def erase_legend(self):
+ """
+ Remove Legend
+ """
+ #for ax in self.axes:
+ self.remove_legend(self.subplot)
+
+ def onMouseMotion(self, event):
+ """
+ Disable dragging 2D image
+ """
+
+ def onWheel(self, event):
+ """
+ """
+
+ def onLeftDown(self, event):
+ """
+ Disables LeftDown
+ """
+
+ def onPick(self, event):
+ """
+ Remove Legend
+ """
+ for ax in self.axes:
+ self.remove_legend(ax)
+
+
+ def draw(self):
+ """
+ Draw
+ """
+ if self.dimension == 3:
+ pass
+ else:
+ self.subplot.figure.canvas.resizing = False
+ self.subplot.tick_params(axis='both', labelsize=9)
+ self.erase_legend()
+ self.subplot.figure.canvas.draw_idle()
+ try:
+ self.figure.delaxes(self.figure.axes[1])
+ except:
+ pass
+
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ id = wx.NewId()
+ slicerpop = wx.Menu()
+ data = self.point
+ if issubclass(data.__class__, Data1D):
+ slicerpop.Append(id, '&Change Scale')
+ wx.EVT_MENU(self, id, self._onProperties)
+ else:
+ slicerpop.Append(id, '&Toggle Linear/Log Scale')
+ wx.EVT_MENU(self, id, self.ontogglescale)
+ try:
+ # mouse event
+ pos_evt = event.GetPosition()
+ pos = self.ScreenToClient(pos_evt)
+ except:
+ # toolbar event
+ pos_x, pos_y = self.toolbar.GetPositionTuple()
+ pos = (pos_x, pos_y + 5)
+ self.PopupMenu(slicerpop, pos)
+
+ def ontogglescale(self, event):
+ """
+ On toggle 2d scale
+ """
+ self._onToggleScale(event)
+ try:
+ # mpl >= 1.1.0
+ self.figure.tight_layout()
+ except:
+ self.figure.subplots_adjust(left=0.1, bottom=0.1)
+ try:
+ self.figure.delaxes(self.figure.axes[1])
+ except:
+ pass
+
+ def _onProperties(self, event):
+ """
+ when clicking on Properties on context menu ,
+ The Property dialog is displayed
+ The user selects a transformation for x or y value and
+ a new plot is displayed
+ """
+ list = []
+ list = self.graph.returnPlottable()
+ if len(list.keys()) > 0:
+ first_item = list.keys()[0]
+ if first_item.x != []:
+ from sas.sasgui.plottools.PropertyDialog import Properties
+ dial = Properties(self, -1, 'Change Scale')
+ # type of view or model used
+ dial.xvalue.Clear()
+ dial.yvalue.Clear()
+ dial.view.Clear()
+ dial.xvalue.Insert("x", 0)
+ dial.xvalue.Insert("log10(x)", 1)
+ dial.yvalue.Insert("y", 0)
+ dial.yvalue.Insert("log10(y)", 1)
+ dial.view.Insert("--", 0)
+ dial.view.Insert("Linear y vs x", 1)
+ dial.setValues(self.prevXtrans, self.prevYtrans, self.viewModel)
+ dial.Update()
+ if dial.ShowModal() == wx.ID_OK:
+ self.xLabel, self.yLabel, self.viewModel = dial.getValues()
+ if self.viewModel == "Linear y vs x":
+ self.xLabel = "x"
+ self.yLabel = "y"
+ self.viewModel = "--"
+ dial.setValues(self.xLabel, self.yLabel, self.viewModel)
+ self._onEVT_FUNC_PROPERTY()
+ dial.Destroy()
+
+ def _onEVT_FUNC_PROPERTY(self, remove_fit=True):
+ """
+ Receive the x and y transformation from myDialog,
+ Transforms x and y in View
+ and set the scale
+ """
+ list = []
+ list = self.graph.returnPlottable()
+ # Changing the scale might be incompatible with
+ # currently displayed data (for instance, going
+ # from ln to log when all plotted values have
+ # negative natural logs).
+ # Go linear and only change the scale at the end.
+ self.set_xscale("linear")
+ self.set_yscale("linear")
+ _xscale = 'linear'
+ _yscale = 'linear'
+ for item in list:
+ item.setLabel(self.xLabel, self.yLabel)
+ # control axis labels from the panel itself
+ yname, yunits = item.get_yaxis()
+ xname, xunits = item.get_xaxis()
+ # Goes through all possible scales
+ # Goes through all possible scales
+ if(self.xLabel == "x"):
+ item.transformX(transform.toX, transform.errToX)
+ self.graph._xaxis_transformed("%s" % xname, "%s" % xunits)
+ if(self.xLabel == "log10(x)"):
+ item.transformX(transform.toX_pos, transform.errToX_pos)
+ _xscale = 'log'
+ self.graph._xaxis_transformed("%s" % xname, "%s" % xunits)
+ if(self.yLabel == "y"):
+ item.transformY(transform.toX, transform.errToX)
+ self.graph._yaxis_transformed("%s" % yname, "%s" % yunits)
+ if(self.yLabel == "log10(y)"):
+ item.transformY(transform.toX_pos, transform.errToX_pos)
+ _yscale = 'log'
+ self.graph._yaxis_transformed("%s" % yname, "%s" % yunits)
+ item.transformView()
+ self.prevXtrans = self.xLabel
+ self.prevYtrans = self.yLabel
+ self.set_xscale(_xscale)
+ self.set_yscale(_yscale)
+ self.draw()
+
+class DataOperatorWindow(widget.CHILD_FRAME):
+ def __init__(self, parent, manager, *args, **kwds):
+ kwds["size"] = (PANEL_WIDTH, PANEL_HEIGTH)
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self.panel = DataOperPanel(parent=self)
+ wx.EVT_CLOSE(self, self.OnClose)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show()
+
+ def OnClose(self, event=None):
+ """
+ On close event
+ """
+ if self.manager != None:
+ self.manager.data_operator_frame = None
+ self.panel.disconnect_panels()
+ self.Destroy()
+
+
+if __name__ == "__main__":
+
+ app = wx.App()
+ widget.CHILD_FRAME = wx.Frame
+ window = DataOperatorWindow(parent=None, data=[], title="Data Editor")
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/density_panel.py b/src/sas/sasgui/perspectives/calculator/density_panel.py
new file mode 100644
index 0000000..891ade4
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/density_panel.py
@@ -0,0 +1,460 @@
+"""
+This module provide GUI for the mass density calculator
+
+"""
+import wx
+import sys
+from sas.sasgui.guiframe.panel_base import PanelBase
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.guiframe.utils import check_float
+from sas.sasgui.guiframe.events import StatusEvent
+from periodictable import formula as Formula
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+AVOGADRO = 6.02214129e23
+_INPUTS = ['Mass Density', 'Molar Volume']
+_UNITS = ['g/cm^(3) ', 'cm^(3)/mol ']
+#Density panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ _STATICBOX_WIDTH = 410
+ _BOX_WIDTH = 200
+ PANEL_SIZE = 440
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ _STATICBOX_WIDTH = 430
+ _BOX_WIDTH = 200
+ PANEL_SIZE = 460
+ FONT_VARIANT = 1
+
+class DensityPanel(ScrolledPanel, PanelBase):
+ """
+ Provides the mass density calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Mass Density Calculator"
+ ## Name to appear on the window title bar
+ window_caption = "Mass Density Calculator"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+ def __init__(self, parent, base=None, *args, **kwds):
+ """
+ """
+ ScrolledPanel.__init__(self, parent, *args, **kwds)
+ PanelBase.__init__(self)
+ self.SetupScrolling()
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # Object that receive status event
+ self.base = base
+ self.parent = parent
+ # chemeical formula, string
+ self.compound = ''
+ # value of the density/volume, float
+ self.input = None
+ # text controls
+ self.compound_ctl = None
+ self.input_ctl = None
+ self.molar_mass_ctl = None
+ self.output_ctl = None
+ self.ctr_color = self.GetBackgroundColour()
+ # button
+ self.button_calculate = None
+ # list
+ self._input_list = _INPUTS
+ self._input = self._input_list[1]
+ self._output = self._input_list[0]
+ self._unit_list = _UNITS
+ #Draw the panel
+ self._do_layout()
+ self.SetAutoLayout(True)
+ self.Layout()
+
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ # units
+ unit_density = self._unit_list[0]
+ unit_volume = self._unit_list[1]
+
+ # sizers
+ sizer_input = wx.GridBagSizer(5, 5)
+ sizer_output = wx.GridBagSizer(5, 5)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer1 = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer2 = wx.BoxSizer(wx.HORIZONTAL)
+ sizer3 = wx.BoxSizer(wx.HORIZONTAL)
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ # inputs
+ inputbox = wx.StaticBox(self, -1, "Inputs")
+ boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
+ boxsizer1.SetMinSize((_STATICBOX_WIDTH, -1))
+ compound_txt = wx.StaticText(self, -1, 'Molecular Formula ')
+ self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ self.compound_eg1 = wx.StaticText(self, -1, ' e.g., H2O')
+ self.compound_eg2 = wx.StaticText(self, -1, 'e.g., D2O')
+ self.input_cb = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.input_cb, -1, self.on_select_input)
+ hint_input_name_txt = 'Mass or volume.'
+ self.input_cb.SetToolTipString(hint_input_name_txt)
+ unit_density1 = " " + unit_density
+ self.input_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ self.unit_input_density = wx.StaticText(self, -1, unit_density1)
+ self.unit_input_volume = wx.StaticText(self, -1, unit_volume)
+ iy = 0
+ ix = 0
+ sizer_input.Add(compound_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_input.Add(self.compound_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_input.Add(self.compound_eg1, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ sizer_input.Add(self.compound_eg2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.compound_eg1.Show(False)
+ iy += 1
+ ix = 0
+ sizer_input.Add(self.input_cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_input.Add(self.input_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_input.Add(self.unit_input_density, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.unit_input_density.Show(False)
+ sizer_input.Add(self.unit_input_volume, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ boxsizer1.Add(sizer_input)
+ self.sizer1.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+
+ # outputs
+ outputbox = wx.StaticBox(self, -1, "Outputs")
+ boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
+ boxsizer2.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ molar_mass_txt = wx.StaticText(self, -1, 'Molar Mass ')
+ self.molar_mass_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ self.molar_mass_ctl.SetEditable(False)
+ self.molar_mass_ctl.SetBackgroundColour(self.ctr_color)
+ self.molar_mass_unit1 = wx.StaticText(self, -1, ' g/mol')
+ self.molar_mass_unit2 = wx.StaticText(self, -1, 'g/mol')
+
+ self.output_cb = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.output_cb, -1, self.on_select_output)
+ hint_output_name_txt = 'Mass or volume.'
+ self.output_cb.SetToolTipString(hint_output_name_txt)
+ list = []
+ for item in self._input_list:
+ name = str(item)
+ list.append(name)
+ list.sort()
+ for idx in range(len(list)):
+ self.input_cb.Append(list[idx], idx)
+ self.output_cb.Append(list[idx], idx)
+ self.input_cb.SetStringSelection("Molar Volume")
+ self.output_cb.SetStringSelection("Mass Density")
+ unit_volume = " " + unit_volume
+ self.output_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ self.output_ctl.SetEditable(False)
+ self.output_ctl.SetBackgroundColour(self.ctr_color)
+ self.unit_output_density = wx.StaticText(self, -1, unit_density)
+ self.unit_output_volume = wx.StaticText(self, -1, unit_volume)
+ iy = 0
+ ix = 0
+ sizer_output.Add(molar_mass_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.molar_mass_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.molar_mass_unit1, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.molar_mass_unit2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.molar_mass_unit1.Show(False)
+ iy += 1
+ ix = 0
+ sizer_output.Add(self.output_cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.output_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.unit_output_volume,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.unit_output_density,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ self.unit_output_volume.Show(False)
+ boxsizer2.Add(sizer_output)
+ self.sizer2.Add(boxsizer2, 0, wx.EXPAND | wx.ALL, 10)
+
+ # buttons
+ id = wx.NewId()
+ self.button_calculate = wx.Button(self, id, "Calculate")
+ self.button_calculate.SetToolTipString("Calculate.")
+ self.Bind(wx.EVT_BUTTON, self.calculate, id=id)
+
+ id = wx.NewId()
+ self.button_help = wx.Button(self, id, "HELP")
+ self.button_help.SetToolTipString("Help for density calculator.")
+ self.Bind(wx.EVT_BUTTON, self.on_help, id=id)
+
+ self.button_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.button_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.button_close.SetToolTipString("Close this window.")
+
+ sizer_button.Add((100, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(self.button_calculate, 0,
+ wx.RIGHT | wx.ADJUST_MINSIZE, 20)
+ sizer_button.Add(self.button_help, 0,
+ wx.RIGHT | wx.ADJUST_MINSIZE, 20)
+ sizer_button.Add(self.button_close, 0,
+ wx.RIGHT | wx.ADJUST_MINSIZE, 20)
+ sizer3.Add(sizer_button)
+
+ # layout
+ vbox.Add(self.sizer1)
+ vbox.Add(self.sizer2)
+ vbox.Add(sizer3)
+ vbox.Fit(self)
+ self.SetSizer(vbox)
+
+ def on_select_input(self, event):
+ """
+ On selection of input combobox,
+ update units and output combobox
+ """
+ if event == None:
+ return
+ event.Skip()
+
+ combo = event.GetEventObject()
+ self._input = combo.GetValue()
+ for name in self._input_list:
+ if self._input != name:
+ self._output = name
+ break
+
+ self.set_values()
+
+ def on_select_output(self, event):
+ """
+ On selection of output combobox,
+ update units and input combobox
+ """
+ if event == None:
+ return
+ event.Skip()
+
+ combo = event.GetEventObject()
+ self._output = combo.GetValue()
+ for name in self._input_list:
+ if self._output != name:
+ self._input = name
+ break
+
+ self.set_values()
+
+ def set_values(self):
+ """
+ Sets units and combobox values
+ """
+ input, output = self.get_input()
+ if input is None:
+ return
+ # input
+ self.input_cb.SetValue(str(input))
+ # output
+ self.output_cb.SetValue(str(output))
+ # unit
+ if self._input_list.index(input) == 0:
+ self.molar_mass_unit1.Show(True)
+ self.molar_mass_unit2.Show(False)
+ self.compound_eg1.Show(True)
+ self.compound_eg2.Show(False)
+ self.unit_input_density.Show(True)
+ self.unit_output_volume.Show(True)
+ self.unit_input_volume.Show(False)
+ self.unit_output_density.Show(False)
+ else:
+ self.molar_mass_unit1.Show(False)
+ self.molar_mass_unit2.Show(True)
+ self.compound_eg1.Show(False)
+ self.compound_eg2.Show(True)
+ self.unit_input_volume.Show(True)
+ self.unit_output_density.Show(True)
+ self.unit_input_density.Show(False)
+ self.unit_output_volume.Show(False)
+ # layout
+ self.clear_outputs()
+ self.sizer1.Layout()
+ self.sizer2.Layout()
+
+ def get_input(self):
+ """
+ Return the current input and output combobox values
+ """
+ return self._input, self._output
+
+ def check_inputs(self):
+ """
+ Check validity user inputs
+ """
+ flag = True
+ msg = ""
+ if check_float(self.input_ctl):
+ self.input = float(self.input_ctl.GetValue())
+ else:
+ flag = False
+ input_type = str(self.input_cb.GetValue())
+ msg += "Error for %s value :expect float" % input_type
+
+ self.compound = self.compound_ctl.GetValue().lstrip().rstrip()
+ if self.compound != "":
+ try :
+ Formula(self.compound)
+ self.compound_ctl.SetBackgroundColour(wx.WHITE)
+ self.compound_ctl.Refresh()
+ except:
+ self.compound_ctl.SetBackgroundColour("pink")
+ self.compound_ctl.Refresh()
+ flag = False
+ msg += "Enter correct formula"
+ else:
+ self.compound_ctl.SetBackgroundColour("pink")
+ self.compound_ctl.Refresh()
+ flag = False
+ msg += "Enter Formula"
+ return flag, msg
+
+
+ def calculate(self, event):
+ """
+ Calculate the mass Density/molar Volume of the molecules
+ """
+ self.clear_outputs()
+ try:
+ #Check validity user inputs
+ flag, msg = self.check_inputs()
+ if self.base is not None and msg.lstrip().rstrip() != "":
+ msg = "Density/Volume Calculator: %s" % str(msg)
+ wx.PostEvent(self.base, StatusEvent(status=msg))
+ if not flag:
+ return
+ #get ready to compute
+ mol_formula = Formula(self.compound)
+ molar_mass = float(mol_formula.molecular_mass) * AVOGADRO
+ output = self._format_number(molar_mass / self.input)
+ self.molar_mass_ctl.SetValue(str(self._format_number(molar_mass)))
+ self.output_ctl.SetValue(str(output))
+ except:
+ if self.base is not None:
+ msg = "Density/Volume Calculator: %s" % (sys.exc_value)
+ wx.PostEvent(self.base, StatusEvent(status=msg))
+ if event is not None:
+ event.Skip()
+
+ def on_help(self, event):
+ """
+ Bring up the density/volume calculator Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "density_calculator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Density/Volume Calculator Help")
+
+ def on_close(self, event):
+ """
+ close the window containing this panel
+ """
+ self.parent.Close()
+
+ def clear_outputs(self):
+ """
+ Clear the outputs textctrl
+ """
+ self.molar_mass_ctl.SetValue("")
+ self.output_ctl.SetValue("")
+
+ def _format_number(self, value=None):
+ """
+ Return a float in a standardized, human-readable formatted string
+ """
+ try:
+ value = float(value)
+ except:
+ output = ''
+ return output
+
+ output = "%-12.5f" % value
+ return output.lstrip().rstrip()
+
+class DensityWindow(widget.CHILD_FRAME):
+ """
+ """
+ def __init__(self, parent=None, title="Density/Volume Calculator",
+ base=None, manager=None,
+ size=(PANEL_SIZE * 1.05, PANEL_SIZE / 1.55), *args, **kwds):
+ """
+ """
+ kwds['title'] = title
+ kwds['size'] = size
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwds)
+ """
+ """
+ self.manager = manager
+ self.panel = DensityPanel(self, base=base)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def on_close(self, event):
+ """
+ On close event
+ """
+ if self.manager != None:
+ self.manager.cal_md_frame = None
+ self.Destroy()
+
+
+class ViewApp(wx.App):
+ """
+ """
+ def OnInit(self):
+ """
+ """
+ widget.CHILD_FRAME = wx.Frame
+ frame = DensityWindow(None, title="Density/Volume Calculator")
+ frame.Show(True)
+ self.SetTopWindow(frame)
+ return True
+
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/detector_editor.py b/src/sas/sasgui/perspectives/calculator/detector_editor.py
new file mode 100644
index 0000000..cdf1332
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/detector_editor.py
@@ -0,0 +1,859 @@
+
+import wx
+import sys
+from copy import deepcopy
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sasgui.guiframe.utils import check_float
+
+_BOX_WIDTH = 60
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 465
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 450
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 550
+ PANEL_HEIGHT = 480
+ FONT_VARIANT = 1
+
+class DetectorDialog(wx.Dialog):
+ def __init__(self, parent=None, manager=None, detector=None,
+ title="Detector Editor",
+ size=(PANEL_WIDTH, PANEL_HEIGHT)):
+ wx.Dialog.__init__(self, parent=parent, id=id, title=title, size=size)
+ try:
+ self.parent = parent
+ self.manager = manager
+ self._detector = detector
+
+ self._reset_detector = deepcopy(detector)
+ self._notes = ""
+ self._description = "Edit Detector"
+ self._do_layout()
+ self.set_values()
+ except:
+ print "error", sys.exc_value
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_detector = wx.StaticBox(self, -1, str("Edit Selected Detector"))
+ self.boxsizer_detector = wx.StaticBoxSizer(self.box_detector,
+ wx.VERTICAL)
+ detector_box = wx.StaticBox(self, -1, "Edit Number of Detectors")
+ self.detector_sizer = wx.StaticBoxSizer(detector_box, wx.VERTICAL)
+ self.detector_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ self.detector_button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.detector_hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.detector_button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.detector_hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.instrument_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.distance_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.offset_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.orientation_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.beam_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.pixel_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.slit_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_detector(self):
+ """
+ Do the layout for detector related widgets
+ """
+ detector_name_txt = wx.StaticText(self, -1, "Detector:")
+ hint_detector_txt = 'Current available detector.'
+ detector_name_txt.SetToolTipString(hint_detector_txt)
+ self.detector_cbox = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ hint_detector_name_txt = 'Name of detectors.'
+ self.detector_cbox.SetToolTipString(hint_detector_name_txt)
+
+ self.bt_add_detector = wx.Button(self, -1, "Add")
+ self.bt_add_detector.SetToolTipString("Add data's detector.")
+ self.bt_add_detector.Bind(wx.EVT_BUTTON, self.add_detector)
+
+ self.bt_remove_detector = wx.Button(self, -1, "Remove")
+ self.bt_remove_detector.SetToolTipString("Remove data's detector.")
+ self.bt_remove_detector.Bind(wx.EVT_BUTTON, self.remove_detector)
+
+ self.detector_button_sizer.AddMany([(detector_name_txt, 0, wx.LEFT, 15),
+ (self.detector_cbox, 0, wx.LEFT, 5),
+ (self.bt_add_detector, 0, wx.LEFT, 10),
+ (self.bt_remove_detector, 0, wx.LEFT, 5)])
+ detector_hint_txt = 'No detector is available for this data.'
+ self.detector_txt = wx.StaticText(self, -1, detector_hint_txt)
+ self.detector_hint_sizer.Add(self.detector_txt, 0, wx.LEFT, 10)
+ self.detector_sizer.AddMany([(self.detector_button_sizer, 0,
+ wx.ALL, 10),
+ (self.detector_hint_sizer, 0, wx.ALL, 10)])
+
+ self.fill_detector_combox()
+ self.enable_detector()
+
+ def _layout_instrument_sizer(self):
+ """
+ Do the layout for instrument related widgets
+ """
+ #Instrument
+ instrument_name_txt = wx.StaticText(self, -1, 'Instrument Name : ')
+ self.instrument_name_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH * 5, 20), style=0)
+ self.instrument_sizer.AddMany([(instrument_name_txt, 0,
+ wx.LEFT | wx.RIGHT, 10),
+ (self.instrument_name_tcl, 0, wx.EXPAND)])
+ def _layout_distance(self):
+ """
+ Do the layout for distance related widgets
+ """
+ distance_txt = wx.StaticText(self, -1, 'Sample to Detector Distance : ')
+ self.distance_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ distance_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.distance_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.distance_sizer.AddMany([(distance_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.distance_tcl, 0, wx.RIGHT, 10),
+ (distance_unit_txt, 0, wx.EXPAND),
+ (self.distance_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_offset(self):
+ """
+ Do the layout for offset related widgets
+ """
+ #Offset
+ offset_txt = wx.StaticText(self, -1, 'Offset:')
+ x_offset_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_offset_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_offset_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_offset_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_offset_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_offset_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ offset_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.offset_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.offset_sizer.AddMany([(offset_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (x_offset_txt, 0, wx.LEFT, 30),
+ (self.x_offset_tcl, 0, wx.RIGHT, 10),
+ (y_offset_txt, 0, wx.EXPAND),
+ (self.y_offset_tcl, 0, wx.RIGHT, 10),
+ (z_offset_txt, 0, wx.EXPAND),
+ (self.z_offset_tcl, 0, wx.RIGHT, 10),
+ (offset_unit_txt, 0, wx.EXPAND),
+ (self.offset_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_orientation(self):
+ """
+ Do the layout for orientation related widgets
+ """
+ #Orientation
+ orientation_txt = wx.StaticText(self, -1, 'Orientation:')
+ x_orientation_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_orientation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_orientation_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_orientation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_orientation_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_orientation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ orientation_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.orientation_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.orientation_sizer.AddMany([(orientation_txt, 0,
+ wx.LEFT | wx.RIGHT, 10),
+ (x_orientation_txt, 0, wx.LEFT, 7),
+ (self.x_orientation_tcl, 0, wx.RIGHT, 10),
+ (y_orientation_txt, 0, wx.EXPAND),
+ (self.y_orientation_tcl, 0, wx.RIGHT, 10),
+ (z_orientation_txt, 0, wx.EXPAND),
+ (self.z_orientation_tcl, 0, wx.RIGHT, 10),
+ (orientation_unit_txt, 0, wx.EXPAND),
+ (self.orientation_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_beam_center(self):
+ """
+ Do the layout for beam center related widgets
+ """
+ #Beam center
+ beam_center_txt = wx.StaticText(self, -1, 'Beam Center:')
+ x_beam_center_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_beam_center_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_beam_center_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_beam_center_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_beam_center_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_beam_center_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ beam_center_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.beam_center_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.beam_sizer.AddMany([(beam_center_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (x_beam_center_txt, 0, wx.EXPAND),
+ (self.x_beam_center_tcl, 0, wx.RIGHT, 10),
+ (y_beam_center_txt, 0, wx.EXPAND),
+ (self.y_beam_center_tcl, 0, wx.RIGHT, 10),
+ (z_beam_center_txt, 0, wx.EXPAND),
+ (self.z_beam_center_tcl, 0, wx.RIGHT, 10),
+ (beam_center_unit_txt, 0, wx.EXPAND),
+ (self.beam_center_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_pixel_size(self):
+ """
+ Do the layout for pixel size related widgets
+ """
+ #Pixel Size
+ pixel_size_txt = wx.StaticText(self, -1, 'Pixel Size:')
+ x_pixel_size_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_pixel_size_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_pixel_size_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_pixel_size_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_pixel_size_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_pixel_size_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ pixel_size_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.pixel_size_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.pixel_sizer.AddMany([(pixel_size_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (x_pixel_size_txt, 0, wx.LEFT, 17),
+ (self.x_pixel_size_tcl, 0, wx.RIGHT, 10),
+ (y_pixel_size_txt, 0, wx.EXPAND),
+ (self.y_pixel_size_tcl, 0, wx.RIGHT, 10),
+ (z_pixel_size_txt, 0, wx.EXPAND),
+ (self.z_pixel_size_tcl, 0, wx.RIGHT, 10),
+ (pixel_size_unit_txt, 0, wx.EXPAND),
+ (self.pixel_size_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_slit_length(self):
+ """
+ Do the layout for slit length related widgets
+ """
+ #slit length
+ slit_length_txt = wx.StaticText(self, -1, 'Slit Length: ')
+ self.slit_length_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ slit_length_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.slit_length_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.slit_sizer.AddMany([(slit_length_txt, 0, wx.LEFT, 10),
+ (self.slit_length_tcl, 0, wx.RIGHT, 10),
+ (slit_length_unit_txt, 0, wx.EXPAND),
+ (self.slit_length_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, 'Apply')
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+ self.bt_apply.SetToolTipString("Apply current changes to the detector.")
+ self.bt_cancel = wx.Button(self, -1, 'Cancel')
+ self.bt_cancel.SetToolTipString("Cancel current changes.")
+ self.bt_cancel.Bind(wx.EVT_BUTTON, self.on_click_cancel)
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.SetToolTipString("Close window.")
+ self.button_sizer.AddMany([(self.bt_apply, 0, wx.LEFT, 200),
+ (self.bt_cancel, 0, wx.LEFT, 10),
+ (self.bt_close, 0, wx.LEFT, 10)])
+
+ def _do_layout(self, data=None):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_detector()
+ self._layout_instrument_sizer()
+ self._layout_distance()
+ self._layout_offset()
+ self._layout_orientation()
+ self._layout_beam_center()
+ self._layout_pixel_size()
+ self._layout_slit_length()
+ self._layout_button()
+
+ self.boxsizer_detector.AddMany([(self.instrument_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.distance_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.offset_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.orientation_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.beam_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.pixel_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.slit_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.main_sizer.AddMany([(self.detector_sizer, 0, wx.ALL, 10),
+ (self.boxsizer_detector, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def reset_detector(self):
+ """
+ put the default value of the detector back to the current detector
+ """
+ self._detector = deepcopy(self._reset_detector)
+ self.detector_cbox.Clear()
+ self.fill_detector_combox()
+ self.set_values()
+
+ def set_manager(self, manager):
+ """
+ Set manager of this window
+ """
+ self.manager = manager
+
+ def fill_detector_combox(self):
+ """
+ fill the current combobox with the available detector
+ """
+ for detector in self._detector:
+ pos = self.detector_cbox.Append(str(detector.name))
+ self.detector_cbox.SetClientData(pos, detector)
+ self.detector_cbox.SetSelection(pos)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def reset_detector_combobox(self, edited_detector):
+ """
+ take all edited editor and reset clientdata of detector combo box
+ """
+ for position in range(self.detector_cbox.GetCount()):
+ detector = self.detector_cbox.GetClientData(position)
+ if detector == edited_detector:
+ detector = edited_detector
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def add_detector(self, event):
+ """
+ Append empty detector to data's list of detector
+ """
+
+ if not self.detector_cbox.IsEnabled():
+ self.detector_cbox.Enable()
+ detector = Detector()
+ self._detector.append(detector)
+ position = self.detector_cbox.Append(str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetSelection(position)
+ self.enable_detector()
+ self.set_values()
+
+ def remove_detector(self, event):
+ """
+ Remove detector to data's list of detector
+ """
+ if self.detector_cbox.IsEnabled():
+ if self.detector_cbox.GetCount() > 1:
+ position = self.detector_cbox.GetCurrentSelection()
+ detector = self.detector_cbox.GetClientData(position)
+ if detector in self._detector:
+ self._detector.remove(detector)
+ self.detector_cbox.Delete(position)
+ #set the combo box box the next available item
+ position = self.detector_cbox.GetCount()
+ if position > 0:
+ position -= 1
+ self.detector_cbox.SetSelection(position)
+ self.set_values()
+ #disable or enable the combo box when necessary
+ self.enable_detector()
+
+ def enable_detector(self):
+ """
+ Enable /disable widgets crelated to detector
+ """
+ if self._detector is not None and self.detector_cbox.GetCount() > 0:
+ self.detector_cbox.Enable()
+ self.bt_remove_detector.Enable()
+ n_detector = self.detector_cbox.GetCount()
+ detector_hint_txt = 'Detectors available: %s ' % str(n_detector)
+ if len(self._detector) > 1:
+ self.bt_remove_detector.Enable()
+ else:
+ self.bt_remove_detector.Disable()
+ else:
+ self.detector_cbox.Disable()
+ self.bt_remove_detector.Disable()
+ detector_hint_txt = 'No detector is available for this data.'
+ self.detector_txt.SetLabel(detector_hint_txt)
+
+ def set_detector(self, detector):
+ """
+ set detector for data
+ """
+ if self._detector is None:
+ return
+ if self._detector:
+ for item in self._detector:
+ if item == detector:
+ item = detector
+ self.reset_detector_combobox(edited_detector=detector)
+ return
+
+ def get_current_detector(self):
+ """
+ """
+ if not self.detector_cbox.IsEnabled():
+ return None, None, None
+ position = self.detector_cbox.GetSelection()
+ if position == wx.NOT_FOUND:
+ return None, None, None
+ detector_name = self.detector_cbox.GetStringSelection()
+ detector = self.detector_cbox.GetClientData(position)
+ return detector, detector_name, position
+
+ def set_values(self):
+ """
+ take the detector values of the current data and display them
+ through the panel
+ """
+ detector, _, _ = self.get_current_detector()
+ if detector is None:
+ return
+ self.instrument_name_tcl.SetValue(str(detector.name))
+ #Distance
+ distance = detector.distance
+ self.distance_tcl.SetValue(str(distance))
+ self.distance_unit_tcl.SetValue(str(detector.distance_unit))
+ #Offset
+ x, y, z = detector.offset.x, detector.offset.y , detector.offset.z
+ self.x_offset_tcl.SetValue(str(x))
+ self.y_offset_tcl.SetValue(str(y))
+ self.z_offset_tcl.SetValue(str(z))
+ self.offset_unit_tcl.SetValue(str(detector.offset_unit))
+ #Orientation
+ x, y = detector.orientation.x, detector.orientation.y
+ z = detector.orientation.z
+ self.x_orientation_tcl.SetValue(str(x))
+ self.y_orientation_tcl.SetValue(str(y))
+ self.z_orientation_tcl.SetValue(str(z))
+ self.orientation_unit_tcl.SetValue(str(detector.orientation_unit))
+ #Beam center
+ x, y = detector.beam_center.x, detector.beam_center.y
+ z = detector.beam_center.z
+ self.x_beam_center_tcl.SetValue(str(x))
+ self.y_beam_center_tcl.SetValue(str(y))
+ self.z_beam_center_tcl.SetValue(str(z))
+ self.beam_center_unit_tcl.SetValue(str(detector.beam_center_unit))
+ #Pixel size
+ x, y = detector.pixel_size.x, detector.pixel_size.y
+ z = detector.pixel_size.z
+ self.x_pixel_size_tcl.SetValue(str(x))
+ self.y_pixel_size_tcl.SetValue(str(y))
+ self.z_pixel_size_tcl.SetValue(str(z))
+ self.pixel_size_unit_tcl.SetValue(str(detector.pixel_size_unit))
+ #Slit length
+ slit_length = detector.slit_length
+ self.slit_length_tcl.SetValue(str(detector.slit_length))
+ self.slit_length_unit_tcl.SetValue(str(detector.slit_length_unit))
+
+ def get_detector(self):
+ """
+ return the current detector
+ """
+ return self._detector
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_instrument(self):
+ """
+ Change instrument
+ """
+ detector, detector_name, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change the name of the detector
+ name = self.instrument_name_tcl.GetValue().lstrip().rstrip()
+ if name == "" or name == str(None):
+ name = None
+ if detector_name != name:
+ self._notes += " Instrument's "
+ self._notes += "name from %s to %s \n" % (detector_name, name)
+ detector.name = name
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_change_distance(self):
+ """
+ Change distance of the sample to the detector
+ """
+ detector, _, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change the distance
+ distance = self.distance_tcl.GetValue().lstrip().rstrip()
+ if distance == "" or distance == str(None):
+ distance = None
+ detector.distance = distance
+ else:
+ if check_float(self.distance_tcl):
+ if detector.distance != float(distance):
+ self._notes += " Change Distance from"
+ self._notes += " %s to %s \n" % (detector.distance, distance)
+ detector.distance = float(distance)
+ else:
+ self._notes += "Error: Expected a float for "
+ self._notes += " the distance won't changes "
+ self._notes += "%s to %s" % (detector.distance, distance)
+ #change the distance unit
+ unit = self.distance_unit_tcl.GetValue().lstrip().rstrip()
+ if detector.distance_unit != unit:
+ self._notes += " Change distance's unit from "
+ self._notes += "%s to %s" % (detector.distance_unit, unit)
+
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_change_offset(self):
+ """
+ Change the detector offset
+ """
+ detector, _, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change x coordinate
+ x_offset = self.x_offset_tcl.GetValue().lstrip().rstrip()
+ if x_offset == "" or x_offset == str(None):
+ x_offset = None
+ detector.offset.x = x_offset
+ else:
+ if check_float(self.x_offset_tcl):
+ if detector.offset.x != float(x_offset):
+ self._notes += "Change x of offset from"
+ self._notes += " %s to %s \n" % (detector.offset.x,
+ x_offset)
+ detector.offset.x = float(x_offset)
+ else:
+ self._notes += "Error: Expected a float for the offset 's x "
+ self._notes += "won't changes x offset"
+ self._notes += " from %s to %s" % (detector.offset.x, x_offset)
+ #Change y coordinate
+ y_offset = self.y_offset_tcl.GetValue().lstrip().rstrip()
+ if y_offset == "" or y_offset == str(None):
+ y_offset = None
+ detector.offset.y = y_offset
+ else:
+ if check_float(self.y_offset_tcl):
+ if detector.offset.y != float(y_offset):
+ self._notes += "Change y of offset from "
+ self._notes += "%s to %s \n" % (detector.offset.y, y_offset)
+ detector.offset.y = float(y_offset)
+ else:
+ self._notes += "Error: Expected a float for the offset 's y "
+ self._notes += "won't changes y "
+ self._notes += "offset from %s to %s" % (detector.offset.y,
+ y_offset)
+ #Change z coordinate
+ z_offset = self.z_offset_tcl.GetValue().lstrip().rstrip()
+ if z_offset == "" or z_offset == str(None):
+ z_offset = None
+ detector.offset.z = z_offset
+ else:
+ if check_float(self.z_offset_tcl):
+ if detector.offset.z != float(z_offset):
+ self._notes += "Change z of offset from"
+ self._notes += " %s to %s \n" % (detector.offset.z,
+ z_offset)
+ detector.offset.z = float(z_offset)
+ else:
+ self._notes += "Error: Expected a float for the offset 's x "
+ self._notes += "won't changes z"
+ self._notes += "offset from %s to %s" % (detector.offset.z,
+ z_offset)
+ #change the offset unit
+ unit = self.offset_unit_tcl.GetValue().lstrip().rstrip()
+ if detector.offset_unit != unit:
+ self._notes += " Change Offset's"
+ self._notes += "unit from %s to %s" % (detector.offset_unit, unit)
+
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_change_orientation(self):
+ """
+ Change the detector orientation
+ """
+ detector, _, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change x coordinate
+ x_orientation = self.x_orientation_tcl.GetValue().lstrip().rstrip()
+ if x_orientation == "" or x_orientation == str(None):
+ x_orientation = None
+ detector.orientation.x = x_orientation
+ else:
+ if check_float(self.x_orientation_tcl):
+ if detector.orientation.x != float(x_orientation):
+ self._notes += "Change x of orientation from "
+ self._notes += "%s to %s \n" % (detector.orientation.x,
+ x_orientation)
+ detector.orientation.x = float(x_orientation)
+ else:
+ self._notes += "Error: Expected a float for the orientation "
+ self._notes += "'s x won't changes x orientation from "
+ self._notes += "%s to %s" % (detector.orientation.x,
+ x_orientation)
+ #Change y coordinate
+ y_orientation = self.y_orientation_tcl.GetValue().lstrip().rstrip()
+ if y_orientation == "" or y_orientation == str(None):
+ y_orientation = None
+ detector.orientation.y = y_orientation
+ else:
+ if check_float(self.y_orientation_tcl):
+ if detector.orientation.y != float(y_orientation):
+ self._notes += "Change y of orientation from "
+ self._notes += "%s to %s \n" % (detector.orientation.y,
+ y_orientation)
+ detector.orientation.y = float(y_orientation)
+ else:
+ self._notes += "Error: Expected a float for the orientation's "
+ self._notes += " y won't changes y orientation from "
+ self._notes += "%s to %s" % (detector.orientation.y,
+ y_orientation)
+ #Change z coordinate
+ z_orientation = self.z_orientation_tcl.GetValue().lstrip().rstrip()
+ if z_orientation == "" or z_orientation == str(None):
+ z_orientation = None
+ detector.orientation.z = z_orientation
+ else:
+ if check_float(self.z_orientation_tcl):
+ if detector.orientation.z != float(z_orientation):
+ self._notes += "Change z of offset from "
+ self._notes += "%s to %s \n" % (detector.orientation.z,
+ z_orientation)
+ detector.orientation.z = float(z_orientation)
+ else:
+ self._notes += "Error: Expected a float for the orientation 's"
+ self._notes += " x won't changes z orientation from "
+ self._notes += "%s to %s" % (detector.orientation.z,
+ z_orientation)
+ #change the orientation unit
+ unit = self.orientation_unit_tcl.GetValue().lstrip().rstrip()
+ if detector.orientation_unit != unit:
+ self._notes += " Change orientation's unit from "
+ self._notes += "%s to %s" % (detector.orientation_unit, unit)
+
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_change_beam_center(self):
+ """
+ Change the detector beam center
+ """
+
+ detector, _, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change x coordinate
+ x_beam_center = self.x_beam_center_tcl.GetValue().lstrip().rstrip()
+ if x_beam_center == "" or x_beam_center == str(None):
+ x_beam_center = None
+ detector.beam_center.x = x_beam_center
+ else:
+ if check_float(self.x_beam_center_tcl):
+ if detector.beam_center.x != float(x_beam_center):
+ self._notes += "Change x of offset from "
+ self._notes += "%s to %s \n" % (detector.beam_center.x,
+ x_beam_center)
+ detector.beam_center.x = float(x_beam_center)
+ else:
+ self._notes += "Error: Expected a float for the beam "
+ self._notes += "center 's x won't changes x beam center from "
+ self._notes += "%s to %s" % (detector.beam_center.x,
+ x_beam_center)
+ #Change y coordinate
+ y_beam_center = self.y_beam_center_tcl.GetValue().lstrip().rstrip()
+ if y_beam_center == "" or y_beam_center == str(None):
+ y_beam_center = None
+ detector.beam_center.y = y_beam_center
+ else:
+ if check_float(self.y_beam_center_tcl):
+ if detector.beam_center.y != float(y_beam_center):
+ self._notes += "Change y of beam center from "
+ self._notes += "%s to %s \n" % (detector.beam_center.y,
+ y_beam_center)
+ detector.beam_center.y = float(y_beam_center)
+ else:
+ self._notes += "Error: Expected a float for the beam "
+ self._notes += "center 's y won't changes y beam center from "
+ self._notes += "%s to %s" % (detector.beam_center.y,
+ y_beam_center)
+ #Change z coordinate
+ z_beam_center = self.z_beam_center_tcl.GetValue().lstrip().rstrip()
+ if z_beam_center == "" or z_beam_center == str(None):
+ z_beam_center = None
+ detector.beam_center.z = z_beam_center
+ else:
+ if check_float(self.z_beam_center_tcl):
+ if detector.beam_center.z != float(z_beam_center):
+ self._notes += "Change z of beam center from "
+ self._notes += "%s to %s \n" % (detector.beam_center.z,
+ z_beam_center)
+ detector.beam_center.z = float(z_beam_center)
+ else:
+ self._notes += "Error: Expected a float for the offset 's x "
+ self._notes += "won't changes z beam center from "
+ self._notes += "%s to %s" % (detector.beam_center.z,
+ z_beam_center)
+ #change the beam center unit
+ unit = self.beam_center_unit_tcl.GetValue().lstrip().rstrip()
+ if detector.beam_center_unit != unit:
+ self._notes += " Change beam center's unit from "
+ self._notes += "%s to %s" % (detector.beam_center_unit, unit)
+
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_change_pixel_size(self):
+ """
+ Change the detector pixel size
+ """
+ detector, _, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change x coordinate
+ x_pixel_size = self.x_pixel_size_tcl.GetValue().lstrip().rstrip()
+ if x_pixel_size == "" or x_pixel_size == str(None):
+ x_pixel_size = None
+ else:
+ if check_float(self.x_pixel_size_tcl):
+ if detector.pixel_size.x != float(x_pixel_size) :
+ self._notes += "Change x of pixel size from "
+ self._notes += "%s to %s \n" % (detector.pixel_size.x,
+ x_pixel_size)
+ detector.pixel_size.x = float(x_pixel_size)
+ else:
+ self._notes += "Error: Expected a float for the pixel"
+ self._notes += " size 's x won't changes x pixel size from "
+ self._notes += "%s to %s" % (detector.pixel_size.x,
+ x_pixel_size)
+ #Change y coordinate
+ y_pixel_size = self.y_pixel_size_tcl.GetValue().lstrip().rstrip()
+ if y_pixel_size == "" or y_pixel_size == str(None):
+ y_pixel_size = None
+ detector.pixel_size.y = y_pixel_size
+ else:
+ if check_float(self.y_pixel_size_tcl):
+ if detector.pixel_size.y != float(y_pixel_size):
+ self._notes += "Change y of pixel size from "
+ self._notes += "%s to %s \n" % (detector.pixel_size.y,
+ y_pixel_size)
+ detector.pixel_size.y = float(y_pixel_size)
+ else:
+ self._notes += "Error: Expected a float for the pixel "
+ self._notes += "size's y won't changes y pixel size from "
+ self._notes += "%s to %s" % (detector.pixel_size.y,
+ y_pixel_size)
+ #Change z coordinate
+ z_pixel_size = self.z_pixel_size_tcl.GetValue().lstrip().rstrip()
+ if z_pixel_size == "" or z_pixel_size == str(None):
+ z_pixel_size = None
+ detector.pixel_size.z = z_pixel_size
+ else:
+ if check_float(self.z_pixel_size_tcl):
+ if detector.pixel_size.z != float(z_pixel_size):
+ self._notes += "Change z of pixel size from "
+ self._notes += "%s to %s \n" % (detector.pixel_size.z,
+ z_pixel_size)
+ detector.pixel_size.z = float(z_pixel_size)
+ else:
+ self._notes += "Error: Expected a float for the offset 's x "
+ self._notes += "won't changes z pixel size from "
+ self._notes += "%s to %s" % (detector.pixel_size.z, z_pixel_size)
+ #change the beam center unit
+ unit = self.pixel_size_unit_tcl.GetValue().lstrip().rstrip()
+ if detector.pixel_size_unit != unit:
+ self._notes += " Change pixel size's unit from "
+ self._notes += "%s to %s" % (detector.pixel_size_unit, unit)
+
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_change_slit_length(self):
+ """
+ Change slit length of the detector
+ """
+ detector, _, position = self.get_current_detector()
+ if detector is None:
+ return
+ #Change the distance
+ slit_length = self.slit_length_tcl.GetValue().lstrip().rstrip()
+ if slit_length == "" or slit_length == str(None):
+ slit_length = None
+ detector.slit_length = slit_length
+ else:
+ if check_float(self.slit_length_tcl):
+ if detector.slit_length != float(slit_length):
+ self._notes += " Change slit length from"
+ self._notes += " %s to %s \n" % (detector.slit_length,
+ slit_length)
+ detector.slit_length = float(slit_length)
+ else:
+ self._notes += "Error: Expected a float"
+ self._notes += " for the slit length won't changes "
+ self._notes += "%s to %s" % (detector.slit_length, slit_length)
+ #change the distance unit
+ unit = self.slit_length_unit_tcl.GetValue().lstrip().rstrip()
+ if detector.slit_length_unit != unit:
+ self._notes += " Change slit length's unit from "
+ self._notes += "%s to %s" % (detector.slit_length_unit_tcl, unit)
+
+ self.detector_cbox.SetString(position, str(detector.name))
+ self.detector_cbox.SetClientData(position, detector)
+ self.detector_cbox.SetStringSelection(str(detector.name))
+
+ def on_click_cancel(self, event):
+ """
+ reset the current detector to its initial values
+ """
+ self.reset_detector()
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_detector(self._detector)
+
+ def on_click_apply(self, event):
+ """
+ Apply user values to the detector
+ """
+ self.on_change_instrument()
+ self.on_change_distance()
+ self.on_change_instrument()
+ self.on_change_beam_center()
+ self.on_change_offset()
+ self.on_change_orientation()
+ self.on_change_pixel_size()
+ self.on_change_slit_length()
+ for detector in self._detector:
+ self.manager.set_detector(self._detector, self._notes)
+
+if __name__ == "__main__":
+ app = wx.App()
+ test_detector = Detector()
+ dlg = DetectorDialog(detector=[test_detector])
+ dlg.ShowModal()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/gen_scatter_panel.py b/src/sas/sasgui/perspectives/calculator/gen_scatter_panel.py
new file mode 100644
index 0000000..7318ec7
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/gen_scatter_panel.py
@@ -0,0 +1,2059 @@
+"""
+Generic Scattering panel.
+This module relies on guiframe manager.
+"""
+
+import wx
+import sys
+import os
+import numpy
+#import math
+import wx.aui as aui
+#import wx.lib.agw.aui as aui
+import logging
+import time
+
+import matplotlib
+matplotlib.interactive(False)
+#Use the WxAgg back end. The Wx one takes too long to render
+matplotlib.use('WXAgg')
+
+#from sas.sasgui.guiframe.gui_manager import MDIFrame
+from sas.sascalc.data_util.calcthread import CalcThread
+from sas.sasgui.guiframe.local_perspectives.plotting.SimplePlot import PlotFrame
+from sas.sasgui.guiframe.dataFitting import Data2D
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sascalc.dataloader.data_info import Source
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sascalc.calculator import sas_gen
+from sas.sasgui.perspectives.calculator.calculator_widgets import OutputTextCtrl
+from sas.sasgui.perspectives.calculator.calculator_widgets import InputTextCtrl
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.perspectives.calculator.load_thread import GenReader
+from sas.sasgui.plottools.arrow3d import Arrow3D
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+_BOX_WIDTH = 76
+#Slit length panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ PANEL_WIDTH = 570
+ PANEL_HEIGHT = 370
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ PANEL_WIDTH = 620
+ PANEL_HEIGHT = 370
+ FONT_VARIANT = 1
+_QMAX_DEFAULT = 0.3
+_NPTS_DEFAULT = 50
+_Q1D_MIN = 0.001
+
+def add_icon(parent, frame):
+ """
+ Add icon in the frame
+ """
+ if parent != None:
+ if hasattr(frame, "IsIconized"):
+ if not frame.IsIconized():
+ try:
+ icon = parent.GetIcon()
+ frame.SetIcon(icon)
+ except:
+ pass
+
+def _set_error(panel, item, show_msg=False):
+ """
+ Set_error dialog
+ """
+ if item != None:
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ if show_msg:
+ msg = "Error: wrong (or out of range) value entered."
+ if panel.parent.parent != None:
+ wx.PostEvent(panel.parent.parent,
+ StatusEvent(status=msg, info='Error'))
+ panel.SetFocus()
+ return False
+
+
+
+class CalcGen(CalcThread):
+ """
+ Computation
+ """
+ def __init__(self,
+ id= -1,
+ input=None,
+ completefn=None,
+ updatefn=None,
+ #elapsed = 0,
+ yieldtime=0.01,
+ worktime=0.01):
+ """
+ """
+ CalcThread.__init__(self, completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.starttime = 0
+ self.id = id
+ self.input = input
+ self.update_fn = updatefn
+
+ def compute(self):
+ """
+ excuting computation
+ """
+ #elapsed = time.time() - self.starttime
+ self.starttime = time.time()
+ self.complete(input=self.input, update=self.update_fn)
+
+class SasGenPanel(ScrolledPanel, PanelBase):
+ """
+ Provides the sas gen calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Generic SAS Calculator"
+ ## Name to appear on the window title bar
+ window_caption = "Generic SAS "
+
+ def __init__(self, parent, *args, **kwds):
+ ScrolledPanel.__init__(self, parent, style=wx.RAISED_BORDER,
+ *args, **kwds)
+ #kwds['style'] = wx.SUNKEN_BORDER
+ PanelBase.__init__(self)
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.SetupScrolling()
+ #thread to read data
+ self.reader = None
+ self.ext = None
+ self.id = 'GenSAS'
+ self.file_name = ''
+ self.time_text = None
+ self.orient_combo = None
+ self.omfreader = sas_gen.OMFReader()
+ self.sldreader = sas_gen.SLDReader()
+ self.pdbreader = sas_gen.PDBReader()
+ self.model = sas_gen.GenSAS()
+ self.param_dic = self.model.params
+ self.parameters = []
+ self.data = None
+ self.scale2d = None
+ self.is_avg = False
+ self.plot_frame = None
+ self.qmax_x = _QMAX_DEFAULT
+ self.npts_x = _NPTS_DEFAULT
+ self.sld_data = None
+ self.graph_num = 1
+ self.default_shape = 'rectangular'
+ # Object that receive status event
+ self.parent = parent
+ self._do_layout()
+ self._create_default_sld_data()
+ self._create_default_2d_data()
+ wx.CallAfter(self._set_sld_data_helper)
+
+ def _define_structure(self):
+ """
+ Define the main sizers building to build this application.
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_source = wx.StaticBox(self, -1, str("SLD Data File"))
+ self.box_parameters = wx.StaticBox(self, -1, str("Input Parameters"))
+ self.box_qrange = wx.StaticBox(self, -1, str("Q Range"))
+ self.boxsizer_source = wx.StaticBoxSizer(self.box_source,
+ wx.VERTICAL)
+ self.boxsizer_parameters = wx.StaticBoxSizer(self.box_parameters,
+ wx.VERTICAL)
+ self.boxsizer_qrange = wx.StaticBoxSizer(self.box_qrange,
+ wx.VERTICAL)
+ self.data_name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.param_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.shape_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.qrange_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.button_sizer1 = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer2 = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_data_name(self):
+ """
+ Fill the sizer containing data's name
+ """
+ data_name_txt = wx.StaticText(self, -1, 'Data: ')
+ self.data_name_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH * 4, -1))
+ data_hint = "Loaded data"
+ self.data_name_tcl.SetToolTipString(data_hint)
+ #control that triggers importing data
+ id = wx.NewId()
+ self.browse_button = wx.Button(self, id, "Load")
+ hint_on_browse = "Click to load data into this panel."
+ self.browse_button.SetToolTipString(hint_on_browse)
+ self.Bind(wx.EVT_BUTTON, self.on_load_data, id=id)
+ self.data_name_sizer.AddMany([(data_name_txt, 0, wx.LEFT, 15),
+ (self.data_name_tcl, 0, wx.LEFT, 10),
+ (self.browse_button, 0, wx.LEFT, 10)])
+ def _layout_param_size(self):
+ """
+ Fill the sizer containing slit size information
+ """
+ self.parameters = []
+ sizer = wx.GridBagSizer(3, 6)
+ model = self.model
+ details = self.model.details
+ params = self.model.params
+ ix = 0
+ iy = 0
+ param_title = wx.StaticText(self, -1, 'Parameter')
+ sizer.Add(param_title, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ value_title = wx.StaticText(self, -1, 'Value')
+ sizer.Add(value_title, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ unit_title = wx.StaticText(self, -1, 'Unit')
+ sizer.Add(unit_title, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ key_list = params.keys()
+ key_list.sort()
+ for param in key_list:
+ iy += 1
+ ix = 0
+ p_name = wx.StaticText(self, -1, param)
+ sizer.Add(p_name, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ## add parameter value
+ ix += 1
+ value = model.getParam(param)
+ ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH * 2, 20),
+ style=wx.TE_PROCESS_ENTER)
+ #ctl.SetToolTipString(\
+ # "Hit 'Enter' after typing to update the plot.")
+ ctl.SetValue(format_number(value, True))
+ sizer.Add(ctl, (iy, ix), (1, 1), wx.EXPAND)
+ ## add unit
+ ix += 1
+ unit = wx.StaticText(self, -1, details[param][0])
+ sizer.Add(unit, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.parameters.append([p_name, ctl, unit])
+
+ self.param_sizer.Add(sizer, 0, wx.LEFT, 10)
+
+ def _layout_hint(self):
+ """
+ Fill the sizer containing hint
+ """
+ hint_msg = "We support omf, sld or pdb data files only."
+ hint_msg += " "
+ if FONT_VARIANT < 1:
+ hint_msg += "Very "
+ hint_msg += "SLOW drawing -->"
+ hint_txt = wx.StaticText(self, -1, hint_msg)
+
+ id = wx.NewId()
+ self.draw_button = wx.Button(self, id, "Arrow Draw")
+ hint_on_draw = "Draw with arrows. Caution: it is a very slow drawing."
+ self.draw_button.SetToolTipString(hint_on_draw)
+ self.draw_button.Bind(wx.EVT_BUTTON, self.sld_draw, id=id)
+
+ self.draw_button.Enable(False)
+ self.hint_sizer.AddMany([(hint_txt, 0, wx.LEFT, 15),
+ (self.draw_button, 0, wx.LEFT, 7)])
+
+ def _layout_shape(self):
+ """
+ Fill the shape sizer
+ """
+ label_txt = wx.StaticText(self, -1, "Shape:")
+ self.shape_combo = self._fill_shape_combo()
+ self.shape_sizer.AddMany([(label_txt, 0, wx.LEFT, 15),
+ (self.shape_combo, 0, wx.LEFT, 5)])
+
+ def _fill_shape_combo(self):
+ """
+ Fill up the shape combo box
+ """
+ shape_combo = wx.ComboBox(self, -1, size=(150, -1),
+ style=wx.CB_READONLY)
+ shape_combo.Append('Rectangular')
+ shape_combo.Append('Ellipsoid')
+ shape_combo.Bind(wx.EVT_COMBOBOX, self._on_shape_select)
+ shape_combo.SetSelection(0)
+ return shape_combo
+
+ def _on_shape_select(self, event):
+ """
+ On selecting a shape
+ """
+ event.Skip()
+ label = event.GetEventObject().GetValue().lower()
+ self.default_shape = label
+ self.parent.set_omfpanel_default_shap(self.default_shape)
+ self.parent.set_omfpanel_npts()
+
+ def _fill_orient_combo(self):
+ """
+ Fill up the orientation combo box: used only for atomic structure
+ """
+ orient_combo = wx.ComboBox(self, -1, size=(150, -1),
+ style=wx.CB_READONLY)
+ orient_combo.Append('Fixed orientation')
+ orient_combo.Append('Debye full avg.')
+ #orient_combo.Append('Debye sph. sym.')
+
+ orient_combo.Bind(wx.EVT_COMBOBOX, self._on_orient_select)
+ orient_combo.SetSelection(0)
+ return orient_combo
+
+ def _on_orient_select(self, event):
+ """
+ On selecting a orientation
+ """
+ event.Skip()
+ cb = event.GetEventObject()
+ if cb.GetCurrentSelection() == 2:
+ self.is_avg = None
+ else:
+ is_avg = cb.GetCurrentSelection() == 1
+ self.is_avg = is_avg
+ self.model.set_is_avg(self.is_avg)
+ self.set_est_time()
+
+ def _layout_qrange(self):
+ """
+ Fill the sizer containing qrange
+ """
+ sizer = wx.GridBagSizer(2, 3)
+ ix = 0
+ iy = 0
+ #key_list.sort()
+ name = wx.StaticText(self, -1, 'No. of Qx (Qy) bins: ')
+ sizer.Add(name, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ## add parameter value
+ ix += 1
+ self.npt_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH * 1.5, 20),
+ style=wx.TE_PROCESS_ENTER)
+ self.npt_ctl.Bind(wx.EVT_TEXT, self._onparamEnter)
+ self.npt_ctl.SetValue(format_number(self.npts_x, True))
+ sizer.Add(self.npt_ctl, (iy, ix), (1, 1), wx.EXPAND)
+ ## add unit
+ ix += 1
+ unit = wx.StaticText(self, -1, '')
+ sizer.Add(unit, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ name = wx.StaticText(self, -1, 'Qx (Qy) Max: ')
+ sizer.Add(name, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ## add parameter value
+ ix += 1
+ self.qmax_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH * 1.5, 20),
+ style=wx.TE_PROCESS_ENTER)
+ self.qmax_ctl.Bind(wx.EVT_TEXT, self._onparamEnter)
+ self.qmax_ctl.SetValue(format_number(self.qmax_x, True))
+ sizer.Add(self.qmax_ctl, (iy, ix), (1, 1), wx.EXPAND)
+ ## add unit
+ ix += 1
+ unit = wx.StaticText(self, -1, '[1/A]')
+ sizer.Add(unit, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.qrange_sizer.Add(sizer, 0, wx.LEFT, 10)
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.est_time = '*Estimated Computation time :\n %s'
+ self.time_text = wx.StaticText(self, -1, self.est_time % str('2 sec'))
+ self.orient_combo = self._fill_orient_combo()
+ self.orient_combo.Show(False)
+
+ self.bt_compute = wx.Button(self, wx.NewId(), 'Compute')
+ self.bt_compute.Bind(wx.EVT_BUTTON, self.on_compute)
+ self.bt_compute.SetToolTipString("Compute 2D Scattering Pattern.")
+
+ self.bt_help = wx.Button(self, wx.NewId(), 'HELP')
+ self.bt_help.Bind(wx.EVT_BUTTON, self.on_help)
+ self.bt_help.SetToolTipString("Help on Scatter Calculator")
+
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_panel_close)
+ self.bt_close.SetToolTipString("Close this window")
+
+ self.button_sizer1.AddMany([(self.bt_compute, 0, wx.LEFT, 20),
+ (self.orient_combo , 0, wx.LEFT, 20)])
+ self.button_sizer2.AddMany([(self.time_text , 0, wx.LEFT, 20),
+ (self.bt_help, 0, wx.LEFT, 20),
+ (self.bt_close, 0, wx.LEFT, 20)])
+ self.button_sizer.AddMany([(self.button_sizer1 , 0, wx.BOTTOM|wx.LEFT, 10),
+ (self.button_sizer2 , 0, wx.LEFT, 10)])
+
+ def estimate_ctime(self):
+ """
+ Calculation time estimation
+ """
+ # magic equation: not very accurate
+ factor = 1
+ n_qbins = float(self.npt_ctl.GetValue())
+ n_qbins *= n_qbins
+ n_pixs = float(self.parent.get_npix())
+ if self.is_avg:
+ factor = 6
+ n_pixs *= (n_pixs / 200)
+ x_in = n_qbins * n_pixs / 100000
+ etime = factor + 0.085973 * x_in
+ return int(etime)
+
+ def set_est_time(self):
+ """
+ Set text for est. computation time
+ """
+ unit = 'sec'
+ if self.time_text != None:
+ self.time_text.SetForegroundColour('black')
+ etime = self.estimate_ctime()
+ if etime > 60:
+ etime /= 60
+ unit = 'min'
+ self.time_text.SetForegroundColour('red')
+ time_str = str(etime) + ' ' + unit
+ self.time_text.SetLabel(self.est_time % time_str)
+
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ self._define_structure()
+ self._layout_data_name()
+ self._layout_param_size()
+ self._layout_qrange()
+ self._layout_hint()
+ self._layout_shape()
+ self._layout_button()
+ self.boxsizer_source.AddMany([(self.data_name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.hint_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.shape_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.boxsizer_parameters.AddMany([(self.param_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5), ])
+ self.boxsizer_qrange.AddMany([(self.qrange_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5), ])
+ self.main_sizer.AddMany([(self.boxsizer_source, 0,
+ wx.EXPAND | wx.ALL, 10),
+ (self.boxsizer_parameters, 0,
+ wx.EXPAND | wx.ALL, 10),
+ (self.boxsizer_qrange, 0,
+ wx.EXPAND | wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def _create_default_sld_data(self):
+ """
+ Making default sld-data
+ """
+ sld_n_default = 6.97e-06
+ omfdata = sas_gen.OMFData()
+ omf2sld = sas_gen.OMF2SLD()
+ omf2sld.set_data(omfdata, self.default_shape)
+ self.sld_data = omf2sld.output
+ self.sld_data.is_data = False
+ self.sld_data.filename = "Default SLD Profile"
+ self.sld_data.set_sldn(sld_n_default)
+ self.data_name_tcl.SetValue(self.sld_data.filename)
+
+ def choose_data_file(self, location=None):
+ """
+ Choosing a dtata file
+ """
+ path = None
+ filename = ''
+ if location == None:
+ location = os.getcwd()
+
+ exts = "*" + self.omfreader.ext[0]
+ exts += ", *" + self.sldreader.ext[0]
+ exts += ", *" + self.pdbreader.ext[0]
+ all_type = "All GEN files (%s, %s) | %s" % (exts.upper(), exts.lower(),
+ exts.lower().replace(',', ';'))
+ wildcard = [all_type]
+ omf_type = self.omfreader.type
+ sld_type = self.sldreader.type
+ pdb_type = self.pdbreader.type
+
+ for type in sld_type:
+ wildcard.append(type)
+ for type in omf_type:
+ wildcard.append(type)
+ for type in pdb_type:
+ wildcard.append(type)
+ wildcard = '|'.join(wildcard)
+ dlg = wx.FileDialog(self, "Choose a file", location,
+ "", wildcard, wx.OPEN)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ filename = os.path.basename(path)
+ dlg.Destroy()
+ return path
+
+ def on_load_data(self, event):
+ """
+ Open a file dialog to allow the user to select a given file.
+ The user is only allow to load file with extension .omf, .txt, .sld.
+ Display the slit size corresponding to the loaded data.
+ """
+ location = self.parent.get_path()
+ path = self.choose_data_file(location=location)
+ if path is None:
+ return
+
+ self.shape_sizer.ShowItems(False)
+ self.default_shape = 'rectangular'
+ self.parent.set_omfpanel_default_shap(self.default_shape)
+
+ self.parent.set_file_location(os.path.dirname(path))
+ try:
+ #Load data
+ self.ext = os.path.splitext(path)[-1]
+ if self.ext in self.omfreader.ext:
+ loader = self.omfreader
+ elif self.ext in self.sldreader.ext:
+ loader = self.sldreader
+ elif self.ext in self.pdbreader.ext:
+ loader = self.pdbreader
+ else:
+ loader = None
+ if self.reader is not None and self.reader.isrunning():
+ self.reader.stop()
+ self.browse_button.Enable(False)
+ self.browse_button.SetLabel("Loading...")
+ if self.parent.parent is not None:
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status="Loading...",
+ type="progress"))
+ self.reader = GenReader(path=path, loader=loader,
+ completefn=self.complete_loading,
+ updatefn=self.load_update)
+ self.reader.queue()
+ #self.load_update()
+ except:
+ self.ext = None
+ if self.parent.parent is None:
+ return
+ msg = "Generic SAS Calculator: %s" % (sys.exc_value)
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type='stop'))
+ self.SetFocus()
+ return
+
+ def load_update(self):
+ """
+ print update on the status bar
+ """
+ if self.parent.parent is None:
+ return
+ if self.reader.isrunning():
+ type = "progress"
+ else:
+ type = "stop"
+ wx.PostEvent(self.parent.parent, StatusEvent(status="",
+ type=type))
+
+ def complete_loading(self, data=None, filename=''):
+ """
+ Complete the loading
+ """
+ #compute the slit size
+ self.browse_button.Enable(True)
+ self.browse_button.SetLabel('Load')
+ try:
+ is_pdbdata = False
+ filename = data.filename
+ self.data_name_tcl.SetValue(str(filename))
+ self.file_name = filename.split('.')[0]
+ self.orient_combo.SetSelection(0)
+ self.is_avg = False
+ if self.ext in self.omfreader.ext:
+ gen = sas_gen.OMF2SLD()
+ gen.set_data(data)
+ #omf_data = data
+ self.sld_data = gen.get_magsld()
+ elif self.ext in self.sldreader.ext:
+ self.sld_data = data
+ elif self.ext in self.pdbreader.ext:
+ self.sld_data = data
+ is_pdbdata = True
+ #omf_data = None
+ else:
+ raise
+ self.orient_combo.Show(is_pdbdata)
+ #self.button_sizer.Layout()
+ self.FitInside()
+ self._set_sld_data_helper(True)
+ except:
+ if self.parent.parent is None:
+ raise
+ msg = "Loading Error: This file format is not supported "
+ msg += "for GenSAS."
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type='stop', info='Error'))
+ self.SetFocus()
+ return
+ if self.parent.parent is None:
+ return
+
+ msg = "Load Complete"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, type='stop'))
+ self.SetFocus()
+
+ def _set_sld_data_helper(self, is_draw=False):
+ """
+ Set sld data helper
+ """
+ #is_avg = self.orient_combo.GetCurrentSelection() == 1
+ self.model.set_is_avg(self.is_avg)
+ self.model.set_sld_data(self.sld_data)
+
+ self.draw_button.Enable(self.sld_data != None)
+ wx.CallAfter(self.parent.set_sld_data, self.sld_data)
+ self._update_model_params()
+ if is_draw:
+ wx.CallAfter(self.sld_draw, None, False)
+
+ def _update_model_params(self):
+ """
+ Update the model parameter values
+ """
+ for list in self.parameters:
+ param_name = list[0].GetLabelText()
+ val = str(self.model.params[param_name])
+ list[1].SetValue(val)
+
+ def set_volume_ctl_val(self, val):
+ """
+ Set volume txtctrl value
+ """
+ for list in self.parameters:
+ param_name = list[0].GetLabelText()
+ if param_name.lower() == 'total_volume':
+ list[1].SetValue(val)
+ list[1].Refresh()
+ break
+
+ def _onparamEnter(self, event):
+ """
+ On param enter
+ """
+ try:
+ item = event.GetEventObject()
+ self._check_value()
+ item.Refresh()
+ except:
+ pass
+
+ def sld_draw(self, event=None, has_arrow=True):
+ """
+ Draw 3D sld profile
+ """
+ flag = self.parent.check_omfpanel_inputs()
+ if not flag:
+ infor = 'Error'
+ msg = 'Error: Wrong inputs in the SLD info panel.'
+ # inform msg to wx
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info=infor))
+ self.SetFocus()
+ return
+
+ self.sld_data = self.parent.get_sld_from_omf()
+ output = self.sld_data
+ #frame_size = wx.Size(470, 470)
+ self.plot_frame = PlotFrame(self, -1, 'testView')
+ frame = self.plot_frame
+ frame.Show(False)
+ add_icon(self.parent, frame)
+ panel = frame.plotpanel
+ try:
+ # mpl >= 1.0.0
+ ax = panel.figure.gca(projection='3d')
+ except:
+ # mpl < 1.0.0
+ try:
+ from mpl_toolkits.mplot3d import Axes3D
+ ax = Axes3D(panel.figure)
+ except:
+ logging.error("PlotPanel could not import Axes3D")
+ raise
+ panel.dimension = 3
+ graph_title = self._sld_plot_helper(ax, output, has_arrow)
+ # Use y, z axes (in mpl 3d) as z, y axes
+ # that consistent with our SAS detector coords.
+ ax.set_xlabel('x ($\A%s$)' % output.pos_unit)
+ ax.set_ylabel('z ($\A%s$)' % output.pos_unit)
+ ax.set_zlabel('y ($\A%s$)' % output.pos_unit)
+ panel.subplot.figure.subplots_adjust(left=0.05, right=0.95,
+ bottom=0.05, top=0.96)
+ if output.pix_type == 'atom':
+ ax.legend(loc='upper left', prop={'size':10})
+ num_graph = str(self.graph_num)
+ frame.SetTitle('Graph %s: %s' % (num_graph, graph_title))
+ wx.CallAfter(frame.Show, True)
+ self.graph_num += 1
+
+ def _sld_plot_helper(self, ax, output, has_arrow=False):
+ """
+ Actual plot definition happens here
+ :Param ax: axis3d
+ :Param output: sld_data [MagSLD]
+ :Param has_arrow: whether or not draws M vector [bool]
+ """
+ # Set the locals
+ color_dic = {'H':'blue', 'D':'purple', 'N': 'orange',
+ 'O':'red', 'C':'green', 'P':'cyan', 'Other':'k'}
+ marker = ','
+ m_size = 2
+ graph_title = self.file_name
+ graph_title += " 3D SLD Profile "
+ pos_x = output.pos_x
+ pos_y = output.pos_y
+ pos_z = output.pos_z
+ sld_mx = output.sld_mx
+ sld_my = output.sld_my
+ sld_mz = output.sld_mz
+ pix_symbol = output.pix_symbol
+ if output.pix_type == 'atom':
+ marker = 'o'
+ m_size = 3.5
+ sld_tot = (numpy.fabs(sld_mx) + numpy.fabs(sld_my) + \
+ numpy.fabs(sld_mz) + numpy.fabs(output.sld_n))
+ is_nonzero = sld_tot > 0.0
+ is_zero = sld_tot == 0.0
+ # I. Plot null points
+ if is_zero.any():
+ ax.plot(pos_x[is_zero], pos_z[is_zero], pos_y[is_zero], marker,
+ c="y", alpha=0.5, markeredgecolor='y', markersize=m_size)
+ pos_x = pos_x[is_nonzero]
+ pos_y = pos_y[is_nonzero]
+ pos_z = pos_z[is_nonzero]
+ sld_mx = sld_mx[is_nonzero]
+ sld_my = sld_my[is_nonzero]
+ sld_mz = sld_mz[is_nonzero]
+ pix_symbol = output.pix_symbol[is_nonzero]
+ # II. Plot selective points in color
+ other_color = numpy.ones(len(pix_symbol), dtype='bool')
+ for key in color_dic.keys():
+ chosen_color = pix_symbol == key
+ if numpy.any(chosen_color):
+ other_color = other_color & (chosen_color != True)
+ color = color_dic[key]
+ ax.plot(pos_x[chosen_color], pos_z[chosen_color],
+ pos_y[chosen_color], marker, c=color, alpha=0.5,
+ markeredgecolor=color, markersize=m_size, label=key)
+ # III. Plot All others
+ if numpy.any(other_color):
+ a_name = ''
+ if output.pix_type == 'atom':
+ # Get atom names not in the list
+ a_names = [symb for symb in pix_symbol \
+ if symb not in color_dic.keys()]
+ a_name = a_names[0]
+ for name in a_names:
+ new_name = ", " + name
+ if a_name.count(name) == 0:
+ a_name += new_name
+ # plot in black
+ ax.plot(pos_x[other_color], pos_z[other_color], pos_y[other_color],
+ marker, c="k", alpha=0.5, markeredgecolor="k",
+ markersize=m_size, label=a_name)
+ # IV. Draws atomic bond with grey lines if any
+ if output.has_conect:
+ for ind in range(len(output.line_x)):
+ ax.plot(output.line_x[ind], output.line_z[ind],
+ output.line_y[ind], '-', lw=0.6, c="grey", alpha=0.3)
+ # V. Draws magnetic vectors
+ if has_arrow and len(pos_x) > 0:
+ graph_title += " - Magnetic Vector as Arrow -"
+ panel = self.plot_frame.plotpanel
+ def _draw_arrow(input=None, update=None):
+ """
+ draw magnetic vectors w/arrow
+ """
+ max_mx = max(numpy.fabs(sld_mx))
+ max_my = max(numpy.fabs(sld_my))
+ max_mz = max(numpy.fabs(sld_mz))
+ max_m = max(max_mx, max_my, max_mz)
+ try:
+ max_step = max(output.xstepsize, output.ystepsize,
+ output.zstepsize)
+ except:
+ max_step = 0
+ if max_step <= 0:
+ max_step = 5
+ try:
+ if max_m != 0:
+ unit_x2 = sld_mx / max_m
+ unit_y2 = sld_my / max_m
+ unit_z2 = sld_mz / max_m
+ # 0.8 is for avoiding the color becomes white=(1,1,1))
+ color_x = numpy.fabs(unit_x2 * 0.8)
+ color_y = numpy.fabs(unit_y2 * 0.8)
+ color_z = numpy.fabs(unit_z2 * 0.8)
+ x2 = pos_x + unit_x2 * max_step
+ y2 = pos_y + unit_y2 * max_step
+ z2 = pos_z + unit_z2 * max_step
+ x_arrow = numpy.column_stack((pos_x, x2))
+ y_arrow = numpy.column_stack((pos_y, y2))
+ z_arrow = numpy.column_stack((pos_z, z2))
+ colors = numpy.column_stack((color_x, color_y, color_z))
+ arrows = Arrow3D(panel, x_arrow, z_arrow, y_arrow,
+ colors, mutation_scale=10, lw=1,
+ arrowstyle="->", alpha=0.5)
+ ax.add_artist(arrows)
+ except:
+ pass
+ msg = "Arrow Drawing completed.\n"
+ status_type = 'stop'
+ self._status_info(msg, status_type)
+ msg = "Arrow Drawing is in progress..."
+ status_type = 'progress'
+ self._status_info(msg, status_type)
+ draw_out = CalcGen(input=ax,
+ completefn=_draw_arrow, updatefn=self._update)
+ draw_out.queue()
+ return graph_title
+
+ def set_input_params(self):
+ """
+ Set model parameters
+ """
+ for list in self.parameters:
+ param_name = list[0].GetLabelText()
+ param_value = float(list[1].GetValue())
+ self.model.setParam(param_name, param_value)
+
+ def on_compute(self, event):
+ """
+ Compute I(qx, qy)
+ """
+ flag = self.parent.check_omfpanel_inputs()
+ if not flag and self.parent.parent != None:
+ infor = 'Error'
+ msg = 'Error: Wrong inputs in the SLD info panel.'
+ # inform msg to wx
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info=infor))
+ self.SetFocus()
+ return
+ self.sld_data = self.parent.get_sld_from_omf()
+ if self.sld_data == None:
+ if self.parent.parent != None:
+ infor = 'Error'
+ msg = 'Error: No data has been selected.'
+ # inform msg to wx
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info=infor))
+ self.SetFocus()
+ return
+ flag = self._check_value()
+ if not flag:
+ _set_error(self, None, True)
+ return
+ try:
+ self.model.set_sld_data(self.sld_data)
+ self.set_input_params()
+ if self.is_avg or self.is_avg == None:
+ self._create_default_1d_data()
+ i_out = numpy.zeros(len(self.data.y))
+ inputs = [self.data.x, [], i_out]
+ else:
+ self._create_default_2d_data()
+ i_out = numpy.zeros(len(self.data.data))
+ inputs = [self.data.qx_data, self.data.qy_data, i_out]
+
+ msg = "Computation is in progress..."
+ status_type = 'progress'
+ self._status_info(msg, status_type)
+ cal_out = CalcGen(input=inputs,
+ completefn=self.complete,
+ updatefn=self._update)
+ cal_out.queue()
+
+ except:
+ msg = "%s." % sys.exc_value
+ status_type = 'stop'
+ self._status_info(msg, status_type)
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info='Error'))
+ self.SetFocus()
+
+ def on_help(self, event):
+ """
+ Bring up the General scattering Calculator Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "sas_calculator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "General Scattering Calculator Help")
+
+ def _check_value(self):
+ """
+ Check input values if float
+ """
+ flag = True
+ self.npt_ctl.SetBackgroundColour("white")
+ self.qmax_ctl.SetBackgroundColour("white")
+ try:
+ npt_val = float(self.npt_ctl.GetValue())
+ if npt_val < 2 or npt_val > 1000:
+ raise
+ self.npt_ctl.SetValue(str(int(npt_val)))
+ self.set_est_time()
+ except:
+ flag = _set_error(self, self.npt_ctl)
+ try:
+ qmax_val = float(self.qmax_ctl.GetValue())
+ if qmax_val <= 0 or qmax_val > 1000:
+ raise
+ except:
+ flag = _set_error(self, self.qmax_ctl)
+ for list in self.parameters:
+ list[1].SetBackgroundColour("white")
+ param_name = list[0].GetLabelText()
+ try:
+ param_val = float(list[1].GetValue())
+ if param_name.count('frac') > 0:
+ if param_val < 0 or param_val > 1:
+ raise
+ except:
+ flag = _set_error(self, list[1])
+ return flag
+
+ def _status_info(self, msg='', type="update"):
+ """
+ Status msg
+ """
+ if type == "stop":
+ label = "Compute"
+ able = True
+ else:
+ label = "Wait..."
+ able = False
+ self.bt_compute.Enable(able)
+ self.bt_compute.SetLabel(label)
+ self.bt_compute.SetToolTipString(label)
+ if self.parent.parent != None:
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type=type))
+
+ def _update(self, time=None):
+ """
+ Update the progress bar
+ """
+ if self.parent.parent == None:
+ return
+ type = "progress"
+ msg = "Please wait. Computing... (Note: Window may look frozen.)"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg,
+ type=type))
+
+ def complete(self, input, update=None):
+ """
+ Gen compute complete function
+ :Param input: input list [qx_data, qy_data, i_out]
+ """
+ out = numpy.empty(0)
+ #s = time.time()
+ for ind in range(len(input[0])):
+ if self.is_avg:
+ if ind % 1 == 0 and update != None:
+ update()
+ time.sleep(0.1)
+ inputi = [input[0][ind:ind + 1], [], input[2][ind:ind + 1]]
+ outi = self.model.run(inputi)
+ out = numpy.append(out, outi)
+ else:
+ if ind % 50 == 0 and update != None:
+ update()
+ time.sleep(0.001)
+ inputi = [input[0][ind:ind + 1], input[1][ind:ind + 1],
+ input[2][ind:ind + 1]]
+ outi = self.model.runXY(inputi)
+ out = numpy.append(out, outi)
+ #print time.time() - s
+ if self.is_avg or self.is_avg == None:
+ self._draw1D(out)
+ else:
+ #out = self.model.runXY(input)
+ self._draw2D(out)
+
+ msg = "Gen computation completed.\n"
+ status_type = 'stop'
+ self._status_info(msg, status_type)
+
+ def _create_default_2d_data(self):
+ """
+ Create 2D data by default
+ Only when the page is on theory mode.
+ :warning: This data is never plotted.
+ """
+ self.qmax_x = float(self.qmax_ctl.GetValue())
+ self.npts_x = int(float(self.npt_ctl.GetValue()))
+ self.data = Data2D()
+ qmax = self.qmax_x #/ numpy.sqrt(2)
+ self.data.xaxis('\\rm{Q_{x}}', '\AA^{-1}')
+ self.data.yaxis('\\rm{Q_{y}}', '\AA^{-1}')
+ self.data.is_data = False
+ self.data.id = str(self.uid) + " GenData"
+ self.data.group_id = str(self.uid) + " Model2D"
+ ## Default values
+ self.data.detector.append(Detector())
+ index = len(self.data.detector) - 1
+ self.data.detector[index].distance = 8000 # mm
+ self.data.source.wavelength = 6 # A
+ self.data.detector[index].pixel_size.x = 5 # mm
+ self.data.detector[index].pixel_size.y = 5 # mm
+ self.data.detector[index].beam_center.x = qmax
+ self.data.detector[index].beam_center.y = qmax
+ xmax = qmax
+ xmin = -qmax
+ ymax = qmax
+ ymin = -qmax
+ qstep = self.npts_x
+
+ x = numpy.linspace(start=xmin, stop=xmax, num=qstep, endpoint=True)
+ y = numpy.linspace(start=ymin, stop=ymax, num=qstep, endpoint=True)
+ ## use data info instead
+ new_x = numpy.tile(x, (len(y), 1))
+ new_y = numpy.tile(y, (len(x), 1))
+ new_y = new_y.swapaxes(0, 1)
+ # all data reuire now in 1d array
+ qx_data = new_x.flatten()
+ qy_data = new_y.flatten()
+ q_data = numpy.sqrt(qx_data * qx_data + qy_data * qy_data)
+ # set all True (standing for unmasked) as default
+ mask = numpy.ones(len(qx_data), dtype=bool)
+ # store x and y bin centers in q space
+ x_bins = x
+ y_bins = y
+ self.data.source = Source()
+ self.data.data = numpy.ones(len(mask))
+ self.data.err_data = numpy.ones(len(mask))
+ self.data.qx_data = qx_data
+ self.data.qy_data = qy_data
+ self.data.q_data = q_data
+ self.data.mask = mask
+ self.data.x_bins = x_bins
+ self.data.y_bins = y_bins
+ # max and min taking account of the bin sizes
+ self.data.xmin = xmin
+ self.data.xmax = xmax
+ self.data.ymin = ymin
+ self.data.ymax = ymax
+
+ def _create_default_1d_data(self):
+ """
+ Create 2D data by default
+ Only when the page is on theory mode.
+ :warning: This data is never plotted.
+ residuals.x = data_copy.x[index]
+ residuals.dy = numpy.ones(len(residuals.y))
+ residuals.dx = None
+ residuals.dxl = None
+ residuals.dxw = None
+ """
+ self.qmax_x = float(self.qmax_ctl.GetValue())
+ self.npts_x = int(float(self.npt_ctl.GetValue()))
+ qmax = self.qmax_x #/ numpy.sqrt(2)
+ ## Default values
+ xmax = qmax
+ xmin = qmax * _Q1D_MIN
+ qstep = self.npts_x
+ x = numpy.linspace(start=xmin, stop=xmax, num=qstep, endpoint=True)
+ # store x and y bin centers in q space
+ #self.data.source = Source()
+ y = numpy.ones(len(x))
+ dy = numpy.zeros(len(x))
+ dx = numpy.zeros(len(x))
+ self.data = Data1D(x=x, y=y)
+ self.data.dx = dx
+ self.data.dy = dy
+
+ def _draw1D(self, y_out):
+ """
+ Complete get the result of modelthread and create model 2D
+ that can be plot.
+ """
+ page_id = self.id
+ data = self.data
+
+ model = self.model
+ state = None
+
+ new_plot = Data1D(x=data.x, y=y_out)
+ new_plot.dx = data.dx
+ new_plot.dy = data.dy
+ new_plot.xaxis('\\rm{Q_{x}}', '\AA^{-1}')
+ new_plot.yaxis('\\rm{Intensity}', 'cm^{-1}')
+ new_plot.is_data = False
+ new_plot.id = str(self.uid) + " GenData1D"
+ new_plot.group_id = str(self.uid) + " Model1D"
+ new_plot.name = model.name + '1d'
+ new_plot.title = "Generic model1D "
+ new_plot.id = str(page_id) + ': ' + self.file_name \
+ + ' #%s' % str(self.graph_num) + "_1D"
+ new_plot.group_id = str(page_id) + " Model1D" + \
+ ' #%s' % str(self.graph_num) + "_1D"
+ new_plot.is_data = False
+
+ title = new_plot.title
+ _yaxis, _yunit = new_plot.get_yaxis()
+ _xaxis, _xunit = new_plot.get_xaxis()
+ new_plot.xaxis(str(_xaxis), str(_xunit))
+ new_plot.yaxis(str(_yaxis), str(_yunit))
+
+ if new_plot.is_data:
+ data_name = str(new_plot.name)
+ else:
+ data_name = str(model.__class__.__name__) + '1d'
+
+ if len(title) > 1:
+ new_plot.title = "Gen Theory for %s " % model.name + data_name
+ new_plot.name = new_plot.id
+ new_plot.label = new_plot.id
+ #theory_data = deepcopy(new_plot)
+ if self.parent.parent != None:
+ self.parent.parent.update_theory(data_id=new_plot.id,
+ theory=new_plot,
+ state=state)
+ title = new_plot.title
+ num_graph = str(self.graph_num)
+ wx.CallAfter(self.parent.draw_graph, new_plot,
+ title="GEN Graph %s: " % num_graph + new_plot.id)
+ self.graph_num += 1
+
+ def _draw2D(self, image):
+ """
+ Complete get the result of modelthread and create model 2D
+ that can be plot.
+ """
+ page_id = self.id
+ data = self.data
+
+ model = self.model
+ qmin = 0.0
+ state = None
+
+ numpy.nan_to_num(image)
+ new_plot = Data2D(image=image, err_image=data.err_data)
+ new_plot.name = model.name + '2d'
+ new_plot.title = "Generic model 2D "
+ new_plot.id = str(page_id) + ': ' + self.file_name \
+ + ' #%s' % str(self.graph_num) + "_2D"
+ new_plot.group_id = str(page_id) + " Model2D" \
+ + ' #%s' % str(self.graph_num) + "_2D"
+ new_plot.detector = data.detector
+ new_plot.source = data.source
+ new_plot.is_data = False
+ new_plot.qx_data = data.qx_data
+ new_plot.qy_data = data.qy_data
+ new_plot.q_data = data.q_data
+ new_plot.mask = data.mask
+ ## plot boundaries
+ new_plot.ymin = data.ymin
+ new_plot.ymax = data.ymax
+ new_plot.xmin = data.xmin
+ new_plot.xmax = data.xmax
+ title = data.title
+ _yaxis, _yunit = data.get_yaxis()
+ _xaxis, _xunit = data.get_xaxis()
+ new_plot.xaxis(str(_xaxis), str(_xunit))
+ new_plot.yaxis(str(_yaxis), str(_yunit))
+
+ new_plot.is_data = False
+ if data.is_data:
+ data_name = str(data.name)
+ else:
+ data_name = str(model.__class__.__name__) + '2d'
+
+ if len(title) > 1:
+ new_plot.title = "Gen Theory for %s " % model.name + data_name
+ new_plot.name = new_plot.id
+ new_plot.label = new_plot.id
+ #theory_data = deepcopy(new_plot)
+ if self.parent.parent != None:
+ self.parent.parent.update_theory(data_id=data.id,
+ theory=new_plot,
+ state=state)
+ title = new_plot.title
+ num_graph = str(self.graph_num)
+ wx.CallAfter(self.parent.draw_graph, new_plot,
+ title="GEN Graph %s: " % num_graph + new_plot.id)
+ self.graph_num += 1
+
+ def set_scale2d(self, scale):
+ """
+ Set SLD plot scale
+ """
+ self.scale2d = None
+
+ def on_panel_close(self, event):
+ """
+ close the window containing this panel
+ """
+ self.parent.Close()
+
+class OmfPanel(ScrolledPanel, PanelBase):
+ """
+ Provides the sas gen calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "SLD Pixel Info"
+ ## Name to appear on the window title bar
+ window_caption = "SLD Pixel Info "
+
+ def __init__(self, parent, *args, **kwds):
+ ScrolledPanel.__init__(self, parent, style=wx.RAISED_BORDER,
+ *args, **kwds)
+ PanelBase.__init__(self)
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.SetupScrolling()
+ # Object that receive status event
+ self.parent = parent
+ self.sld_data = sas_gen.MagSLD([0], [0], [0])
+ self.sld_ctl = None
+ self.default_shape = 'rectangular'
+ self._do_layout()
+
+ def set_slddata(self, slddata):
+ """
+ Set sld data related items
+ """
+ self.sld_data = slddata
+ self._set_slddata_ctr_val(slddata)
+ # Make sure that self._set_slddata_ctr_val() is finished
+ wx.CallAfter(self._set_omfdata_ctr, slddata)
+
+ def get_sld_val(self):
+ """
+ Set sld_n of slddata on sld input
+ """
+ sld_sets = {}
+ if not self.sld_data.is_data:
+ self._get_other_val()
+ for list in self.slds:
+ if list[1].IsEnabled():
+ list[1].SetBackgroundColour("white")
+ list[1].Refresh()
+ try:
+ val = float(list[1].GetValue())
+ sld_sets[list[0]] = val
+ except:
+ flag = _set_error(self, list[1])
+ if not flag:
+ return self.sld_data
+ else:
+ sld_sets[list[0]] = None
+ for key in sld_sets.keys():
+ key_low = key.lower()
+ if key_low.count('mx') > 0:
+ if sld_sets[key] == None:
+ sld_sets[key] = self.sld_data.sld_mx
+ mx = sld_sets[key]
+ elif key_low.count('my') > 0:
+ if sld_sets[key] == None:
+ sld_sets[key] = self.sld_data.sld_my
+ my = sld_sets[key]
+ elif key_low.count('mz') > 0:
+ if sld_sets[key] == None:
+ sld_sets[key] = self.sld_data.sld_mz
+ mz = sld_sets[key]
+ else:
+ if sld_sets[key] != None:
+ self.sld_data.set_sldn(sld_sets[key])
+ self.sld_data.set_sldms(mx, my, mz)
+ self._set_slddata_ctr_val(self.sld_data)
+
+ return self.sld_data
+
+ def get_pix_volumes(self):
+ """
+ Get the pixel volume
+ """
+ vol = self.sld_data.vol_pix
+
+ return vol
+
+ def _get_other_val(self):
+ """
+ """
+ omfdata = sas_gen.OMFData()
+ sets = {}
+ try:
+ for lst in self.stepsize:
+ if lst[1].IsEnabled():
+ val = float(lst[1].GetValue())
+ sets[lst[0]] = val
+ else:
+ sets[lst[0]] = None
+ return
+ for lst in self.nodes:
+ if lst[1].IsEnabled():
+ val = float(lst[1].GetValue())
+ sets[lst[0]] = val
+ else:
+ sets[lst[0]] = None
+ return
+
+ for key in sets.keys():
+ setattr(omfdata, key, sets[key])
+
+ omf2sld = sas_gen.OMF2SLD()
+ omf2sld.set_data(omfdata, self.default_shape)
+ self.sld_data = omf2sld.output
+ self.sld_data.is_data = False
+ self.sld_data.filename = "Default SLD Profile"
+ except:
+ msg = "OMF Panel: %s" % sys.exc_value
+ infor = 'Error'
+ #logging.error(msg)
+ if self.parent.parent != None:
+ # inform msg to wx
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info=infor))
+ self.SetFocus()
+
+ def _set_slddata_ctr_val(self, slddata):
+ """
+ Set slddata crl
+ """
+ try:
+ val = str(len(slddata.sld_n))
+ except:
+ val = 'Unknown'
+ self.npix_ctl.SetValue(val)
+
+ def _set_omfdata_ctr(self, omfdata):
+ """
+ Set the textctr box values
+ """
+
+ if omfdata == None:
+ self._set_none_text()
+ return
+ nodes_list = self._get_nodes_key_list(omfdata)
+ step_list = self._get_step_key_list(omfdata)
+ for ctr_list in self.nodes:
+ for key in nodes_list.keys():
+ if ctr_list[0] == key:
+ ctr_list[1].SetValue(format_number(nodes_list[key], True))
+ ctr_list[1].Enable(not omfdata.is_data)
+ break
+ for ctr_list in self.stepsize:
+ for key in step_list.keys():
+ if ctr_list[0] == key:
+ ctr_list[1].SetValue(format_number(step_list[key], True))
+ ctr_list[1].Enable(not omfdata.is_data)
+ break
+
+ def _set_none_text(self):
+ """
+ Set Unknown in textctrls
+ """
+ val = 'Unknown'
+ for ctr_list in self.nodes:
+ ctr_list[1].SetValue(val)
+ for ctr_list in self.stepsize:
+ ctr_list[1].SetValue(val)
+
+ def _define_structure(self):
+ """
+ Define the main sizers building to build this application.
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+
+ self.npixels_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.box_sld = wx.StaticBox(self, -1,
+ str("Mean SLD"))
+ self.box_node = wx.StaticBox(self, -1, str("Nodes"))
+ self.boxsizer_sld = wx.StaticBoxSizer(self.box_sld, wx.VERTICAL)
+ self.box_stepsize = wx.StaticBox(self, -1, str("Step Size"))
+ self.boxsizer_node = wx.StaticBoxSizer(self.box_node, wx.VERTICAL)
+ self.boxsizer_stepsize = wx.StaticBoxSizer(self.box_stepsize,
+ wx.VERTICAL)
+ self.sld_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.node_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.step_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_npix(self):
+ """
+ Build No of pixels sizer
+ """
+ num_pix_text = wx.StaticText(self, -1, "No. of Pixels: ")
+ self.npix_ctl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ self._set_slddata_ctr_val(self.sld_data)
+ self._set_omfdata_ctr(self.sld_data)
+ self.npixels_sizer.AddMany([(num_pix_text, 0,
+ wx.EXPAND | wx.LEFT | wx.TOP, 5),
+ (self.npix_ctl, 0,
+ wx.EXPAND | wx.TOP, 5)])
+
+ def _layout_slds(self):
+ """
+ Build nuclear sld sizer
+ """
+ self.slds = []
+ omfdata = self.sld_data
+ if omfdata == None:
+ raise
+ sld_key_list = self._get_slds_key_list(omfdata)
+ # Dic is not sorted
+ key_list = [key for key in sld_key_list.keys()]
+ # Sort here
+ key_list.sort()
+ is_data = self.sld_data.is_data
+ sizer = wx.GridBagSizer(2, 3)
+ ix = 0
+ iy = -1
+ for key in key_list:
+ value = sld_key_list[key]
+ iy += 1
+ ix = 0
+ name = wx.StaticText(self, -1, key)
+ sizer.Add(name, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ## add parameter value
+ ix += 1
+ ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ctl.SetValue(format_number(value, True))
+ ctl.Enable(not is_data)
+ sizer.Add(ctl, (iy, ix), (1, 1), wx.EXPAND)
+ ## add unit
+ ix += 1
+ s_unit = '[' + omfdata.sld_unit + ']'
+ unit = wx.StaticText(self, -1, s_unit)
+ sizer.Add(unit, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.slds.append([key, ctl, unit])
+ self.sld_sizer.Add(sizer, 0, wx.LEFT, 10)
+
+ def _layout_nodes(self):
+ """
+ Fill the sizer containing data's name
+ """
+ self.nodes = []
+ omfdata = self.sld_data
+ if omfdata == None:
+ raise
+ key_list = self._get_nodes_key_list(omfdata)
+ is_data = self.sld_data.is_data
+ sizer = wx.GridBagSizer(2, 3)
+ ix = 0
+ iy = -1
+ for key, value in key_list.iteritems():
+ iy += 1
+ ix = 0
+ name = wx.StaticText(self, -1, key)
+ sizer.Add(name, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ## add parameter value
+ ix += 1
+ ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ctl.Bind(wx.EVT_TEXT, self._onparamEnter)
+ ctl.SetValue(format_number(value, True))
+ ctl.Enable(not is_data)
+ sizer.Add(ctl, (iy, ix), (1, 1), wx.EXPAND)
+ ## add unit
+ ix += 1
+ unit = wx.StaticText(self, -1, '')
+ sizer.Add(unit, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.nodes.append([key, ctl, unit])
+ self.node_sizer.Add(sizer, 0, wx.LEFT, 10)
+
+ def _layout_stepsize(self):
+ """
+ Fill the sizer containing slit size information
+ """
+ self.stepsize = []
+ omfdata = self.sld_data
+ if omfdata == None:
+ raise
+ key_list = self._get_step_key_list(omfdata)
+ is_data = self.sld_data.is_data
+ sizer = wx.GridBagSizer(2, 3)
+ ix = 0
+ iy = -1
+ #key_list.sort()
+ for key, value in key_list.iteritems():
+ iy += 1
+ ix = 0
+ name = wx.StaticText(self, -1, key)
+ sizer.Add(name, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ## add parameter value
+ ix += 1
+ ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ctl.Bind(wx.EVT_TEXT, self._onstepsize)
+ ctl.SetValue(format_number(value, True))
+ ctl.Enable(not is_data)
+ sizer.Add(ctl, (iy, ix), (1, 1), wx.EXPAND)
+ ## add unit
+ ix += 1
+ p_unit = '[' + omfdata.pos_unit + ']'
+ unit = wx.StaticText(self, -1, p_unit)
+ sizer.Add(unit, (iy, ix), (1, 1), \
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.stepsize.append([key, ctl, unit])
+ self.step_sizer.Add(sizer, 0, wx.LEFT, 10)
+
+ def _layout_hint(self):
+ """
+ Fill the sizer containing hint
+ """
+ hint_msg = "Load an omf or 3d sld profile data file."
+ self.hint_txt = wx.StaticText(self, -1, hint_msg)
+ self.hint_sizer.AddMany([(self.hint_txt, 0, wx.LEFT, 15)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_draw = wx.Button(self, wx.NewId(), 'Draw Points')
+ self.bt_draw.Bind(wx.EVT_BUTTON, self.on_sld_draw)
+ self.bt_draw.SetToolTipString("Draw a scatter plot for sld profile.")
+ self.bt_save = wx.Button(self, wx.NewId(), 'Save SLD Data')
+ self.bt_save.Bind(wx.EVT_BUTTON, self.on_save)
+ self.bt_save.Enable(False)
+ self.bt_save.SetToolTipString("Save SLD data.")
+ self.button_sizer.AddMany([(self.bt_draw, 0, wx.LEFT, 10),
+ (self.bt_save, 0, wx.LEFT, 10)])
+
+ def _do_layout(self):
+ """
+ Draw omf panel content, used to define sld s.
+
+ """
+ self._define_structure()
+ self._layout_nodes()
+ self._layout_stepsize()
+ self._layout_npix()
+ self._layout_slds()
+ #self._layout_hint()
+ self._layout_button()
+ self.boxsizer_node.AddMany([(self.node_sizer, 0,
+ wx.EXPAND | wx.TOP, 5),
+ (self.hint_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.boxsizer_stepsize.AddMany([(self.step_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5), ])
+ self.boxsizer_sld.AddMany([(self.sld_sizer, 0,
+ wx.EXPAND | wx.BOTTOM, 5), ])
+ self.main_sizer.AddMany([(self.npixels_sizer, 0, wx.EXPAND | wx.ALL, 10),
+ (self.boxsizer_sld, 0, wx.EXPAND | wx.ALL, 10),
+ (self.boxsizer_node, 0, wx.EXPAND | wx.ALL, 10),
+ (self.boxsizer_stepsize, 0, wx.EXPAND | wx.ALL, 10),
+ (self.button_sizer, 0, wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def _get_nodes_key_list(self, data):
+ """
+ Return nodes key list
+
+ :Param data: OMFData
+ """
+ key_list = {'xnodes' : data.xnodes,
+ 'ynodes' : data.ynodes,
+ 'znodes' : data.znodes}
+ return key_list
+
+ def _get_slds_key_list(self, data):
+ """
+ Return nodes key list
+
+ :Param data: OMFData
+ """
+ key_list = {'Nucl.' : data.sld_n,
+ 'Mx' : data.sld_mx,
+ 'My' : data.sld_my,
+ 'Mz' : data.sld_mz}
+ return key_list
+
+ def _get_step_key_list(self, data):
+ """
+ Return step key list
+
+ :Param data: OMFData
+ """
+ key_list = {'xstepsize' : data.xstepsize,
+ 'ystepsize' : data.ystepsize,
+ 'zstepsize' : data.zstepsize}
+ return key_list
+
+ def set_sld_ctr(self, sld_data):
+ """
+ Set sld textctrls
+ """
+ if sld_data == None:
+ for ctr_list in self.slds:
+ ctr_list[1].Enable(False)
+ #break
+ return
+
+ self.sld_data = sld_data
+ sld_list = self._get_slds_key_list(sld_data)
+ for ctr_list in self.slds:
+ for key in sld_list.keys():
+ if ctr_list[0] == key:
+ min_val = numpy.min(sld_list[key])
+ max_val = numpy.max(sld_list[key])
+ mean_val = numpy.mean(sld_list[key])
+ enable = (min_val == max_val) and \
+ sld_data.pix_type == 'pixel'
+ ctr_list[1].SetValue(format_number(mean_val, True))
+ ctr_list[1].Enable(enable)
+ #ctr_list[2].SetLabel("[" + sld_data.sld_unit + "]")
+ break
+
+ def on_sld_draw(self, event):
+ """
+ Draw sld profile as scattered plot
+ """
+ self.parent.sld_draw()
+
+ def on_save(self, event):
+ """
+ Close the window containing this panel
+ """
+ flag = True
+ flag = self.check_inputs()
+ if not flag:
+ return
+ self.sld_data = self.get_sld_val()
+ self.parent.set_main_panel_sld_data(self.sld_data)
+
+ reader = sas_gen.SLDReader()
+ extension = '*.sld'
+ path = None
+ data = None
+ location = self.parent.get_path()
+ dlg = wx.FileDialog(self, "Save sld file",
+ location, "sld_file",
+ extension,
+ wx.SAVE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ self.parent.set_file_location(os.path.dirname(path))
+ else:
+ return None
+ dlg.Destroy()
+ try:
+ if path is None:
+ return
+
+ data = self.parent.get_sld_data()
+ fName = os.path.splitext(path)[0] + '.' + extension.split('.')[-1]
+ if data != None:
+ try:
+ reader.write(fName, data)
+ except:
+ raise
+ else:
+ msg = "%s cannot write %s\n" % ('Generic Scattering', str(path))
+ infor = 'Error'
+ #logging.error(msg)
+ if self.parent.parent != None:
+ # inform msg to wx
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info=infor))
+ self.SetFocus()
+ return
+ except:
+ msg = "Error occurred while saving. "
+ infor = 'Error'
+ if self.parent.parent != None:
+ # inform msg to wx
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, info=infor))
+ self.SetFocus()
+
+ def _onparamEnter(self, event):
+ """
+ """
+ flag = True
+ if event != None:
+ event.Skip()
+ ctl = event.GetEventObject()
+ ctl.SetBackgroundColour("white")
+ #_set_error(self, ctl)
+ try:
+ float(ctl.GetValue())
+ except:
+ flag = _set_error(self, ctl)
+ if flag:
+ npts = 1
+ for item in self.nodes:
+ n_val = float(item[1].GetValue())
+ if n_val <= 0:
+ item[1].SetBackgroundColour("pink")
+ npts = -1
+ break
+ if numpy.isfinite(n_val):
+ npts *= int(n_val)
+ if npts > 0:
+ nop = self.set_npts_from_slddata()
+ if nop == None:
+ nop = npts
+ self.display_npts(nop)
+
+ ctl.Refresh()
+ return flag
+
+ def _set_volume_ctr_val(self, npts):
+ """
+ Set total volume
+ """
+ total_volume = npts * self.sld_data.vol_pix[0]
+ self.parent.set_volume_ctr_val(total_volume)
+
+ def _onstepsize(self, event):
+ """
+ On stepsize event
+ """
+ flag = True
+ if event != None:
+ event.Skip()
+ ctl = event.GetEventObject()
+ ctl.SetBackgroundColour("white")
+
+ if flag and not self.sld_data.is_data:#ctl.IsEnabled():
+ s_size = 1.0
+ try:
+ for item in self.stepsize:
+ s_val = float(item[1].GetValue())
+ if s_val <= 0:
+ item[1].SetBackgroundColour("pink")
+ ctl.Refresh()
+ return
+ if numpy.isfinite(s_val):
+ s_size *= s_val
+ self.sld_data.set_pixel_volumes(s_size)
+ if ctl.IsEnabled():
+ total_volume = sum(self.sld_data.vol_pix)
+ self.parent.set_volume_ctr_val(total_volume)
+ except:
+ pass
+ ctl.Refresh()
+
+
+ def set_npts_from_slddata(self):
+ """
+ Set total n. of points form the sld data
+ """
+ try:
+ sld_data = self.parent.get_sld_from_omf()
+ #nop = (nop * numpy.pi) / 6
+ nop = len(sld_data.sld_n)
+ except:
+ nop = None
+ return nop
+
+ def display_npts(self, nop):
+ """
+ Displays Npts ctrl
+ """
+ try:
+ self.npix_ctl.SetValue(str(nop))
+ self.npix_ctl.Refresh()
+ self.parent.set_etime()
+ wx.CallAfter(self._set_volume_ctr_val, nop)
+ except:
+ # On Init
+ pass
+
+ def check_inputs(self):
+ """
+ check if the inputs are valid
+ """
+ flag = self._check_input_helper(self.slds)
+ if flag:
+ flag = self._check_input_helper(self.nodes)
+ if flag:
+ flag = self._check_input_helper(self.stepsize)
+ return flag
+
+ def _check_input_helper(self, list):
+ """
+ Check list values
+ """
+ flag = True
+ for item in list:
+ item[1].SetBackgroundColour("white")
+ item[1].Refresh()
+ try:
+ float(item[1].GetValue())
+ except:
+ flag = _set_error(self, item[1])
+ break
+ return flag
+
+class SasGenWindow(widget.CHILD_FRAME):
+ """
+ GEN SAS main window
+ """
+ def __init__(self, parent=None, manager=None, title="Generic Scattering Calculator",
+ size=(PANEL_WIDTH * 1.4, PANEL_HEIGHT * 1.65), *args, **kwds):
+ """
+ Init
+ """
+ kwds['size'] = size
+ kwds['title'] = title
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self.base = manager
+ self.omfpanel = OmfPanel(parent=self)
+ self.panel = SasGenPanel(parent=self)
+ self.data = None
+ self.omfdata = sas_gen.OMFData()
+ self.sld_data = None
+ self._default_save_location = os.getcwd()
+
+ self._mgr = aui.AuiManager(self)
+ self._mgr.SetDockSizeConstraint(0.5, 0.5)
+ self._plot_title = ''
+ self.scale2d = 'log_{10}'
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+
+
+ self.build_panels()
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def build_panels(self):
+ """
+ """
+
+ self.set_sld_data(self.sld_data)
+ self._mgr.AddPane(self.panel, aui.AuiPaneInfo().
+ Name(self.panel.window_name).
+ CenterPane().
+ # This is where we set the size of
+ # the application window
+ BestSize(wx.Size(PANEL_WIDTH,
+ PANEL_HEIGHT)).
+ Show())
+ self._mgr.AddPane(self.omfpanel, aui.AuiPaneInfo().
+ Name(self.omfpanel.window_name).
+ Caption(self.omfpanel.window_caption).
+ CloseButton(False).
+ Right().
+ Floatable(False).
+ BestSize(wx.Size(PANEL_WIDTH / 2.5, PANEL_HEIGHT)).
+ Show())
+ self._mgr.Update()
+
+ def get_sld_data(self):
+ """
+ Return slddata
+ """
+ return self.sld_data
+
+ def get_sld_from_omf(self):
+ """
+ """
+ self.sld_data = self.omfpanel.get_sld_val()
+ return self.sld_data
+
+ def set_sld_n(self, sld):
+ """
+ """
+ self.panel.sld_data = sld
+ self.panel.model.set_sld_data(sld)
+
+ def set_sld_data(self, data):
+ """
+ Set omfdata
+ """
+ if data == None:
+ return
+ self.sld_data = data
+ enable = (not data == None)
+ self._set_omfpanel_sld_data(self.sld_data)
+ self.omfpanel.bt_save.Enable(enable)
+ self.set_etime()
+
+ def set_omfpanel_npts(self):
+ """
+ Set Npts in omf panel
+ """
+ nop = self.omfpanel.set_npts_from_slddata()
+ self.omfpanel.display_npts(nop)
+
+ def _set_omfpanel_sld_data(self, data):
+ """
+ Set sld_data in omf panel
+ """
+ self.omfpanel.set_slddata(data)
+ self.omfpanel.set_sld_ctr(data)
+
+ def check_omfpanel_inputs(self):
+ """
+ Check OMF panel inputs
+ """
+ return self.omfpanel.check_inputs()
+
+ def set_main_panel_sld_data(self, sld_data):
+ """
+ """
+ self.sld_data = sld_data
+
+ def set_file_location(self, path):
+ """
+ File location
+ """
+ self._default_save_location = path
+
+ def get_path(self):
+ """
+ File location
+ """
+ return self._default_save_location
+
+ def draw_graph(self, plot, title=''):
+ """
+ """
+ try:
+ wx.PostEvent(self.parent, NewPlotEvent(plot=plot, title=title))
+ except:
+ # standalone
+ frame = PlotFrame(self, -1, 'testView', self.scale2d)
+ #add_icon(self.parent, frame)
+ frame.add_plot(plot)
+ frame.SetTitle(title)
+ frame.Show(True)
+ frame.SetFocus()
+
+ def set_schedule_full_draw(self, panel=None, func='del'):
+ """
+ Send full draw to gui frame
+ """
+ if self.parent != None:
+ self.parent.set_schedule_full_draw(panel, func)
+
+ def get_npix(self):
+ """
+ Get no. of pixels from omf panel
+ """
+ n_pix = self.omfpanel.npix_ctl.GetValue()
+ return n_pix
+
+ def get_pix_volumes(self):
+ """
+ Get a pixel volume
+ """
+ vol = self.omfpanel.get_pix_volumes()
+ return vol
+
+ def set_volume_ctr_val(self, val):
+ """
+ Set volume txtctl value
+ """
+ try:
+ self.panel.set_volume_ctl_val(str(val))
+ except:
+ print "self.panel is not initialized yet"
+
+ def set_omfpanel_default_shap(self, shape):
+ """
+ Set default_shape in omfpanel
+ """
+ self.omfpanel.default_shape = shape
+
+ def set_etime(self):
+ """
+ Sets est. computation time on panel
+ """
+ self.panel.set_est_time()
+
+ def get_sld_data_from_omf(self):
+ """
+ """
+ data = self.omfpanel.get_sld_val()
+ return data
+
+ def set_scale2d(self, scale):
+ """
+ """
+ self.scale2d = scale
+
+ def on_panel_close(self, event):
+ """
+ """
+ #Not implemented
+
+ def on_open_file(self, event):
+ """
+ On Open
+ """
+ self.panel.on_load_data(event)
+
+ def sld_draw(self):
+ """
+ sld draw
+ """
+ self.panel.sld_draw(event=None, has_arrow=False)
+
+ def on_save_file(self, event):
+ """
+ On Close
+ """
+ self.omfpanel.on_save(event)
+
+ def on_close(self, event):
+ """
+ Close
+ """
+ if self.base != None:
+ self.base.gen_frame = None
+ self.Destroy()
+
+if __name__ == "__main__":
+ app = wx.PySimpleApp()
+ widget.CHILD_FRAME = wx.Frame
+ SGframe = SasGenWindow()
+ SGframe.Show(True)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/image_viewer.py b/src/sas/sasgui/perspectives/calculator/image_viewer.py
new file mode 100644
index 0000000..d43a772
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/image_viewer.py
@@ -0,0 +1,438 @@
+import os
+import sys
+import wx
+import numpy as np
+import matplotlib
+matplotlib.interactive(False)
+#Use the WxAgg back end. The Wx one takes too long to render
+matplotlib.use('WXAgg')
+from sas.sasgui.guiframe.local_perspectives.plotting.SimplePlot import PlotFrame
+#import matplotlib.pyplot as plt
+import matplotlib.image as mpimg
+import matplotlib.colors as colors
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.perspectives.calculator.calculator_widgets import InputTextCtrl
+from sas.sascalc.dataloader.data_info import Data2D
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sascalc.dataloader.manipulations import reader2D_converter
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+_BOX_WIDTH = 60
+IS_WIN = True
+if sys.platform.count("win32") > 0:
+ _DIALOG_WIDTH = 400
+else:
+ _DIALOG_WIDTH = 480
+ IS_WIN = False
+
+class ImageView:
+ """
+ Open a file dialog to allow the user to select a given file.
+ Display the loaded data if available.
+ """
+ def __init__(self, parent=None):
+ """
+ Init
+ """
+ self.parent = parent
+
+ def load(self):
+ """
+ load image files
+ """
+ parent = self.parent
+ if parent == None:
+ location = os.getcwd()
+ else:
+ location = parent._default_save_location
+ path_list = self.choose_data_file(location=location)
+ if path_list == None:
+ return
+ if len(path_list) >= 0 and not(path_list[0]is None):
+ if parent != None:
+ parent._default_save_location = os.path.dirname(path_list[0])
+ err_msg = ''
+ for file_path in path_list:
+ basename = os.path.basename(file_path)
+ _, extension = os.path.splitext(basename)
+ try:
+ img = mpimg.imread(file_path)
+ is_png = extension.lower() == '.png'
+ plot_frame = ImageFrame(parent, -1, basename, img)
+ plot_frame.Show(False)
+ ax = plot_frame.plotpanel
+ if not is_png:
+ ax.subplot.set_ylim(ax.subplot.get_ylim()[::-1])
+ ax.subplot.set_xlabel('x [pixel]')
+ ax.subplot.set_ylabel('y [pixel]')
+ ax.figure.subplots_adjust(left=0.15, bottom=0.1,
+ right=0.95, top=0.95)
+ plot_frame.SetTitle('Picture -- %s --' % basename)
+ plot_frame.Show(True)
+ if parent != None:
+ parent.put_icon(plot_frame)
+ except:
+ err_msg += "Failed to load '%s'.\n" % basename
+ if err_msg:
+ if parent is not None:
+ wx.PostEvent(parent, StatusEvent(status=err_msg, info="error"))
+ else:
+ print err_msg
+
+ def choose_data_file(self, location=None):
+ """
+ Open a file dialog to allow loading a file
+ """
+ path = None
+ if location == None:
+ location = os.getcwd()
+ dlg = wx.FileDialog(self.parent, "Image Viewer: Choose a image file",
+ location, "", "", style=wx.FD_OPEN | wx.FD_MULTIPLE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPaths()
+ else:
+ return None
+ dlg.Destroy()
+ return path
+
+class ImageFrame(PlotFrame):
+ """
+ Frame for simple plot
+ """
+ def __init__(self, parent, id, title, image=None, scale='log_{10}',
+ size=wx.Size(550, 470)):
+ """
+ comment
+ :Param data: image array got from imread() of matplotlib [narray]
+ :param parent: parent panel/container
+ """
+ # Initialize the Frame object
+ PlotFrame.__init__(self, parent, id, title, scale, size,
+ show_menu_icons=False)
+ self.parent = parent
+ self.data = image
+ self.file_name = title
+
+ menu = wx.Menu()
+ id = wx.NewId()
+ item = wx.MenuItem(menu, id, "&Convert to Data")
+ menu.AppendItem(item)
+ wx.EVT_MENU(self, id, self.on_set_data)
+ self.menu_bar.Append(menu, "&Image")
+
+ menu_help = wx.Menu()
+ id = wx.NewId()
+ item = wx.MenuItem(menu_help, id, "&HowTo")
+ menu_help.AppendItem(item)
+ wx.EVT_MENU(self, id, self.on_help)
+ self.menu_bar.Append(menu_help, "&Help")
+
+ self.SetMenuBar(self.menu_bar)
+ self.im_show(image)
+
+ def on_set_data(self, event):
+ """
+ Rescale the x y range, make 2D data and send it to data explore
+ """
+ title = self.file_name
+ self.panel = SetDialog(parent=self, title=title, image=self.data)
+ self.panel.ShowModal()
+
+ def on_help(self, event):
+ """
+ Bring up Image Viewer Documentation from the image viewer window
+ whenever the help menu item "how to" is clicked. Calls
+ DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....".
+
+ :param evt: Triggers on clicking "how to" in help menu
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "image_viewer_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Image Viewer Help")
+
+
+class SetDialog(wx.Dialog):
+ """
+ Dialog for Data Set
+ """
+ def __init__(self, parent, id= -1, title="Convert to Data", image=None,
+ size=(_DIALOG_WIDTH, 270)):
+ wx.Dialog.__init__(self, parent, id, title, size)
+ # parent
+ self.parent = parent
+ self.base = parent.parent
+ self.title = title
+ self.image = np.array(image)
+ self.z_ctrl = None
+ self.xy_ctrls = []
+ self.is_png = self._get_is_png()
+ self._build_layout()
+ my_title = "Convert Image to Data - %s -" % self.title
+ self.SetTitle(my_title)
+ self.SetSize(size)
+
+ def _get_is_png(self):
+ """
+ Get if the image file is png
+ """
+ _, extension = os.path.splitext(self.title)
+ return extension.lower() == '.png'
+
+ def _build_layout(self):
+ """
+ Layout
+ """
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ zbox = wx.BoxSizer(wx.HORIZONTAL)
+ xbox = wx.BoxSizer(wx.HORIZONTAL)
+ ybox = wx.BoxSizer(wx.HORIZONTAL)
+ btnbox = wx.BoxSizer(wx.VERTICAL)
+
+ sb_title = wx.StaticBox(self, -1, 'Transform Axes')
+ boxsizer = wx.StaticBoxSizer(sb_title, wx.VERTICAL)
+ z_title = wx.StaticText(self, -1, 'z values (range: 0 - 255) to:')
+ ztime_title = wx.StaticText(self, -1, 'z *')
+ x_title = wx.StaticText(self, -1, 'x values from pixel # to:')
+ xmin_title = wx.StaticText(self, -1, 'xmin:')
+ xmax_title = wx.StaticText(self, -1, 'xmax:')
+ y_title = wx.StaticText(self, -1, 'y values from pixel # to:')
+ ymin_title = wx.StaticText(self, -1, 'ymin: ')
+ ymax_title = wx.StaticText(self, -1, 'ymax:')
+ z_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH , 20),
+ style=wx.TE_PROCESS_ENTER)
+
+ xmin_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ xmax_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ymin_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ymax_ctl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ z_ctl.SetValue('1.0')
+ xmin_ctl.SetValue('-0.3')
+ xmax_ctl.SetValue('0.3')
+ ymin_ctl.SetValue('-0.3')
+ ymax_ctl.SetValue('0.3')
+ z_ctl.Bind(wx.EVT_TEXT, self._on_z_enter)
+ xmin_ctl.Bind(wx.EVT_TEXT, self._onparam)
+ xmax_ctl.Bind(wx.EVT_TEXT, self._onparam)
+ ymin_ctl.Bind(wx.EVT_TEXT, self._onparam)
+ ymax_ctl.Bind(wx.EVT_TEXT, self._onparam)
+ xbox.AddMany([(x_title , 0, wx.LEFT, 0),
+ (xmin_title , 0, wx.LEFT, 10),
+ (xmin_ctl , 0, wx.LEFT, 10),
+ (xmax_title , 0, wx.LEFT, 10),
+ (xmax_ctl , 0, wx.LEFT, 10)])
+ ybox.AddMany([(y_title , 0, wx.LEFT, 0),
+ (ymin_title , 0, wx.LEFT, 10),
+ (ymin_ctl , 0, wx.LEFT, 10),
+ (ymax_title , 0, wx.LEFT, 10),
+ (ymax_ctl , 0, wx.LEFT, 10)])
+ zbox.AddMany([(z_title , 0, wx.LEFT, 0),
+ (ztime_title, 0, wx.LEFT, 10),
+ (z_ctl , 0, wx.LEFT, 7),
+ ])
+ msg = "The data rescaled will show up in the Data Explorer. \n"
+ msg += "*Note: Recommend to use an image with 8 bit Grey \n"
+ msg += " scale (and with No. of pixels < 300 x 300).\n"
+ msg += " Otherwise, z = 0.299R + 0.587G + 0.114B."
+ note_txt = wx.StaticText(self, -1, msg)
+ note_txt.SetForegroundColour("black")
+ hbox = wx.BoxSizer(wx.HORIZONTAL)
+ okButton = wx.Button(self, -1, 'OK')
+ okButton.Bind(wx.EVT_BUTTON, self.on_set)
+ cancelButton = wx.Button(self, -1, 'Cancel')
+ cancelButton.Bind(wx.EVT_BUTTON, self.OnClose)
+ btnbox.Add(okButton, 0, wx.LEFT | wx.BOTTOM, 5)
+ btnbox.Add(cancelButton, 0, wx.LEFT | wx.TOP, 5)
+ hbox.Add(note_txt, 0, wx.LEFT, 5)
+ hbox.Add(btnbox, 0, wx.LEFT, 15)
+ vbox.Add((10, 15))
+ boxsizer.Add(xbox, 1, wx.LEFT | wx.BOTTOM, 5)
+ boxsizer.Add(ybox, 1, wx.LEFT | wx.BOTTOM, 5)
+ boxsizer.Add(zbox, 1, wx.LEFT | wx.BOTTOM, 5)
+ vbox.Add(boxsizer, 0, wx.LEFT, 20)
+ vbox.Add(hbox, 0, wx.LEFT | wx.TOP, 15)
+ okButton.SetFocus()
+ # set sizer
+ self.SetSizer(vbox)
+ #pos = self.parent.GetPosition()
+ #self.SetPosition(pos)
+ self.z_ctrl = z_ctl
+ self.xy_ctrls = [[xmin_ctl, xmax_ctl], [ymin_ctl, ymax_ctl]]
+
+ def _onparamEnter(self, event=None):
+ """
+ By pass original txtcrl binding
+ """
+ pass
+
+ def _onparam(self, event=None):
+ """
+ Set to default
+ """
+ item = event.GetEventObject()
+ self._check_ctrls(item)
+
+ def _check_ctrls(self, item, is_button=False):
+ """
+ """
+ flag = True
+ item.SetBackgroundColour("white")
+ try:
+ val = float(item.GetValue())
+ if val < -10.0 or val > 10.0:
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ flag = False
+ except:
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ flag = False
+ if not flag and is_button:
+ err_msg = "The allowed range of the min and max values are \n"
+ err_msg += "between -10 and 10."
+ if self.base is not None:
+ wx.PostEvent(self.base, StatusEvent(status=err_msg,
+ info="error"))
+ else:
+ print err_msg
+ return flag
+
+ def _on_z_enter(self, event=None):
+ """
+ On z factor enter
+ """
+ item = event.GetEventObject()
+ self._check_z_ctrl(item)
+
+ def _check_z_ctrl(self, item, is_button=False):
+ """
+ """
+ flag = True
+ item.SetBackgroundColour("white")
+ try:
+ val = float(item.GetValue())
+ if val <= 0:
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ flag = False
+ except:
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ flag = False
+ if not flag and is_button:
+ err_msg = "The z scale value should be larger than 0."
+ if self.base is not None:
+ wx.PostEvent(self.base, StatusEvent(status=err_msg,
+ info="error"))
+ else:
+ print err_msg
+ return flag
+
+ def on_set(self, event):
+ """
+ Set image as data
+ """
+ event.Skip()
+ # Check the textctrl values
+ for item_list in self.xy_ctrls:
+ for item in item_list:
+ if not self._check_ctrls(item, True):
+ return
+ if not self._check_z_ctrl(self.z_ctrl, True):
+ return
+ try:
+ image = self.image
+ xmin = float(self.xy_ctrls[0][0].GetValue())
+ xmax = float(self.xy_ctrls[0][1].GetValue())
+ ymin = float(self.xy_ctrls[1][0].GetValue())
+ ymax = float(self.xy_ctrls[1][1].GetValue())
+ zscale = float(self.z_ctrl.GetValue())
+ self.convert_image(image, xmin, xmax, ymin, ymax, zscale)
+ except:
+ err_msg = "Error occurred while converting Image to Data."
+ if self.base is not None:
+ wx.PostEvent(self.base, StatusEvent(status=err_msg,
+ info="error"))
+ else:
+ print err_msg
+
+ self.OnClose(event)
+
+ def convert_image(self, rgb, xmin, xmax, ymin, ymax, zscale):
+ """
+ Convert image to data2D
+ """
+ x_len = len(rgb[0])
+ y_len = len(rgb)
+ x_vals = np.linspace(xmin, xmax, num=x_len)
+ y_vals = np.linspace(ymin, ymax, num=y_len)
+ # Instantiate data object
+ output = Data2D()
+ output.filename = os.path.basename(self.title)
+ output.id = output.filename
+ detector = Detector()
+ detector.pixel_size.x = None
+ detector.pixel_size.y = None
+ # Store the sample to detector distance
+ detector.distance = None
+ output.detector.append(detector)
+ # Initiazed the output data object
+ output.data = zscale * self.rgb2gray(rgb)
+ output.err_data = np.zeros([x_len, y_len])
+ output.mask = np.ones([x_len, y_len], dtype=bool)
+ output.xbins = x_len
+ output.ybins = y_len
+ output.x_bins = x_vals
+ output.y_bins = y_vals
+ output.qx_data = np.array(x_vals)
+ output.qy_data = np.array(y_vals)
+ output.xmin = xmin
+ output.xmax = xmax
+ output.ymin = ymin
+ output.ymax = ymax
+ output.xaxis('\\rm{Q_{x}}', '\AA^{-1}')
+ output.yaxis('\\rm{Q_{y}}', '\AA^{-1}')
+ # Store loading process information
+ output.meta_data['loader'] = self.title.split('.')[-1] + "Reader"
+ output.is_data = True
+ output = reader2D_converter(output)
+ if self.base != None:
+ data = self.base.create_gui_data(output, self.title)
+ self.base.add_data({data.id:data})
+
+ def rgb2gray(self, rgb):
+ """
+ RGB to Grey
+ """
+ if self.is_png:
+ # png image limits: 0 to 1, others 0 to 255
+ #factor = 255.0
+ rgb = rgb[::-1]
+ if rgb.ndim == 2:
+ grey = np.rollaxis(rgb, axis=0)
+ else:
+ red, green, blue = np.rollaxis(rgb[..., :3], axis= -1)
+ grey = 0.299 * red + 0.587 * green + 0.114 * blue
+ max_i = rgb.max()
+ factor = 255.0 / max_i
+ grey *= factor
+ return np.array(grey)
+
+ def OnClose(self, event):
+ """
+ Close event
+ """
+ # clear event
+ event.Skip()
+ self.Destroy()
+
+if __name__ == "__main__":
+ app = wx.App()
+ ImageView(None).load()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/images/ball.icns b/src/sas/sasgui/perspectives/calculator/images/ball.icns
new file mode 100644
index 0000000..552c0c3
Binary files /dev/null and b/src/sas/sasgui/perspectives/calculator/images/ball.icns differ
diff --git a/src/sas/sasgui/perspectives/calculator/images/ball.ico b/src/sas/sasgui/perspectives/calculator/images/ball.ico
new file mode 100644
index 0000000..b62ed66
Binary files /dev/null and b/src/sas/sasgui/perspectives/calculator/images/ball.ico differ
diff --git a/src/sas/sasgui/perspectives/calculator/kiessig_calculator_panel.py b/src/sas/sasgui/perspectives/calculator/kiessig_calculator_panel.py
new file mode 100644
index 0000000..8999838
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/kiessig_calculator_panel.py
@@ -0,0 +1,248 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2008, 2009, University of Tennessee
+"""
+
+import wx
+import sys
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sascalc.calculator.kiessig_calculator import KiessigThicknessCalculator
+from calculator_widgets import OutputTextCtrl
+from calculator_widgets import InputTextCtrl
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+_BOX_WIDTH = 77
+#Slit length panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 230
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ PANEL_WIDTH = 560
+ PANEL_HEIGHT = 230
+ FONT_VARIANT = 1
+
+class KiessigThicknessCalculatorPanel(wx.Panel, PanelBase):
+ """
+ Provides the Kiessig thickness calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Kiessig Thickness Calculator"
+ ## Name to appear on the window title bar
+ window_caption = "Kiessig Thickness Calculator"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+ def __init__(self, parent, *args, **kwds):
+ wx.Panel.__init__(self, parent, *args, **kwds)
+ PanelBase.__init__(self)
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # Object that receive status event
+ self.parent = parent
+ self.kiessig = KiessigThicknessCalculator()
+ #layout attribute
+ self.hint_sizer = None
+ self._do_layout()
+
+ def _define_structure(self):
+ """
+ Define the main sizers building to build this application.
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_source = wx.StaticBox(self, -1,
+ str("Kiessig Thickness Calculator"))
+ self.boxsizer_source = wx.StaticBoxSizer(self.box_source,
+ wx.VERTICAL)
+ self.dq_name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.thickness_size_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_dq_name(self):
+ """
+ Fill the sizer containing dq name
+ """
+ # get the default dq
+ dq_value = str(self.kiessig.get_deltaq())
+ dq_unit_txt = wx.StaticText(self, -1, '[1/A]')
+ dq_name_txt = wx.StaticText(self, -1,
+ 'Kiessig Fringe Width (Delta Q): ')
+ self.dq_name_tcl = InputTextCtrl(self, -1,
+ size=(_BOX_WIDTH,-1))
+ dq_hint = "Type the Kiessig Fringe Width (Delta Q)"
+ self.dq_name_tcl.SetValue(dq_value)
+ self.dq_name_tcl.SetToolTipString(dq_hint)
+ #control that triggers importing data
+ id = wx.NewId()
+ self.compute_button = wx.Button(self, id, "Compute")
+ hint_on_compute = "Compute the diameter/thickness in the real space."
+ self.compute_button.SetToolTipString(hint_on_compute)
+ self.Bind(wx.EVT_BUTTON, self.on_compute, id=id)
+ self.dq_name_sizer.AddMany([(dq_name_txt, 0, wx.LEFT, 15),
+ (self.dq_name_tcl, 0, wx.LEFT, 15),
+ (dq_unit_txt, 0, wx.LEFT, 10),
+ (self.compute_button, 0, wx.LEFT, 30)])
+
+ def _layout_thickness_size(self):
+ """
+ Fill the sizer containing thickness information
+ """
+ thick_unit = '['+self.kiessig.get_thickness_unit() +']'
+ thickness_size_txt = wx.StaticText(self, -1,
+ 'Thickness (or Diameter): ')
+ self.thickness_size_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH,-1))
+ thickness_size_hint = " Estimated Size in Real Space"
+ self.thickness_size_tcl.SetToolTipString(thickness_size_hint)
+ thickness_size_unit_txt = wx.StaticText(self, -1, thick_unit)
+
+ self.thickness_size_sizer.AddMany([(thickness_size_txt, 0, wx.LEFT, 15),
+ (self.thickness_size_tcl, 0, wx.LEFT, 15),
+ (thickness_size_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_hint(self):
+ """
+ Fill the sizer containing hint
+ """
+ hint_msg = "This tool is to approximately estimate "
+ hint_msg += "the thickness of a layer"
+ hint_msg += " or the diameter of particles\n "
+ hint_msg += "from the Kiessig fringe width in SAS/NR data."
+ hint_msg += ""
+ self.hint_txt = wx.StaticText(self, -1, hint_msg)
+ self.hint_sizer.AddMany([(self.hint_txt, 0, wx.LEFT, 15)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ id = wx.NewId()
+ self.bt_help = wx.Button(self, id, 'HELP')
+ self.bt_help.Bind(wx.EVT_BUTTON, self.on_help)
+ self.bt_help.SetToolTipString("Help using the Kiessig fringe calculator.")
+
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.bt_close.SetToolTipString("Close this window.")
+ self.button_sizer.AddMany([(self.bt_help, 0, wx.LEFT, 260),
+ (self.bt_close, 0, wx.LEFT, 20)])
+
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ self._define_structure()
+ self._layout_dq_name()
+ self._layout_thickness_size()
+ self._layout_hint()
+ self._layout_button()
+ self.boxsizer_source.AddMany([(self.dq_name_sizer, 0,
+ wx.EXPAND|wx.TOP|wx.BOTTOM, 5),
+ (self.thickness_size_sizer, 0,
+ wx.EXPAND|wx.TOP|wx.BOTTOM, 5),
+ (self.hint_sizer, 0,
+ wx.EXPAND|wx.TOP|wx.BOTTOM, 5)])
+ self.main_sizer.AddMany([(self.boxsizer_source, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND|wx.TOP|wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def on_help(self, event):
+ """
+ Bring up the Kiessig fringe calculator Documentation whenever
+ the HELP button is clicked.
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "kiessig_calculator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Density/Volume Calculator Help")
+
+ def on_close(self, event):
+ """
+ close the window containing this panel
+ """
+ self.parent.Close()
+ if event is not None:
+ event.Skip()
+
+ def on_compute(self, event):
+ """
+ Execute the computation of thickness
+ """
+ # skip for another event
+ if event != None:
+ event.Skip()
+ dq = self.dq_name_tcl.GetValue()
+ self.kiessig.set_deltaq(dq)
+ # calculate the thickness
+ output = self.kiessig.compute_thickness()
+ thickness = self.format_number(output)
+ # set tcl
+ self.thickness_size_tcl.SetValue(str(thickness))
+
+ def format_number(self, value=None):
+ """
+ Return a float in a standardized, human-readable formatted string
+ """
+ try:
+ value = float(value)
+ except:
+ output = None
+ return output
+
+ output = "%-7.4g" % value
+ return output.lstrip().rstrip()
+
+ def _onparamEnter(self, event = None):
+ """
+ On Text_enter_callback, perform compute
+ """
+ self.on_compute(event)
+
+class KiessigWindow(widget.CHILD_FRAME):
+ def __init__(self, parent=None, manager=None,
+ title="Kiessig Thickness Calculator",
+ size=(PANEL_WIDTH,PANEL_HEIGHT), *args, **kwds):
+ kwds['title'] = title
+ kwds['size'] = size
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self.panel = KiessigThicknessCalculatorPanel(parent=self)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def on_close(self, event):
+ """
+ Close event
+ """
+ if self.manager != None:
+ self.manager.kiessig_frame = None
+ self.Destroy()
+
+if __name__ == "__main__":
+ app = wx.PySimpleApp()
+ widget.CHILD_FRAME = wx.Frame
+ frame = KiessigWindow()
+ frame.Show(True)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/load_thread.py b/src/sas/sasgui/perspectives/calculator/load_thread.py
new file mode 100644
index 0000000..7ad2a7a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/load_thread.py
@@ -0,0 +1,89 @@
+"""
+ Thread handler used to load data
+"""
+import time
+from sas.sascalc.data_util.calcthread import CalcThread
+from sas.sascalc.dataloader.loader import Loader
+
+class DataReader(CalcThread):
+ """
+ Load a data given a filename
+ """
+ def __init__(self, path, completefn=None,
+ updatefn=None,
+ yieldtime=0.01,
+ worktime=0.01
+ ):
+ CalcThread.__init__(self, completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.path = path
+ #Instantiate a loader
+ self.loader = Loader()
+ self.starttime = 0
+
+ def isquit(self):
+ """
+ @raise KeyboardInterrupt: when the thread is interrupted
+ """
+ try:
+ CalcThread.isquit(self)
+ except KeyboardInterrupt:
+ raise KeyboardInterrupt
+
+
+ def compute(self):
+ """
+ read some data
+ """
+ self.starttime = time.time()
+ try:
+ data = self.loader.load(self.path)
+ self.complete(data=data)
+ except KeyboardInterrupt:
+ # Thread was interrupted, just proceed and re-raise.
+ # Real code should not print, but this is an example...
+ raise
+
+class GenReader(CalcThread):
+ """
+ Load a sld data given a filename
+ """
+ def __init__(self, path, loader,
+ completefn=None,
+ updatefn=None,
+ yieldtime=0.01,
+ worktime=0.01
+ ):
+ CalcThread.__init__(self, completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.path = path
+ #Instantiate a loader
+ self.loader = loader
+ self.starttime = 0
+
+ def isquit(self):
+ """
+ @raise KeyboardInterrupt: when the thread is interrupted
+ """
+ try:
+ CalcThread.isquit(self)
+ except KeyboardInterrupt:
+ raise KeyboardInterrupt
+
+
+ def compute(self):
+ """
+ read some data
+ """
+ self.starttime = time.time()
+ try:
+ data = self.loader.read(self.path)
+ self.complete(data=data)
+ except:
+ # Thread was interrupted, just proceed and re-raise.
+ # Real code should not print, but this is an example...
+ raise
diff --git a/src/sas/sasgui/perspectives/calculator/media/data_oper_pic.png b/src/sas/sasgui/perspectives/calculator/media/data_oper_pic.png
new file mode 100644
index 0000000..2c7ded3
Binary files /dev/null and b/src/sas/sasgui/perspectives/calculator/media/data_oper_pic.png differ
diff --git a/src/sas/sasgui/perspectives/calculator/media/data_operator_help.rst b/src/sas/sasgui/perspectives/calculator/media/data_operator_help.rst
new file mode 100644
index 0000000..5bdfc59
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/data_operator_help.rst
@@ -0,0 +1,55 @@
+.. data_operator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+Data Operations Tool
+====================
+
+Description
+-----------
+
+This tool permits arithmetic operations between two data sets. Alternatively,
+the last data set can be a number.
+
+*NOTE! When* Data1 *and* Data2 *are both data, their Q (or Qx and Qy for 2D)
+value(s) must match with each other UNLESS using the 'append' operator.*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+1) Ensure you have loaded data into the *Data Explorer* (see :ref:`Loading_data`).
+
+2) Select *Data Operation* from the *Tool* menu on the SasView toolbar.
+
+3) Select a dataset/theory in the drop-down menu *Data1*. A mini-plot of the
+ data will appear underneath.
+
+4) Select a dataset/theory in the drop-down menu *Data2* or select *Number*
+ and enter a number in the box that appears alongside.
+
+5) Select an arithmetic operator symbol from the *Operator* drop-down. The
+ available operators are:
+
+* \+ (for addition)
+* \- (for subtraction)
+* \* (for multiplication)
+* \/ (for division)
+* \| (for combination of two data sets)
+
+ If two data sets do not match, the operation will fail and the background
+ color of the combo box items will turn to red (WIN only).
+
+6) If the operation is successful, hit the Apply button to make the new dataset.
+ The new dataset will appear in the *Data Explorer*.
+
+*NOTE! Any errors and warnings will be displayed at the bottom of the SasView
+window.*
+
+.. image:: data_oper_pic.png
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/density_calculator_help.rst b/src/sas/sasgui/perspectives/calculator/media/density_calculator_help.rst
new file mode 100644
index 0000000..3f00e10
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/density_calculator_help.rst
@@ -0,0 +1,35 @@
+.. density_calculator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+Density/Volume Calculator Tool
+==============================
+
+Description
+-----------
+
+This tool calculates the mass density from the molar volume or vice
+versa. To calculate the mass density, the chemical formula and molar volume
+should be provided.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+1) Select *Density/Volume Calculator* from the *Tool* menu on the SasView toolbar.
+
+2) Enter the empirical formula of a molecule. For mixtures, the ratio of each
+ of the molecules should be used, for example, (H2O)0.5(D2O)0.5.
+
+3) Use the input combo box to choose between molar volume or mass density and
+ then type in an input value.
+
+4) Click the 'Calculate' button to perform the calculation.
+
+.. image:: density_tutor.gif
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/density_tutor.gif b/src/sas/sasgui/perspectives/calculator/media/density_tutor.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/dm_eq.gif b/src/sas/sasgui/perspectives/calculator/media/dm_eq.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/gen_debye_eq.gif b/src/sas/sasgui/perspectives/calculator/media/gen_debye_eq.gif
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index 0000000..ae14cc8
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diff --git a/src/sas/sasgui/perspectives/calculator/media/gen_gui_help.bmp b/src/sas/sasgui/perspectives/calculator/media/gen_gui_help.bmp
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diff --git a/src/sas/sasgui/perspectives/calculator/media/gen_mag_pic.bmp b/src/sas/sasgui/perspectives/calculator/media/gen_mag_pic.bmp
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diff --git a/src/sas/sasgui/perspectives/calculator/media/gen_sas_help.html b/src/sas/sasgui/perspectives/calculator/media/gen_sas_help.html
new file mode 100644
index 0000000..4cc3166
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/gen_sas_help.html
@@ -0,0 +1,147 @@
+<body>
+<h4>Generic Scattering Calculator:</h4>
+Polarization and Magnetic Scattering
+<br>
+<br>
+<ul>
+<li><a href="#theory">Theory:</a></li>
+<li><a href="#gui">GUI</a></li>
+<li><a href="#pdb">PDB Data</a></li>
+</ul>
+<br>
+<br>
+<b>1. <a name="theory">Theory</a> </b>
+<br>
+In general, a particle with a volume V can be described by an ensemble containing N
+3-dimensional rectangular pixels where each pixels are much smaller than V.
+Assuming that
+all the pixel sizes are same, the elastic scattering intensity
+by the particle
+<p>
+<img src="gen_i.gif"/>
+</p>
+<br>
+where β<sub>j</sub> and r<sub>j</sub> are the scattering
+length density and the position
+of the j'th pixel respectively. And the total volume
+<p>
+<img src="v_j.gif"/>
+</p>
+<br>
+for β<sub>j</sub> ≠ 0 where v<sub>j</sub> is the volume of the j'th pixel
+(or the j'th natural atomic volume (= atomic mass/natural molar density/Avogadro number)
+ for the atomic structures). The total volume V can be corrected by users.
+This correction is useful especially for an atomic structure (taken from a pdb file) to get the right
+normalization. Note that the β<sub>j</sub> displayed in GUI may be incorrect but will not
+affect the scattering computation if the correction of the total volume is made.
+<br>
+The scattering length density (SLD) of each pixel where the SLD is uniform, is a combination of the nuclear and magnetic SLDs
+and depends on the spin states of the neutrons as follows:
+<br>
+<br>
+For magnetic scattering, only the magnetization component, <b>M</b><sub>perp</sub>,
+perpendicular to the scattering vector <b>Q</b> contributes to the the magnetic
+scattering length. (Figure below).
+<p>
+<img src="mag_vector.bmp"/>
+</p>
+<br>
+The magnetic scattering length density is then
+<p>
+<img src="dm_eq.gif"/>
+</p>
+<br>
+where γ = -1.913 the gyromagnetic ratio, μ<sub>B</sub> is the Bohr magneton,
+r<sub>0</sub> is the classical radius of electron,
+and <b>σ</b> is the Pauli spin.
+<br>
+For polarized neutron, the magnetic scattering is depending on the spin states.
+Let's consider that the incident neutrons are polarized parallel (+)/anti-parallel
+(–) to the x' axis (See both Figures above).
+The possible out-coming states then are + and - states for both incident states.
+<br>
+ - Non-spin-flips: (+ +) and (- -)
+<br>
+ - Spin-flips: (+ -) and (- +)
+<br>
+<p>
+<img src="gen_mag_pic.bmp"/>
+</p>
+<br>
+<br>
+Now, let's assume that the angles of the <b>Q</b> vector and the spin-axis (x') from x-axis
+are φ and θ<sub>up</sub>, respectively (See Figure above).
+Then, depending upon the polarization (spin) state of neutrons, the scattering length
+densities , including the nuclear scattering length density (β <sub>N</sub>) are given as, for non-spin-flips,
+<p>
+<img src="sld1.gif"/>
+</p>
+<br>
+<br>
+for spin-flips,
+<p>
+<img src="sld2.gif"/>
+</p>
+<br>
+<br>
+where
+<p>
+<img src="mxp.gif"/>
+</p>
+<p>
+<img src="myp.gif"/>
+</p>
+<p>
+<img src="mzp.gif"/>
+</p>
+<p>
+<img src="mqx.gif"/>
+</p>
+<p>
+<img src="mqy.gif"/>
+</p>
+<br>
+<br>
+Here, the M<sub>0x</sub>, M<sub>0y</sub> and M<sub>0z</sub> are the x, y and z
+components of the magnetization vector given in the xyz lab frame.
+<br>
+<br>
+<b>2. <a name="gui">GUI</a> </b>
+<br>
+<p>
+<img src="gen_gui_help.bmp"/>
+</p>
+<br>
+<p>
+After the computation, the result will be listed in the 'Theory' box
+in the data explorer panel on the main window.
+<br>
+The 'Up_frac_in' and 'Up_frac_out' are the ratio, (spin up) /(spin up + spin down) neutrons
+before the sample and at the analyzer, respectively.
+</p>
+<br>
+*Note I: The values of 'Up_frac_in' and 'Up_frac_out' must be in the range between 0 and 1.
+For example, both values are 0.5 for unpolarized neutrons.
+<br>
+*Note II: This computation is totally based on the pixel (or atomic) data fixed
+in the xyz coordinates. Thus no angular orientational averaging is considered.
+<br>
+*Note III: For the nuclear scattering length density, only the real component is taken account.
+<br>
+<br>
+<b>3. <a name="pdb">PDB Data</a> </b>
+<br>
+This Generic scattering calculator also supports some pdb files without considering polarized/magnetic scattering
+ so that the related parameters such as Up_*** will be ignored (see the Picture below). The calculation for fixed orientation uses (the first) Equation above resulting
+in a 2D output, whileas the scattering calculation averaged over all the orientations uses the Debye equation providing a 1D output:
+ <p>
+<img src="gen_debye_eq.gif"/>
+</p>
+<br>
+where v<sub>j</sub>β<sub>j</sub> ≡ b<sub>j</sub> is the scattering length of the j'th atom.
+The resultant outputs will be displayed in the DataExporer for further uses.
+<br>
+ <p>
+<img src="pdb_combo.jpg"/>
+</p>
+</body>
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/calculator/media/image_viewer_help.rst b/src/sas/sasgui/perspectives/calculator/media/image_viewer_help.rst
new file mode 100644
index 0000000..d5ed5c2
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/image_viewer_help.rst
@@ -0,0 +1,57 @@
+.. image_viewer_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. _Image_Viewer_Tool:
+
+Image Viewer Tool
+=================
+
+Description
+-----------
+
+This tool loads image files and displays them as 2D (x-y coordinate against
+counts per pixel). The plot can then can be saved, printed, and copied. The
+plot can also be resized by dragging the corner of the panel.
+
+The supported input image formats are:
+
+* BMP (bitmap format)
+* GIF (graphical interchange format)
+* JPG (joint photographic experts group format)
+* PNG (portable network graphics format)
+* TIF (tagged image format)
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+1) Select *Image Viewer* from the *Tool* menu on the SasView toolbar.
+
+2) Select a file and then click *Open*. If the loading is successful the image
+ will be displayed.
+
+.. image:: load_image.bmp
+
+3) To save, print, or copy the image, or to apply a grid overlay, right-click
+ anywhere in the plot.
+
+.. image:: pic_plot.bmp
+
+4. If the image is taken from a 2D detector, SasView can attempt to convert
+ the colour/grey scale into pseudo-intensity 2D data using
+
+ z = (0.299 x R) + (0.587 x G) + (0.114 x B)
+
+ unless the image is formatted as 8-bit grey-scale TIF.
+
+5. In the *Convert to Data* dialog, set the parameters relevant to the data and
+ then click the OK.
+
+.. image:: pic_convert.bmp
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/kiessig_calculator_help.rst b/src/sas/sasgui/perspectives/calculator/media/kiessig_calculator_help.rst
new file mode 100644
index 0000000..900a80a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/kiessig_calculator_help.rst
@@ -0,0 +1,29 @@
+.. kiessig_calculator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+Kiessig Thickness Calculator Tool
+=================================
+
+Description
+-----------
+
+This tool is approximately estimates the thickness of a layer or the diameter
+of particles from the position of the Kiessig fringe/Bragg peak in NR/SAS data
+using the relation
+
+(thickness *or* size) = 2 * |pi| / (fringe_width *or* peak position)
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+To get a rough thickness or particle size, simply type the fringe or peak
+position (in units of 1/|Ang|\) and click on the *Compute* button.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
+
diff --git a/src/sas/sasgui/perspectives/calculator/media/load_image.bmp b/src/sas/sasgui/perspectives/calculator/media/load_image.bmp
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diff --git a/src/sas/sasgui/perspectives/calculator/media/python_shell_help.rst b/src/sas/sasgui/perspectives/calculator/media/python_shell_help.rst
new file mode 100644
index 0000000..64510a1
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/python_shell_help.rst
@@ -0,0 +1,37 @@
+.. python_shell_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+.. Text revised during Code Camp V in Oct 2016.
+
+.. _Python_shell:
+
+Python Shell-Editor Tool
+========================
+
+Description
+-----------
+
+This is a Python shell/editor provided with WxPython.
+
+For the help about Python, visit the website http://docs.python.org/tutorial/
+
+.. note:: This shell/editor has its own help, but the Help() and Credits() calls do not work on Macs.
+
+The NumPy, SciPy, and Matplotlib, etc, libraries are shipped with SasView and so functions from these can be imported into the shell/editor, however, some functionality may not work.
+
+.. image:: new_pycrust_example.png
+ :align: center
+
+When a Python file, for example a fitting model, is created or loaded with the *New* or *Open* options from the menu, a new tab opens with an editing notebook.
+
+.. image:: new_pycrust_example_2.png
+ :align: center
+
+If a Python (.py) model has a linked C (.c) subroutine *in the same folder* then the shell/editor will open both! However input focus is usually transferred to the tab with the .c file.
+
+To compile a model, select *Run* > *Check Model* from the shell/editor menu. If the model contains a unit test (which it should!!!) then this will also run and a popup window will report the success/failure of the test.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 10Oct2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/q.gif b/src/sas/sasgui/perspectives/calculator/media/q.gif
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index 0000000..9078ae4
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diff --git a/src/sas/sasgui/perspectives/calculator/media/resolution_calculator_help.rst b/src/sas/sasgui/perspectives/calculator/media/resolution_calculator_help.rst
new file mode 100644
index 0000000..52e4611
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/resolution_calculator_help.rst
@@ -0,0 +1,103 @@
+.. resolution_calculator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+Q Resolution Estimator Tool
+===========================
+
+Description
+-----------
+
+This tool is approximately estimates the resolution of Q from SAS instrumental
+parameter values assuming that the detector is flat and normal to the
+incident beam.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+1) Select *SAS Resolution Estimator* from the *Tool* menu on the SasView toolbar.
+
+2) Select the source (Neutron or Photon) and source type (Monochromatic or TOF).
+
+ *NOTE! The computational difference between the sources is only the
+ gravitational contribution due to the mass of the particles.*
+
+3) Change the default values of the instrumental parameters as required. Be
+ careful to note that distances are specified in cm!
+
+4) Enter values for the source wavelength(s), |lambda|\ , and its spread (= FWHM/|lambda|\ ).
+
+ For monochromatic sources, the inputs are just one value. For TOF sources,
+ the minimum and maximum values should be separated by a '-' to specify a
+ range.
+
+ Optionally, the wavelength (BUT NOT of the wavelength spread) can be extended
+ by adding '; nn' where the 'nn' specifies the number of the bins for the
+ numerical integration. The default value is nn = 10. The same number of bins
+ will be used for the corresponding wavelength spread.
+
+5) For TOF, the default wavelength spectrum is flat. A custom spectral
+ distribution file (2-column text: wavelength (|Ang|\) vs Intensity) can also
+ be loaded by selecting *Add new* in the combo box.
+
+6) When ready, click the *Compute* button. Depending on the computation the
+ calculation time will vary.
+
+7) 1D and 2D dQ values will be displayed at the bottom of the panel, and a 2D
+ resolution weight distribution (a 2D elliptical Gaussian function) will also
+ be displayed in the plot panel even if the Q inputs are outside of the
+ detector limit (the red lines indicate the limits of the detector).
+
+ TOF only: green lines indicate the limits of the maximum Q range accessible
+ for the longest wavelength due to the size of the detector.
+
+ Note that the effect from the beam block/stop is ignored, so in the small Q
+ region near the beam block/stop
+
+ [ie., Q < 2. |pi|\ .(beam block diameter) / (sample-to-detector distance) / |lambda|\_min]
+
+ the variance is slightly under estimated.
+
+8) A summary of the calculation is written to the SasView *Console* at the
+ bottom of the main SasView window.
+
+.. image:: resolution_tutor.gif
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Theory
+------
+
+The scattering wave transfer vector is by definition
+
+.. image:: q.gif
+
+In the small-angle limit, the variance of Q is to a first-order
+approximation
+
+.. image:: sigma_q.gif
+
+The geometric and gravitational contributions can then be summarised as
+
+.. image:: sigma_table.gif
+
+Finally, a Gaussian function is used to describe the 2D weighting distribution
+of the uncertainty in Q.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+References
+----------
+
+D.F.R. Mildner and J.M. Carpenter
+*J. Appl. Cryst.* 17 (1984) 249-256
+
+D.F.R. Mildner, J.M. Carpenter and D.L. Worcester
+*J. Appl. Cryst.* 19 (1986) 311-319
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/resolution_tutor.gif b/src/sas/sasgui/perspectives/calculator/media/resolution_tutor.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/sas_calculator_help.rst b/src/sas/sasgui/perspectives/calculator/media/sas_calculator_help.rst
new file mode 100644
index 0000000..8b13304
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/sas_calculator_help.rst
@@ -0,0 +1,158 @@
+.. sas_calculator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. _SANS_Calculator_Tool:
+
+Generic SANS Calculator Tool
+============================
+
+Description
+-----------
+
+This tool attempts to simulate the SANS expected from a specified
+shape/structure or scattering length density profile. The tool can
+handle both nuclear and magnetic contributions to the scattering.
+
+Theory
+------
+
+In general, a particle with a volume *V* can be described by an ensemble
+containing *N* 3-dimensional rectangular pixels where each pixel is much
+smaller than *V*.
+
+Assuming that all the pixel sizes are the same, the elastic scattering
+intensity from the particle is
+
+.. image:: gen_i.gif
+
+Equation 1.
+
+where |beta|\ :sub:`j` and *r*\ :sub:`j` are the scattering length density and
+the position of the j'th pixel respectively.
+
+The total volume *V*
+
+.. image:: v_j.gif
+
+for |beta|\ :sub:`j` |noteql|\0 where *v*\ :sub:`j` is the volume of the j'th
+pixel (or the j'th natural atomic volume (= atomic mass / (natural molar
+density * Avogadro number) for the atomic structures).
+
+*V* can be corrected by users. This correction is useful especially for an
+atomic structure (such as taken from a PDB file) to get the right normalization.
+
+*NOTE!* |beta|\ :sub:`j` *displayed in the GUI may be incorrect but this will not
+affect the scattering computation if the correction of the total volume V is made.*
+
+The scattering length density (SLD) of each pixel, where the SLD is uniform, is
+a combination of the nuclear and magnetic SLDs and depends on the spin states
+of the neutrons as follows.
+
+Magnetic Scattering
+^^^^^^^^^^^^^^^^^^^
+
+For magnetic scattering, only the magnetization component, *M*\ :sub:`perp`\ ,
+perpendicular to the scattering vector *Q* contributes to the magnetic
+scattering length.
+
+.. image:: mag_vector.bmp
+
+The magnetic scattering length density is then
+
+.. image:: dm_eq.gif
+
+where the gyromagnetic ratio |gamma| = -1.913, |mu|\ :sub:`B` is the Bohr
+magneton, *r*\ :sub:`0` is the classical radius of electron, and |sigma| is the
+Pauli spin.
+
+For a polarized neutron, the magnetic scattering is depending on the spin states.
+
+Let us consider that the incident neutrons are polarised both parallel (+) and
+anti-parallel (-) to the x' axis (see below). The possible states after
+scattering from the sample are then
+
+* Non-spin flips: (+ +) and (- -)
+* Spin flips: (+ -) and (- +)
+
+.. image:: gen_mag_pic.bmp
+
+Now let us assume that the angles of the *Q* vector and the spin-axis (x')
+to the x-axis are |phi| and |theta|\ :sub:`up` respectively (see above). Then,
+depending upon the polarization (spin) state of neutrons, the scattering
+length densities, including the nuclear scattering length density (|beta|\ :sub:`N`\ )
+are given as
+
+* for non-spin-flips
+
+ .. image:: sld1.gif
+
+* for spin-flips
+
+ .. image:: sld2.gif
+
+where
+
+.. image:: mxp.gif
+
+.. image:: myp.gif
+
+.. image:: mzp.gif
+
+.. image:: mqx.gif
+
+.. image:: mqy.gif
+
+Here the *M0*\ :sub:`x`\ , *M0*\ :sub:`y` and *M0*\ :sub:`z` are the x, y and z
+components of the magnetisation vector in the laboratory xyz frame.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+.. image:: gen_gui_help.bmp
+
+After computation the result will appear in the *Theory* box in the SasView
+*Data Explorer* panel.
+
+*Up_frac_in* and *Up_frac_out* are the ratio
+
+ (spin up) / (spin up + spin down)
+
+of neutrons before the sample and at the analyzer, respectively.
+
+*NOTE 1. The values of* Up_frac_in *and* Up_frac_out *must be in the range
+0.0 to 1.0. Both values are 0.5 for unpolarized neutrons.*
+
+*NOTE 2. This computation is totally based on the pixel (or atomic) data fixed
+in xyz coordinates. No angular orientational averaging is considered.*
+
+*NOTE 3. For the nuclear scattering length density, only the real component
+is taken account.*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using PDB/OMF or SLD files
+--------------------------
+
+The SANS Calculator tool can read some PDB, OMF or SLD files but ignores
+polarized/magnetic scattering when doing so, thus related parameters such as
+*Up_frac_in*, etc, will be ignored.
+
+The calculation for fixed orientation uses Equation 1 above resulting in a 2D
+output, whereas the scattering calculation averaged over all the orientations
+uses the Debye equation below providing a 1D output
+
+.. image:: gen_debye_eq.gif
+
+where *v*\ :sub:`j` |beta|\ :sub:`j` |equiv| *b*\ :sub:`j` is the scattering
+length of the j'th atom. The calculation output is passed to the *Data Explorer*
+for further use.
+
+.. image:: pdb_combo.jpg
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/sigma_q.gif b/src/sas/sasgui/perspectives/calculator/media/sigma_q.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/sigma_table.gif b/src/sas/sasgui/perspectives/calculator/media/sigma_table.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/sld1.gif b/src/sas/sasgui/perspectives/calculator/media/sld1.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/sld2.gif b/src/sas/sasgui/perspectives/calculator/media/sld2.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/media/sld_calculator_help.rst b/src/sas/sasgui/perspectives/calculator/media/sld_calculator_help.rst
new file mode 100644
index 0000000..5a75548
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/sld_calculator_help.rst
@@ -0,0 +1,56 @@
+.. sld_calculator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+SLD Calculator Tool
+===================
+
+Description
+-----------
+
+The neutron scattering length density (SLD) is defined as
+
+ SLD = (b_c1 + b_c2 + ... + b_cn) / Vm
+
+where b_ci is the bound coherent scattering length of ith of n atoms in a molecule
+with the molecular volume Vm
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Specifying the Compound Name
+----------------------------
+
+To calculate scattering length densities enter the empirical formula of a
+compound and its mass density and click "Calculate".
+
+Entering a wavelength value is optional (a default value of 6.0 |Ang| will
+be used).
+
+TIPS!
+
+* Formula strings consist of atoms and the number of them, such as "CaCO3+6H2O".
+
+* Groups can be separated by *'+'* or *space*, so "CaCO3 6H2O" works as well.
+
+* Groups can be defined using parentheses, such as "CaCO3(H2O)6".
+
+* Parentheses can be nested, such as "(CaCO3(H2O)6)1".
+
+* Isotopes are represented by their atomic number in *square brackets*, such
+ as "CaCO[18]3+6H2O", H[1], or H[2].
+
+* Numbers of atoms can be integer or decimal, such as "CaCO3+(3HO0.5)2".
+
+* The SLD of mixtures can be calculated as well. For example, for a 70-30
+ mixture of H2O/D2O write "H14O7+D6O3" or more simply "H7D3O5" (i.e. this says
+ 7 hydrogens, 3 deuteriums, and 5 oxygens) and enter a mass density calculated
+ on the percentages of H2O and D2O.
+
+* Type "C[13]6 H[2]12 O[18]6" for C(13)6H(2)12O(18)6 (6 Carbon-13 atoms, 12
+ deuterium atoms, and 6 Oxygen-18 atoms).
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
+
diff --git a/src/sas/sasgui/perspectives/calculator/media/slit_calculator_help.rst b/src/sas/sasgui/perspectives/calculator/media/slit_calculator_help.rst
new file mode 100644
index 0000000..446e31c
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/media/slit_calculator_help.rst
@@ -0,0 +1,41 @@
+.. slit_calculator_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+
+Slit Size Calculator Tool
+=========================
+
+Description
+-----------
+
+This tool enables X-ray users to calculate the slit size (FWHM/2) for smearing
+based on their half beam profile data.
+
+*NOTE! Whilst it may have some more generic applicability, the calculator has
+only been tested with beam profile data from Anton-Paar SAXSess*\ |TM|\
+*software.*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the tool
+--------------
+
+1) Select *Slit Size Calculator* from the *Tool* menu on the SasView toolbar.
+
+2) Load a beam profile file in the *Data* field using the *Browse* button.
+
+ *NOTE! To see an example of the beam profile file format, visit the file
+ beam profile.DAT in your {installation_directory}/SasView/test folder.*
+
+3) Once a data is loaded, the slit size is automatically computed and displayed
+ in the tool window.
+
+*NOTE! The beam profile file does not carry any information about the units of
+the Q data. This calculator assumes the data has units of 1/\ |Ang|\ . If the
+data is not in these units it must be manually converted beforehand.*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/calculator/media/v_j.gif b/src/sas/sasgui/perspectives/calculator/media/v_j.gif
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diff --git a/src/sas/sasgui/perspectives/calculator/model_editor.py b/src/sas/sasgui/perspectives/calculator/model_editor.py
new file mode 100644
index 0000000..7a06677
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/model_editor.py
@@ -0,0 +1,1600 @@
+'''
+This module provides three model editor classes: the composite model editor,
+the easy editor which provides a simple interface with tooltip help to enter
+the parameters of the model and their default value and a panel to input a
+function of y (usually the intensity). It also provides a drop down of
+standard available math functions. Finally a full python editor panel for
+complete customization is provided.
+
+:TODO the writing of the file and name checking (and maybe some other
+functions?) should be moved to a computational module which could be called
+from a python script. Basically one just needs to pass the name,
+description text and function text (or in the case of the composite editor
+the names of the first and second model and the operator to be used).
+'''
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+import wx
+import sys
+import os
+import math
+import re
+import logging
+from wx.py.editwindow import EditWindow
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+from .pyconsole import show_model_output, check_model
+
+
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+ PNL_WIDTH = 450
+ PNL_HEIGHT = 320
+else:
+ FONT_VARIANT = 1
+ PNL_WIDTH = 590
+ PNL_HEIGHT = 350
+M_NAME = 'Model'
+EDITOR_WIDTH = 800
+EDITOR_HEIGTH = 735
+PANEL_WIDTH = 500
+_BOX_WIDTH = 55
+
+def _delete_file(path):
+ """
+ Delete file in the path
+ """
+ try:
+ os.remove(path)
+ except:
+ raise
+
+
+class TextDialog(wx.Dialog):
+ """
+ Dialog for easy custom composite models. Provides a wx.Dialog panel
+ to choose two existing models (including pre-existing Plugin Models which
+ may themselves be composite models) as well as an operation on those models
+ (add or multiply) the resulting model will add a scale parameter for summed
+ models and a background parameter for a multiplied model.
+
+ The user also gives a brief help for the model in a description box and
+ must provide a unique name which is verified as unique before the new
+ model is saved.
+
+ This Dialog pops up for the user when they press 'Sum|Multi(p1,p2)' under
+ 'Plugin Model Operations' under 'Fitting' menu. This is currently called as
+ a Modal Dialog.
+
+ :TODO the build in compiler currently balks at when it tries to import
+ a model whose name contains spaces or symbols (such as + ... underscore
+ should be fine). Have fixed so the editor cannot save such a file name
+ but if a file is dropped in the plugin directory from outside this class
+ will create a file that cannot be compiled. Should add the check to
+ the write method or to the on_modelx method.
+
+ - PDB:April 5, 2015
+ """
+ def __init__(self, parent=None, base=None, id=None, title='',
+ model_list=[], plugin_dir=None):
+ """
+ This class is run when instatiated. The __init__ initializes and
+ calls the internal methods necessary. On exiting the wx.Dialog
+ window should be destroyed.
+ """
+ wx.Dialog.__init__(self, parent=parent, id=id,
+ title=title, size=(PNL_WIDTH, PNL_HEIGHT))
+ self.parent = base
+ #Font
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # default
+ self.overwrite_name = False
+ self.plugin_dir = plugin_dir
+ self.model_list = model_list
+ self.model1_string = "sphere"
+ self.model2_string = "cylinder"
+ self.name = 'Sum' + M_NAME
+ self.factor = 'scale_factor'
+ self._notes = ''
+ self._operator = '+'
+ self._operator_choice = None
+ self.explanation = ''
+ self.explanationctr = None
+ self.type = None
+ self.name_sizer = None
+ self.name_tcl = None
+ self.desc_sizer = None
+ self.desc_tcl = None
+ self._selection_box = None
+ self.model1 = None
+ self.model2 = None
+ self.static_line_1 = None
+ self.ok_button = None
+ self.close_button = None
+ self._msg_box = None
+ self.msg_sizer = None
+ self.fname = None
+ self.cm_list = None
+ self.is_p1_custom = False
+ self.is_p2_custom = False
+ self._build_sizer()
+ self.model1_name = str(self.model1.GetValue())
+ self.model2_name = str(self.model2.GetValue())
+ self.good_name = True
+ self.fill_oprator_combox()
+
+ def _layout_name(self):
+ """
+ Do the layout for file/function name related widgets
+ """
+ #container for new model name input
+ self.name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ #set up label and input box with tool tip and event handling
+ name_txt = wx.StaticText(self, -1, 'Function Name : ')
+ self.name_tcl = wx.TextCtrl(self, -1, value='MySumFunction')
+ self.name_tcl.Bind(wx.EVT_TEXT_ENTER, self.on_change_name)
+ hint_name = "Unique Sum/Multiply Model Function Name."
+ self.name_tcl.SetToolTipString(hint_name)
+
+ self.name_sizer.AddMany([(name_txt, 0, wx.LEFT | wx.TOP, 10),
+ (self.name_tcl, -1,
+ wx.EXPAND | wx.RIGHT | wx.TOP | wx.BOTTOM,
+ 10)])
+
+
+ def _layout_description(self):
+ """
+ Do the layout for description related widgets
+ """
+ #container for new model description input
+ self.desc_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ #set up description label and input box with tool tip and event handling
+ desc_txt = wx.StaticText(self, -1, 'Description (optional) : ')
+ self.desc_tcl = wx.TextCtrl(self, -1)
+ hint_desc = "Write a short description of this model function."
+ self.desc_tcl.SetToolTipString(hint_desc)
+
+ self.desc_sizer.AddMany([(desc_txt, 0, wx.LEFT | wx.TOP, 10),
+ (self.desc_tcl, -1,
+ wx.EXPAND | wx.RIGHT | wx.TOP | wx.BOTTOM,
+ 10)])
+
+
+ def _layout_model_selection(self):
+ """
+ Do the layout for model selection related widgets
+ """
+ box_width = 195 # combobox width
+
+ #First set up main sizer for the selection
+ selection_box_title = wx.StaticBox(self, -1, 'Select',
+ size=(PNL_WIDTH - 30, 70))
+ self._selection_box = wx.StaticBoxSizer(selection_box_title,
+ wx.VERTICAL)
+
+ #Next create the help labels for the model selection
+ select_help_box = wx.BoxSizer(wx.HORIZONTAL)
+ model_string = " Model%s (p%s):"
+ select_help_box.Add(wx.StaticText(self, -1, model_string % (1, 1)),
+ 0, 0)
+ select_help_box.Add((box_width - 25, 10), 0, 0)
+ select_help_box.Add(wx.StaticText(self, -1, model_string % (2, 2)),
+ 0, 0)
+ self._selection_box.Add(select_help_box, 0, 0)
+
+ #Next create the actual selection box with 3 combo boxes
+ selection_box_choose = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.model1 = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.model1, -1, self.on_model1)
+ self.model1.SetMinSize((box_width * 5 / 6, -1))
+ self.model1.SetToolTipString("model1")
+
+ self._operator_choice = wx.ComboBox(self, -1, size=(50, -1),
+ style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self._operator_choice, -1, self.on_select_operator)
+ operation_tip = "Add: +, Multiply: * "
+ self._operator_choice.SetToolTipString(operation_tip)
+
+ self.model2 = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.model2, -1, self.on_model2)
+ self.model2.SetMinSize((box_width * 5 / 6, -1))
+ self.model2.SetToolTipString("model2")
+ self._set_model_list()
+
+ selection_box_choose.Add(self.model1, 0, 0)
+ selection_box_choose.Add((15, 10))
+ selection_box_choose.Add(self._operator_choice, 0, 0)
+ selection_box_choose.Add((15, 10))
+ selection_box_choose.Add(self.model2, 0, 0)
+ # add some space between labels and selection
+ self._selection_box.Add((20, 5), 0, 0)
+ self._selection_box.Add(selection_box_choose, 0, 0)
+
+ def _build_sizer(self):
+ """
+ Build GUI with calls to _layout_name, _layout Description
+ and _layout_model_selection which each build a their portion of the
+ GUI.
+ """
+ mainsizer = wx.BoxSizer(wx.VERTICAL) # create main sizer for dialog
+
+ # build fromm top by calling _layout_name and _layout_description
+ # and adding to main sizer
+ self._layout_name()
+ mainsizer.Add(self.name_sizer, 0, wx.EXPAND)
+ self._layout_description()
+ mainsizer.Add(self.desc_sizer, 0, wx.EXPAND)
+
+ # Add an explanation of dialog (short help)
+ self.explanationctr = wx.StaticText(self, -1, self.explanation)
+ self.fill_explanation_helpstring(self._operator)
+ mainsizer.Add(self.explanationctr, 0, wx.LEFT | wx.EXPAND, 15)
+
+ # Add the selection box stuff with border and labels built
+ # by _layout_model_selection
+ self._layout_model_selection()
+ mainsizer.Add(self._selection_box, 0, wx.LEFT, 15)
+
+ # Add a space and horizontal line before the notification
+ #messages and the buttons at the bottom
+ mainsizer.Add((10, 10))
+ self.static_line_1 = wx.StaticLine(self, -1)
+ mainsizer.Add(self.static_line_1, 0, wx.EXPAND, 10)
+
+ # Add action status notification line (null at startup)
+ self._msg_box = wx.StaticText(self, -1, self._notes)
+ self.msg_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.msg_sizer.Add(self._msg_box, 0, wx.LEFT, 0)
+ mainsizer.Add(self.msg_sizer, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE | wx.BOTTOM, 10)
+
+ # Finally add the buttons (apply and close) on the bottom
+ # Eventually need to add help here
+ self.ok_button = wx.Button(self, wx.ID_OK, 'Apply')
+ _app_tip = "Save the new Model."
+ self.ok_button.SetToolTipString(_app_tip)
+ self.ok_button.Bind(wx.EVT_BUTTON, self.check_name)
+ self.help_button = wx.Button(self, -1, 'HELP')
+ _app_tip = "Help on composite model creation."
+ self.help_button.SetToolTipString(_app_tip)
+ self.help_button.Bind(wx.EVT_BUTTON, self.on_help)
+ self.close_button = wx.Button(self, wx.ID_CANCEL, 'Close')
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_button.AddMany([((20, 20), 1, 0),
+ (self.ok_button, 0, 0),
+ (self.help_button, 0, 0),
+ (self.close_button, 0, wx.LEFT | wx.RIGHT, 10)])
+ mainsizer.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
+
+ self.SetSizer(mainsizer)
+ self.Centre()
+
+ def on_change_name(self, event=None):
+ """
+ Change name
+ """
+ if event is not None:
+ event.Skip()
+ self.name_tcl.SetBackgroundColour('white')
+ self.Refresh()
+
+ def check_name(self, event=None):
+ """
+ Check that proposed new model name is a valid Python module name
+ and that it does not already exist. If not show error message and
+ pink background in text box else call on_apply
+
+ :TODO this should be separated out from the GUI code. For that we
+ need to pass it the name (or if we want to keep the default name
+ option also need to pass the self._operator attribute) We just need
+ the function to return an error code that the name is good or if
+ not why (not a valid name, name exists already). The rest of the
+ error handling should be done in this module. so on_apply would then
+ start by checking the name and then either raise errors or do the
+ deed.
+ """
+ #Get the function/file name
+ mname = M_NAME
+ self.on_change_name(None)
+ title = self.name_tcl.GetValue().lstrip().rstrip()
+ if title == '':
+ text = self._operator
+ if text.count('+') > 0:
+ mname = 'Sum'
+ else:
+ mname = 'Multi'
+ mname += M_NAME
+ title = mname
+ self.name = title
+ t_fname = title + '.py'
+
+ #First check if the name is a valid Python name
+ if re.match('^[A-Za-z0-9_]*$', title):
+ self.good_name = True
+ else:
+ self.good_name = False
+ msg = ("%s is not a valid Python name. Only alphanumeric \n" \
+ "and underscore allowed" % self.name)
+
+ #Now check if the name already exists
+ if not self.overwrite_name and self.good_name:
+ #Create list of existing model names for comparison
+ list_fnames = os.listdir(self.plugin_dir)
+ # fake existing regular model name list
+ m_list = [model + ".py" for model in self.model_list]
+ list_fnames.append(m_list)
+ if t_fname in list_fnames and title != mname:
+ self.good_name = False
+ msg = "Name exists already."
+
+ if self.good_name == False:
+ self.name_tcl.SetBackgroundColour('pink')
+ info = 'Error'
+ wx.MessageBox(msg, info)
+ self._notes = msg
+ color = 'red'
+ self._msg_box.SetLabel(msg)
+ self._msg_box.SetForegroundColour(color)
+ return self.good_name
+ self.fname = os.path.join(self.plugin_dir, t_fname)
+ s_title = title
+ if len(title) > 20:
+ s_title = title[0:19] + '...'
+ self._notes = "Model function (%s) has been set! \n" % str(s_title)
+ self.good_name = True
+ self.on_apply(self.fname)
+ return self.good_name
+
+ def on_apply(self, path):
+ """
+ This method is a misnomer - it is not bound to the apply button
+ event. Instead the apply button event goes to check_name which
+ then calls this method if the name of the new file is acceptable.
+
+ :TODO this should be bound to the apply button. The first line
+ should call the check_name method which itself should be in another
+ module separated from the the GUI modules.
+ """
+ self.name_tcl.SetBackgroundColour('white')
+ try:
+ label = self.get_textnames()
+ fname = path
+ name1 = label[0]
+ name2 = label[1]
+ self.write_string(fname, name1, name2)
+ success = show_model_output(self, fname)
+ if success:
+ self.parent.update_custom_combo()
+ msg = self._notes
+ info = 'Info'
+ color = 'blue'
+ except:
+ msg = "Easy Sum/Multipy Plugin: Error occurred..."
+ info = 'Error'
+ color = 'red'
+ self._msg_box.SetLabel(msg)
+ self._msg_box.SetForegroundColour(color)
+ if self.parent.parent != None:
+ from sas.sasgui.guiframe.events import StatusEvent
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg,
+ info=info))
+
+ def on_help(self, event):
+ """
+ Bring up the Composite Model Editor Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/fitting_help.html"
+ _PageAnchor = "#sum-multi-p1-p2"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, _PageAnchor,
+ "Composite Model Editor Help")
+
+ def _set_model_list(self):
+ """
+ Set the list of models
+ """
+ # list of model names
+ # get regular models
+ main_list = self.model_list
+ # get custom models
+ self.update_cm_list()
+ # add custom models to model list
+ for name in self.cm_list:
+ if name not in main_list:
+ main_list.append(name)
+
+ if len(main_list) > 1:
+ main_list.sort()
+ for idx in range(len(main_list)):
+ self.model1.Append(str(main_list[idx]), idx)
+ self.model2.Append(str(main_list[idx]), idx)
+ self.model1.SetStringSelection(self.model1_string)
+ self.model2.SetStringSelection(self.model2_string)
+
+ def update_cm_list(self):
+ """
+ Update custom model list
+ """
+ cm_list = []
+ al_list = os.listdir(self.plugin_dir)
+ for c_name in al_list:
+ if c_name.split('.')[-1] == 'py' and \
+ c_name.split('.')[0] != '__init__':
+ name = str(c_name.split('.')[0])
+ cm_list.append(name)
+ self.cm_list = cm_list
+
+ def on_model1(self, event):
+ """
+ Set model1
+ """
+ event.Skip()
+ self.update_cm_list()
+ self.model1_name = str(self.model1.GetValue())
+ self.model1_string = self.model1_name
+ if self.model1_name in self.cm_list:
+ self.is_p1_custom = True
+ else:
+ self.is_p1_custom = False
+
+ def on_model2(self, event):
+ """
+ Set model2
+ """
+ event.Skip()
+ self.update_cm_list()
+ self.model2_name = str(self.model2.GetValue())
+ self.model2_string = self.model2_name
+ if self.model2_name in self.cm_list:
+ self.is_p2_custom = True
+ else:
+ self.is_p2_custom = False
+
+ def on_select_operator(self, event=None):
+ """
+ On Select an Operator
+ """
+ # For Mac
+ if event != None:
+ event.Skip()
+ item = event.GetEventObject()
+ text = item.GetValue()
+ self.fill_explanation_helpstring(text)
+
+ def fill_explanation_helpstring(self, operator):
+ """
+ Choose the equation to use depending on whether we now have
+ a sum or multiply model then create the appropriate string
+ """
+
+ name = ''
+
+ if operator == '*':
+ name = 'Multi'
+ factor = 'BackGround'
+ f_oper = '+'
+ else:
+ name = 'Sum'
+ factor = 'scale_factor'
+ f_oper = '*'
+
+ self.factor = factor
+ self._operator = operator
+ self.explanation = " Plugin Model = %s %s (model1 %s model2)\n" % \
+ (self.factor, f_oper, self._operator)
+ self.explanationctr.SetLabel(self.explanation)
+ self.name = name + M_NAME
+
+
+ def fill_oprator_combox(self):
+ """
+ fill the current combobox with the operator
+ """
+ operator_list = ['+', '*']
+ for oper in operator_list:
+ pos = self._operator_choice.Append(str(oper))
+ self._operator_choice.SetClientData(pos, str(oper))
+ self._operator_choice.SetSelection(0)
+
+ def get_textnames(self):
+ """
+ Returns model name string as list
+ """
+ return [self.model1_name, self.model2_name]
+
+ def write_string(self, fname, name1, name2):
+ """
+ Write and Save file
+ """
+ self.fname = fname
+ description = self.desc_tcl.GetValue().lstrip().rstrip()
+ if description == '':
+ description = name1 + self._operator + name2
+ text = self._operator_choice.GetValue()
+ if text.count('+') > 0:
+ factor = 'scale_factor'
+ f_oper = '*'
+ default_val = '1.0'
+ else:
+ factor = 'BackGround'
+ f_oper = '+'
+ default_val = '0.0'
+ path = self.fname
+ try:
+ out_f = open(path, 'w')
+ except:
+ raise
+ lines = SUM_TEMPLATE.split('\n')
+ for line in lines:
+ try:
+ if line.count("scale_factor"):
+ line = line.replace('scale_factor', factor)
+ #print "scale_factor", line
+ if line.count("= %s"):
+ out_f.write(line % (default_val) + "\n")
+ elif line.count("import Model as P1"):
+ if self.is_p1_custom:
+ line = line.replace('#', '')
+ out_f.write(line % name1 + "\n")
+ else:
+ out_f.write(line + "\n")
+ elif line.count("import %s as P1"):
+ if not self.is_p1_custom:
+ line = line.replace('#', '')
+ out_f.write(line % (name1) + "\n")
+ else:
+ out_f.write(line + "\n")
+ elif line.count("import Model as P2"):
+ if self.is_p2_custom:
+ line = line.replace('#', '')
+ out_f.write(line % name2 + "\n")
+ else:
+ out_f.write(line + "\n")
+ elif line.count("import %s as P2"):
+ if not self.is_p2_custom:
+ line = line.replace('#', '')
+ out_f.write(line % (name2) + "\n")
+ else:
+ out_f.write(line + "\n")
+ elif line.count("P1 = find_model"):
+ out_f.write(line % (name1) + "\n")
+ elif line.count("P2 = find_model"):
+ out_f.write(line % (name2) + "\n")
+
+ elif line.count("self.description = '%s'"):
+ out_f.write(line % description + "\n")
+ #elif line.count("run") and line.count("%s"):
+ # out_f.write(line % self._operator + "\n")
+ #elif line.count("evalDistribution") and line.count("%s"):
+ # out_f.write(line % self._operator + "\n")
+ elif line.count("return") and line.count("%s") == 2:
+ #print "line return", line
+ out_f.write(line % (f_oper, self._operator) + "\n")
+ elif line.count("out2")and line.count("%s"):
+ out_f.write(line % self._operator + "\n")
+ else:
+ out_f.write(line + "\n")
+ except:
+ raise
+ out_f.close()
+ #else:
+ # msg = "Name exists already."
+
+ def compile_file(self, path):
+ """
+ Compile the file in the path
+ """
+ path = self.fname
+ show_model_output(self, path)
+
+ def delete_file(self, path):
+ """
+ Delete file in the path
+ """
+ _delete_file(path)
+
+
+class EditorPanel(wx.ScrolledWindow):
+ """
+ Simple Plugin Model function editor
+ """
+ def __init__(self, parent, base, path, title, *args, **kwds):
+ kwds['name'] = title
+# kwds["size"] = (EDITOR_WIDTH, EDITOR_HEIGTH)
+ kwds["style"] = wx.FULL_REPAINT_ON_RESIZE
+ wx.ScrolledWindow.__init__(self, parent, *args, **kwds)
+ self.SetScrollbars(1,1,1,1)
+ self.parent = parent
+ self.base = base
+ self.path = path
+ self.font = wx.SystemSettings_GetFont(wx.SYS_SYSTEM_FONT)
+ self.font.SetPointSize(10)
+ self.reader = None
+ self.name = 'untitled'
+ self.overwrite_name = False
+ self.is_2d = False
+ self.fname = None
+ self.main_sizer = None
+ self.name_sizer = None
+ self.name_hsizer = None
+ self.name_tcl = None
+ self.desc_sizer = None
+ self.desc_tcl = None
+ self.param_sizer = None
+ self.param_tcl = None
+ self.function_sizer = None
+ self.func_horizon_sizer = None
+ self.button_sizer = None
+ self.param_strings = ''
+ self.function_strings = ''
+ self._notes = ""
+ self._msg_box = None
+ self.msg_sizer = None
+ self.warning = ""
+ #This does not seem to be used anywhere so commenting out for now
+ # -- PDB 2/26/17
+ #self._description = "New Plugin Model"
+ self.function_tcl = None
+ self.math_combo = None
+ self.bt_apply = None
+ self.bt_close = None
+ #self._default_save_location = os.getcwd()
+ self._do_layout()
+
+
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ #w, h = self.parent.GetSize()
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.name_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.name_hsizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.desc_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.param_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.function_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.func_horizon_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.msg_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_name(self):
+ """
+ Do the layout for file/function name related widgets
+ """
+ #title name [string]
+ name_txt = wx.StaticText(self, -1, 'Function Name : ')
+ overwrite_cb = wx.CheckBox(self, -1, "Overwrite existing plugin model of this name?", (10, 10))
+ overwrite_cb.SetValue(False)
+ overwrite_cb.SetToolTipString("Overwrite it if already exists?")
+ wx.EVT_CHECKBOX(self, overwrite_cb.GetId(), self.on_over_cb)
+ self.name_tcl = wx.TextCtrl(self, -1, size=(PANEL_WIDTH * 3 / 5, -1))
+ self.name_tcl.Bind(wx.EVT_TEXT_ENTER, self.on_change_name)
+ self.name_tcl.SetValue('')
+ self.name_tcl.SetFont(self.font)
+ hint_name = "Unique Model Function Name."
+ self.name_tcl.SetToolTipString(hint_name)
+ self.name_hsizer.AddMany([(self.name_tcl, 0, wx.LEFT | wx.TOP, 0),
+ (overwrite_cb, 0, wx.LEFT, 20)])
+ self.name_sizer.AddMany([(name_txt, 0, wx.LEFT | wx.TOP, 10),
+ (self.name_hsizer, 0,
+ wx.LEFT | wx.TOP | wx.BOTTOM, 10)])
+
+
+ def _layout_description(self):
+ """
+ Do the layout for description related widgets
+ """
+ #title name [string]
+ desc_txt = wx.StaticText(self, -1, 'Description (optional) : ')
+ self.desc_tcl = wx.TextCtrl(self, -1, size=(PANEL_WIDTH * 3 / 5, -1))
+ self.desc_tcl.SetValue('')
+ hint_desc = "Write a short description of the model function."
+ self.desc_tcl.SetToolTipString(hint_desc)
+ self.desc_sizer.AddMany([(desc_txt, 0, wx.LEFT | wx.TOP, 10),
+ (self.desc_tcl, 0,
+ wx.LEFT | wx.TOP | wx.BOTTOM, 10)])
+ def _layout_param(self):
+ """
+ Do the layout for parameter related widgets
+ """
+ param_txt = wx.StaticText(self, -1, 'Fit Parameters NOT requiring' + \
+ ' polydispersity (if any): ')
+
+ param_tip = "#Set the parameters NOT requiring polydispersity " + \
+ "and their initial values.\n"
+ param_tip += "#Example:\n"
+ param_tip += "A = 1\nB = 1"
+ #param_txt.SetToolTipString(param_tip)
+ newid = wx.NewId()
+ self.param_tcl = EditWindow(self, newid, wx.DefaultPosition,
+ wx.DefaultSize,
+ wx.CLIP_CHILDREN | wx.SUNKEN_BORDER)
+ self.param_tcl.setDisplayLineNumbers(True)
+ self.param_tcl.SetToolTipString(param_tip)
+
+ self.param_sizer.AddMany([(param_txt, 0, wx.LEFT, 10),
+ (self.param_tcl, 1, wx.EXPAND | wx.ALL, 10)])
+
+ # Parameters with polydispersity
+ pd_param_txt = wx.StaticText(self, -1, 'Fit Parameters requiring ' + \
+ 'polydispersity (if any): ')
+
+ pd_param_tip = "#Set the parameters requiring polydispersity and " + \
+ "their initial values.\n"
+ pd_param_tip += "#Example:\n"
+ pd_param_tip += "C = 2\nD = 2"
+ newid = wx.NewId()
+ self.pd_param_tcl = EditWindow(self, newid, wx.DefaultPosition,
+ wx.DefaultSize,
+ wx.CLIP_CHILDREN | wx.SUNKEN_BORDER)
+ self.pd_param_tcl.setDisplayLineNumbers(True)
+ self.pd_param_tcl.SetToolTipString(pd_param_tip)
+
+ self.param_sizer.AddMany([(pd_param_txt, 0, wx.LEFT, 10),
+ (self.pd_param_tcl, 1, wx.EXPAND | wx.ALL, 10)])
+
+ def _layout_function(self):
+ """
+ Do the layout for function related widgets
+ """
+ function_txt = wx.StaticText(self, -1, 'Function(x) : ')
+ hint_function = "#Example:\n"
+ hint_function += "if x <= 0:\n"
+ hint_function += " y = A + B\n"
+ hint_function += "else:\n"
+ hint_function += " y = A + B * cos(2 * pi * x)\n"
+ hint_function += "return y\n"
+ math_txt = wx.StaticText(self, -1, '*Useful math functions: ')
+ math_combo = self._fill_math_combo()
+
+ newid = wx.NewId()
+ self.function_tcl = EditWindow(self, newid, wx.DefaultPosition,
+ wx.DefaultSize,
+ wx.CLIP_CHILDREN | wx.SUNKEN_BORDER)
+ self.function_tcl.setDisplayLineNumbers(True)
+ self.function_tcl.SetToolTipString(hint_function)
+
+ self.func_horizon_sizer.Add(function_txt)
+ self.func_horizon_sizer.Add(math_txt, 0, wx.LEFT, 250)
+ self.func_horizon_sizer.Add(math_combo, 0, wx.LEFT, 10)
+
+ self.function_sizer.Add(self.func_horizon_sizer, 0, wx.LEFT, 10)
+ self.function_sizer.Add(self.function_tcl, 1, wx.EXPAND | wx.ALL, 10)
+
+ def _layout_msg(self):
+ """
+ Layout msg
+ """
+ self._msg_box = wx.StaticText(self, -1, self._notes,
+ size=(PANEL_WIDTH, -1))
+ self.msg_sizer.Add(self._msg_box, 0, wx.LEFT, 10)
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, "Apply", size=(_BOX_WIDTH, -1))
+ self.bt_apply.SetToolTipString("Save changes into the imported data.")
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+
+ self.bt_help = wx.Button(self, -1, "HELP", size=(_BOX_WIDTH, -1))
+ self.bt_help.SetToolTipString("Get Help For Model Editor")
+ self.bt_help.Bind(wx.EVT_BUTTON, self.on_help)
+
+ self.bt_close = wx.Button(self, -1, 'Close', size=(_BOX_WIDTH, -1))
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.bt_close.SetToolTipString("Close this panel.")
+
+ self.button_sizer.AddMany([(self.bt_apply, 0,0),
+ (self.bt_help, 0, wx.LEFT | wx.BOTTOM,15),
+ (self.bt_close, 0, wx.LEFT | wx.RIGHT, 15)])
+
+ def _do_layout(self):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_name()
+ self._layout_description()
+ self._layout_param()
+ self._layout_function()
+ self._layout_msg()
+ self._layout_button()
+ self.main_sizer.AddMany([(self.name_sizer, 0, wx.EXPAND | wx.ALL, 5),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.desc_sizer, 0, wx.EXPAND | wx.ALL, 5),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.param_sizer, 1, wx.EXPAND | wx.ALL, 5),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.function_sizer, 2,
+ wx.EXPAND | wx.ALL, 5),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.msg_sizer, 0, wx.EXPAND | wx.ALL, 5),
+ (self.button_sizer, 0, wx.ALIGN_RIGHT)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def _fill_math_combo(self):
+ """
+ Fill up the math combo box
+ """
+ self.math_combo = wx.ComboBox(self, -1, size=(100, -1),
+ style=wx.CB_READONLY)
+ for item in dir(math):
+ if item.count("_") < 1:
+ try:
+ exec "float(math.%s)" % item
+ self.math_combo.Append(str(item))
+ except:
+ self.math_combo.Append(str(item) + "()")
+ self.math_combo.Bind(wx.EVT_COMBOBOX, self._on_math_select)
+ self.math_combo.SetSelection(0)
+ return self.math_combo
+
+ def _on_math_select(self, event):
+ """
+ On math selection on ComboBox
+ """
+ event.Skip()
+ label = self.math_combo.GetValue()
+ self.function_tcl.SetFocus()
+ # Put the text at the cursor position
+ pos = self.function_tcl.GetCurrentPos()
+ self.function_tcl.InsertText(pos, label)
+ # Put the cursor at appropriate position
+ length = len(label)
+ print length
+ if label[length-1] == ')':
+ length -= 1
+ f_pos = pos + length
+ self.function_tcl.GotoPos(f_pos)
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_name(self, event=None):
+ """
+ Change name
+ """
+ if event is not None:
+ event.Skip()
+ self.name_tcl.SetBackgroundColour('white')
+ self.Refresh()
+
+ def check_name(self):
+ """
+ Check name if exist already
+ """
+ self._notes = ''
+ self.on_change_name(None)
+ plugin_dir = self.path
+ list_fnames = os.listdir(plugin_dir)
+ # function/file name
+ title = self.name_tcl.GetValue().lstrip().rstrip()
+ self.name = title
+ t_fname = title + '.py'
+ if not self.overwrite_name:
+ if t_fname in list_fnames:
+ self.name_tcl.SetBackgroundColour('pink')
+ return False
+ self.fname = os.path.join(plugin_dir, t_fname)
+ s_title = title
+ if len(title) > 20:
+ s_title = title[0:19] + '...'
+ self._notes += "Model function name is set "
+ self._notes += "to %s. \n" % str(s_title)
+ return True
+
+ def on_over_cb(self, event):
+ """
+ Set overwrite name flag on cb event
+ """
+ if event is not None:
+ event.Skip()
+ cb_value = event.GetEventObject()
+ self.overwrite_name = cb_value.GetValue()
+
+ def on_click_apply(self, event):
+ """
+ Changes are saved in data object imported to edit.
+
+ checks firs for valid name, then if it already exists then checks
+ that a function was entered and finally that if entered it contains at
+ least a return statement. If all passes writes file then tries to
+ compile. If compile fails or import module fails or run method fails
+ tries to remove any .py and pyc files that may have been created and
+ sets error message.
+
+ :todo this code still could do with a careful going over to clean
+ up and simplify. the non GUI methods such as this one should be removed
+ to computational code of SasView. Most of those computational methods
+ would be the same for both the simple editors.
+ """
+ #must post event here
+ event.Skip()
+ name = self.name_tcl.GetValue().lstrip().rstrip()
+ info = 'Info'
+ msg = ''
+ result, check_err = '', ''
+ # Sort out the errors if occur
+ # First check for valid python name then if the name already exists
+ if not name or not bool(re.match('^[A-Za-z0-9_]*$', name)):
+ msg = '"%s" '%name
+ msg += "is not a valid model name. Name must not be empty and \n"
+ msg += "may include only alpha numeric or underline characters \n"
+ msg += "and no spaces"
+ elif self.check_name():
+ description = self.desc_tcl.GetValue()
+ param_str = self.param_tcl.GetText()
+ pd_param_str = self.pd_param_tcl.GetText()
+ func_str = self.function_tcl.GetText()
+ # No input for the model function
+ if func_str.lstrip().rstrip():
+ if func_str.count('return') > 0:
+ self.write_file(self.fname, name, description, param_str,
+ pd_param_str, func_str)
+ try:
+ result, msg = check_model(self.fname), None
+ except Exception:
+ import traceback
+ result, msg = None, "error building model"
+ check_err = "\n"+traceback.format_exc(limit=2)
+ else:
+ msg = "Error: The func(x) must 'return' a value at least.\n"
+ msg += "For example: \n\nreturn 2*x"
+ else:
+ msg = 'Error: Function is not defined.'
+ else:
+ msg = "Name exists already."
+
+ # Prepare the messagebox
+ if self.base != None and not msg:
+ self.base.update_custom_combo()
+ # Passed exception in import test as it will fail for sasmodels.sasview_model class
+ # Should add similar test for new style?
+ Model = None
+ try:
+ exec "from %s import Model" % name
+ except:
+ logging.error(sys.exc_value)
+
+ # Prepare the messagebox
+ if msg:
+ info = 'Error'
+ color = 'red'
+ else:
+ self._notes = result
+ msg = "Successful! Please look for %s in Plugin Models."%name
+ msg += " " + self._notes
+ info = 'Info'
+ color = 'blue'
+ self._msg_box.SetLabel(msg)
+ self._msg_box.SetForegroundColour(color)
+ # Send msg to the top window
+ if self.base != None:
+ from sas.sasgui.guiframe.events import StatusEvent
+ wx.PostEvent(self.base.parent,
+ StatusEvent(status=msg+check_err, info=info))
+ self.warning = msg
+
+ def write_file(self, fname, name, desc_str, param_str, pd_param_str, func_str):
+ """
+ Write content in file
+
+ :param fname: full file path
+ :param desc_str: content of the description strings
+ :param param_str: content of params; Strings
+ :param pd_param_str: content of params requiring polydispersity; Strings
+ :param func_str: content of func; Strings
+ """
+ try:
+ out_f = open(fname, 'w')
+ except:
+ raise
+ # Prepare the content of the function
+ lines = CUSTOM_TEMPLATE.split('\n')
+
+ has_scipy = func_str.count("scipy.")
+ if has_scipy:
+ lines.insert(0, 'import scipy')
+
+ # Think about 2D later
+ #self.is_2d = func_str.count("#self.ndim = 2")
+ #line_2d = ''
+ #if self.is_2d:
+ # line_2d = CUSTOM_2D_TEMP.split('\n')
+
+ # Also think about test later
+ #line_test = TEST_TEMPLATE.split('\n')
+ #local_params = ''
+ #spaces = ' '#8spaces
+ spaces4 = ' '*4
+ spaces13 = ' '*13
+ spaces16 = ' '*16
+ param_names = [] # to store parameter names
+ has_scipy = func_str.count("scipy.")
+ if has_scipy:
+ lines.insert(0, 'import scipy')
+
+ # write function here
+ for line in lines:
+ # The location where to put the strings is
+ # hard-coded in the template as shown below.
+ out_f.write(line + '\n')
+ if line.count('#name'):
+ out_f.write('name = "%s" \n' % name)
+ elif line.count('#title'):
+ out_f.write('title = "User model for %s"\n' % name)
+ elif line.count('#description'):
+ out_f.write('description = "%s"\n' % desc_str)
+ elif line.count('#parameters'):
+ out_f.write('parameters = [ \n')
+ for param_line in param_str.split('\n'):
+ p_line = param_line.lstrip().rstrip()
+ if p_line:
+ pname, pvalue = self.get_param_helper(p_line)
+ param_names.append(pname)
+ out_f.write("%s['%s', '', %s, [-numpy.inf, numpy.inf], '', ''],\n" % (spaces16, pname, pvalue))
+ for param_line in pd_param_str.split('\n'):
+ p_line = param_line.lstrip().rstrip()
+ if p_line:
+ pname, pvalue = self.get_param_helper(p_line)
+ param_names.append(pname)
+ out_f.write("%s['%s', '', %s, [-numpy.inf, numpy.inf], 'volume', ''],\n" % (spaces16, pname, pvalue))
+ out_f.write('%s]\n' % spaces13)
+
+ # No form_volume or ER available in simple model editor
+ out_f.write('def form_volume(*arg): \n')
+ out_f.write(' return 1.0 \n')
+ out_f.write('\n')
+ out_f.write('def ER(*arg): \n')
+ out_f.write(' return 1.0 \n')
+
+ # function to compute
+ out_f.write('\n')
+ out_f.write('def Iq(x ')
+ for name in param_names:
+ out_f.write(', %s' % name)
+ out_f.write('):\n')
+ for func_line in func_str.split('\n'):
+ out_f.write('%s%s\n' % (spaces4, func_line))
+
+ Iqxy_string = 'return Iq(numpy.sqrt(x**2+y**2) '
+
+ out_f.write('\n')
+ out_f.write('def Iqxy(x, y ')
+ for name in param_names:
+ out_f.write(', %s' % name)
+ Iqxy_string += ', ' + name
+ out_f.write('):\n')
+ Iqxy_string += ')'
+ out_f.write('%s%s\n' % (spaces4, Iqxy_string))
+
+ out_f.close()
+
+ def get_param_helper(self, line):
+ """
+ Get string in line to define the params dictionary
+
+ :param line: one line of string got from the param_str
+ """
+ items = line.split(";")
+ for item in items:
+ name = item.split("=")[0].lstrip().rstrip()
+ try:
+ value = item.split("=")[1].lstrip().rstrip()
+ float(value)
+ except:
+ value = 1.0 # default
+
+ return name, value
+
+ def set_function_helper(self, line):
+ """
+ Get string in line to define the local params
+
+ :param line: one line of string got from the param_str
+ """
+ params_str = ''
+ spaces = ' '#8spaces
+ items = line.split(";")
+ for item in items:
+ name = item.split("=")[0].lstrip().rstrip()
+ params_str += spaces + "%s = self.params['%s']\n" % (name, name)
+ return params_str
+
+ def get_warning(self):
+ """
+ Get the warning msg
+ """
+ return self.warning
+
+ def on_help(self, event):
+ """
+ Bring up the New Plugin Model Editor Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/fitting_help.html"
+ _PageAnchor = "#new-plugin-model"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, _PageAnchor,
+ "Plugin Model Editor Help")
+
+ def on_close(self, event):
+ """
+ leave data as it is and close
+ """
+ self.parent.Show(False)#Close()
+ event.Skip()
+
+class EditorWindow(wx.Frame):
+ """
+ Editor Window
+ """
+ def __init__(self, parent, base, path, title,
+ size=(EDITOR_WIDTH, EDITOR_HEIGTH), *args, **kwds):
+ """
+ Init
+ """
+ kwds["title"] = title
+ kwds["size"] = size
+ wx.Frame.__init__(self, parent=None, *args, **kwds)
+ self.parent = parent
+ self.panel = EditorPanel(parent=self, base=parent,
+ path=path, title=title)
+ self.Show(True)
+ wx.EVT_CLOSE(self, self.on_close)
+
+ def on_close(self, event):
+ """
+ On close event
+ """
+ self.Show(False)
+ #if self.parent != None:
+ # self.parent.new_model_frame = None
+ #self.Destroy()
+
+## Templates for plugin models
+
+CUSTOM_TEMPLATE = """
+from math import *
+import os
+import sys
+import numpy
+
+#name
+
+#title
+
+#description
+
+#parameters
+
+"""
+
+CUSTOM_2D_TEMP = """
+ def run(self, x=0.0, y=0.0):
+ if x.__class__.__name__ == 'list':
+ x_val = x[0]
+ y_val = y[0]*0.0
+ return self.function(x_val, y_val)
+ elif x.__class__.__name__ == 'tuple':
+ msg = "Tuples are not allowed as input to BaseComponent models"
+ raise ValueError, msg
+ else:
+ return self.function(x, 0.0)
+ def runXY(self, x=0.0, y=0.0):
+ if x.__class__.__name__ == 'list':
+ return self.function(x, y)
+ elif x.__class__.__name__ == 'tuple':
+ msg = "Tuples are not allowed as input to BaseComponent models"
+ raise ValueError, msg
+ else:
+ return self.function(x, y)
+ def evalDistribution(self, qdist):
+ if qdist.__class__.__name__ == 'list':
+ msg = "evalDistribution expects a list of 2 ndarrays"
+ if len(qdist)!=2:
+ raise RuntimeError, msg
+ if qdist[0].__class__.__name__ != 'ndarray':
+ raise RuntimeError, msg
+ if qdist[1].__class__.__name__ != 'ndarray':
+ raise RuntimeError, msg
+ v_model = numpy.vectorize(self.runXY, otypes=[float])
+ iq_array = v_model(qdist[0], qdist[1])
+ return iq_array
+ elif qdist.__class__.__name__ == 'ndarray':
+ v_model = numpy.vectorize(self.runXY, otypes=[float])
+ iq_array = v_model(qdist)
+ return iq_array
+"""
+TEST_TEMPLATE = """
+######################################################################
+## THIS IS FOR TEST. DO NOT MODIFY THE FOLLOWING LINES!!!!!!!!!!!!!!!!
+if __name__ == "__main__":
+ m= Model()
+ out1 = m.runXY(0.0)
+ out2 = m.runXY(0.01)
+ isfine1 = numpy.isfinite(out1)
+ isfine2 = numpy.isfinite(out2)
+ print "Testing the value at Q = 0.0:"
+ print out1, " : finite? ", isfine1
+ print "Testing the value at Q = 0.01:"
+ print out2, " : finite? ", isfine2
+ if isfine1 and isfine2:
+ print "===> Simple Test: Passed!"
+ else:
+ print "===> Simple Test: Failed!"
+"""
+SUM_TEMPLATE = """
+# A sample of an experimental model function for Sum/Multiply(Pmodel1,Pmodel2)
+import os
+import sys
+import copy
+import collections
+
+import numpy
+
+from sas.sascalc.fit.pluginmodel import Model1DPlugin
+from sasmodels.sasview_model import find_model
+
+class Model(Model1DPlugin):
+ name = os.path.splitext(os.path.basename(__file__))[0]
+ is_multiplicity_model = False
+ def __init__(self, multiplicity=1):
+ Model1DPlugin.__init__(self, name='')
+ P1 = find_model('%s')
+ P2 = find_model('%s')
+ p_model1 = P1()
+ p_model2 = P2()
+ ## Setting model name model description
+ self.description = '%s'
+ if self.name.rstrip().lstrip() == '':
+ self.name = self._get_name(p_model1.name, p_model2.name)
+ if self.description.rstrip().lstrip() == '':
+ self.description = p_model1.name
+ self.description += p_model2.name
+ self.fill_description(p_model1, p_model2)
+
+ ## Define parameters
+ self.params = collections.OrderedDict()
+
+ ## Parameter details [units, min, max]
+ self.details = {}
+ ## Magnetic Panrameters
+ self.magnetic_params = []
+ # non-fittable parameters
+ self.non_fittable = p_model1.non_fittable
+ self.non_fittable += p_model2.non_fittable
+
+ ##models
+ self.p_model1= p_model1
+ self.p_model2= p_model2
+
+
+ ## dispersion
+ self._set_dispersion()
+ ## Define parameters
+ self._set_params()
+ ## New parameter:scaling_factor
+ self.params['scale_factor'] = %s
+
+ ## Parameter details [units, min, max]
+ self._set_details()
+ self.details['scale_factor'] = ['', 0.0, numpy.inf]
+
+
+ #list of parameter that can be fitted
+ self._set_fixed_params()
+
+ ## parameters with orientation
+ self.orientation_params = []
+ for item in self.p_model1.orientation_params:
+ new_item = "p1_" + item
+ if not new_item in self.orientation_params:
+ self.orientation_params.append(new_item)
+
+ for item in self.p_model2.orientation_params:
+ new_item = "p2_" + item
+ if not new_item in self.orientation_params:
+ self.orientation_params.append(new_item)
+ ## magnetic params
+ self.magnetic_params = []
+ for item in self.p_model1.magnetic_params:
+ new_item = "p1_" + item
+ if not new_item in self.magnetic_params:
+ self.magnetic_params.append(new_item)
+
+ for item in self.p_model2.magnetic_params:
+ new_item = "p2_" + item
+ if not new_item in self.magnetic_params:
+ self.magnetic_params.append(new_item)
+ # get multiplicity if model provide it, else 1.
+ try:
+ multiplicity1 = p_model1.multiplicity
+ try:
+ multiplicity2 = p_model2.multiplicity
+ except:
+ multiplicity2 = 1
+ except:
+ multiplicity1 = 1
+ multiplicity2 = 1
+ ## functional multiplicity of the model
+ self.multiplicity1 = multiplicity1
+ self.multiplicity2 = multiplicity2
+ self.multiplicity_info = []
+
+ def _clone(self, obj):
+ import copy
+ obj.params = copy.deepcopy(self.params)
+ obj.description = copy.deepcopy(self.description)
+ obj.details = copy.deepcopy(self.details)
+ obj.dispersion = copy.deepcopy(self.dispersion)
+ obj.p_model1 = self.p_model1.clone()
+ obj.p_model2 = self.p_model2.clone()
+ #obj = copy.deepcopy(self)
+ return obj
+
+ def _get_name(self, name1, name2):
+ p1_name = self._get_upper_name(name1)
+ if not p1_name:
+ p1_name = name1
+ name = p1_name
+ name += "_and_"
+ p2_name = self._get_upper_name(name2)
+ if not p2_name:
+ p2_name = name2
+ name += p2_name
+ return name
+
+ def _get_upper_name(self, name=None):
+ if name == None:
+ return ""
+ upper_name = ""
+ str_name = str(name)
+ for index in range(len(str_name)):
+ if str_name[index].isupper():
+ upper_name += str_name[index]
+ return upper_name
+
+ def _set_dispersion(self):
+ self.dispersion = collections.OrderedDict()
+ ##set dispersion only from p_model
+ for name , value in self.p_model1.dispersion.iteritems():
+ #if name.lower() not in self.p_model1.orientation_params:
+ new_name = "p1_" + name
+ self.dispersion[new_name]= value
+ for name , value in self.p_model2.dispersion.iteritems():
+ #if name.lower() not in self.p_model2.orientation_params:
+ new_name = "p2_" + name
+ self.dispersion[new_name]= value
+
+ def function(self, x=0.0):
+ return 0
+
+ def getProfile(self):
+ try:
+ x,y = self.p_model1.getProfile()
+ except:
+ x = None
+ y = None
+
+ return x, y
+
+ def _set_params(self):
+ for name , value in self.p_model1.params.iteritems():
+ # No 2D-supported
+ #if name not in self.p_model1.orientation_params:
+ new_name = "p1_" + name
+ self.params[new_name]= value
+
+ for name , value in self.p_model2.params.iteritems():
+ # No 2D-supported
+ #if name not in self.p_model2.orientation_params:
+ new_name = "p2_" + name
+ self.params[new_name]= value
+
+ # Set "scale" as initializing
+ self._set_scale_factor()
+
+
+ def _set_details(self):
+ for name ,detail in self.p_model1.details.iteritems():
+ new_name = "p1_" + name
+ #if new_name not in self.orientation_params:
+ self.details[new_name]= detail
+
+ for name ,detail in self.p_model2.details.iteritems():
+ new_name = "p2_" + name
+ #if new_name not in self.orientation_params:
+ self.details[new_name]= detail
+
+ def _set_scale_factor(self):
+ pass
+
+
+ def setParam(self, name, value):
+ # set param to this (p1, p2) model
+ self._setParamHelper(name, value)
+
+ ## setParam to p model
+ model_pre = ''
+ new_name = ''
+ name_split = name.split('_', 1)
+ if len(name_split) == 2:
+ model_pre = name.split('_', 1)[0]
+ new_name = name.split('_', 1)[1]
+ if model_pre == "p1":
+ if new_name in self.p_model1.getParamList():
+ self.p_model1.setParam(new_name, value)
+ elif model_pre == "p2":
+ if new_name in self.p_model2.getParamList():
+ self.p_model2.setParam(new_name, value)
+ elif name == 'scale_factor':
+ self.params['scale_factor'] = value
+ else:
+ raise ValueError, "Model does not contain parameter %s" % name
+
+ def getParam(self, name):
+ # Look for dispersion parameters
+ toks = name.split('.')
+ if len(toks)==2:
+ for item in self.dispersion.keys():
+ # 2D not supported
+ if item.lower()==toks[0].lower():
+ for par in self.dispersion[item]:
+ if par.lower() == toks[1].lower():
+ return self.dispersion[item][par]
+ else:
+ # Look for standard parameter
+ for item in self.params.keys():
+ if item.lower()==name.lower():
+ return self.params[item]
+ return
+ #raise ValueError, "Model does not contain parameter %s" % name
+
+ def _setParamHelper(self, name, value):
+ # Look for dispersion parameters
+ toks = name.split('.')
+ if len(toks)== 2:
+ for item in self.dispersion.keys():
+ if item.lower()== toks[0].lower():
+ for par in self.dispersion[item]:
+ if par.lower() == toks[1].lower():
+ self.dispersion[item][par] = value
+ return
+ else:
+ # Look for standard parameter
+ for item in self.params.keys():
+ if item.lower()== name.lower():
+ self.params[item] = value
+ return
+
+ raise ValueError, "Model does not contain parameter %s" % name
+
+
+ def _set_fixed_params(self):
+ self.fixed = []
+ for item in self.p_model1.fixed:
+ new_item = "p1" + item
+ self.fixed.append(new_item)
+ for item in self.p_model2.fixed:
+ new_item = "p2" + item
+ self.fixed.append(new_item)
+
+ self.fixed.sort()
+
+
+ def run(self, x = 0.0):
+ self._set_scale_factor()
+ return self.params['scale_factor'] %s \
+(self.p_model1.run(x) %s self.p_model2.run(x))
+
+ def runXY(self, x = 0.0):
+ self._set_scale_factor()
+ return self.params['scale_factor'] %s \
+(self.p_model1.runXY(x) %s self.p_model2.runXY(x))
+
+ ## Now (May27,10) directly uses the model eval function
+ ## instead of the for-loop in Base Component.
+ def evalDistribution(self, x = []):
+ self._set_scale_factor()
+ return self.params['scale_factor'] %s \
+(self.p_model1.evalDistribution(x) %s \
+self.p_model2.evalDistribution(x))
+
+ def set_dispersion(self, parameter, dispersion):
+ value= None
+ new_pre = parameter.split("_", 1)[0]
+ new_parameter = parameter.split("_", 1)[1]
+ try:
+ if new_pre == 'p1' and \
+new_parameter in self.p_model1.dispersion.keys():
+ value= self.p_model1.set_dispersion(new_parameter, dispersion)
+ if new_pre == 'p2' and \
+new_parameter in self.p_model2.dispersion.keys():
+ value= self.p_model2.set_dispersion(new_parameter, dispersion)
+ self._set_dispersion()
+ return value
+ except:
+ raise
+
+ def fill_description(self, p_model1, p_model2):
+ description = ""
+ description += "This model gives the summation or multiplication of"
+ description += "%s and %s. "% ( p_model1.name, p_model2.name )
+ self.description += description
+
+if __name__ == "__main__":
+ m1= Model()
+ #m1.setParam("p1_scale", 25)
+ #m1.setParam("p1_length", 1000)
+ #m1.setParam("p2_scale", 100)
+ #m1.setParam("p2_rg", 100)
+ out1 = m1.runXY(0.01)
+
+ m2= Model()
+ #m2.p_model1.setParam("scale", 25)
+ #m2.p_model1.setParam("length", 1000)
+ #m2.p_model2.setParam("scale", 100)
+ #m2.p_model2.setParam("rg", 100)
+ out2 = m2.p_model1.runXY(0.01) %s m2.p_model2.runXY(0.01)\n
+ print "My name is %s."% m1.name
+ print out1, " = ", out2
+ if out1 == out2:
+ print "===> Simple Test: Passed!"
+ else:
+ print "===> Simple Test: Failed!"
+"""
+
+if __name__ == "__main__":
+# app = wx.PySimpleApp()
+ main_app = wx.App()
+ main_frame = TextDialog(id=1, model_list=["SphereModel", "CylinderModel"],
+ plugin_dir='../fitting/plugin_models')
+ main_frame.ShowModal()
+ main_app.MainLoop()
+
+#if __name__ == "__main__":
+# from sas.sasgui.perspectives.fitting import models
+# dir_path = models.find_plugins_dir()
+# app = wx.App()
+# window = EditorWindow(parent=None, base=None, path=dir_path, title="Editor")
+# app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/pyconsole.py b/src/sas/sasgui/perspectives/calculator/pyconsole.py
new file mode 100644
index 0000000..fad994c
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/pyconsole.py
@@ -0,0 +1,355 @@
+"""
+Console Module display Python console
+"""
+import sys
+import os
+
+import numpy as np
+
+import wx
+from wx.lib.dialogs import ScrolledMessageDialog
+from wx.lib import layoutf
+
+import wx.py.editor as editor
+
+if sys.platform.count("win32") > 0:
+ PANEL_WIDTH = 800
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 0
+else:
+ PANEL_WIDTH = 830
+ PANEL_HEIGHT = 730
+ FONT_VARIANT = 1
+ID_CHECK_MODEL = wx.NewId()
+ID_RUN = wx.NewId()
+
+def check_model(path):
+ """
+ Check that the model on the path can run.
+ """
+ # try running the model
+ from sasmodels.sasview_model import load_custom_model
+ Model = load_custom_model(path)
+ model = Model()
+ q = np.array([0.01, 0.1])
+ Iq = model.evalDistribution(q)
+ qx, qy = np.array([0.01, 0.01]), np.array([0.1, 0.1])
+ Iqxy = model.evalDistribution([qx, qy])
+
+ result = """
+ Iq(%s) = %s
+ Iqxy(%s, %s) = %s
+ """%(q, Iq, qx, qy, Iqxy)
+
+ return result
+
+def show_model_output(parent, fname):
+ # Make sure we have a python file; not sure why we care though...
+ if not (fname and os.path.exists(fname) and fname.endswith('.py')):
+ mssg = "\n This is not a python file."
+ wx.MessageBox(str(mssg), 'Error', style=wx.ICON_ERROR)
+ return False
+
+ try:
+ result, errmsg = check_model(fname), None
+ except Exception:
+ import traceback
+ result, errmsg = None, traceback.format_exc()
+
+ parts = ["Running model '%s'..." % os.path.basename(fname)]
+ if errmsg is not None:
+ parts.extend(["", "Error occurred:", errmsg, ""])
+ title, icon = "Error", wx.ICON_ERROR
+ else:
+ parts.extend(["", "Success:", result, ""])
+ title, icon = "Info", wx.ICON_INFORMATION
+ text = "\n".join(parts)
+ dlg = ResizableScrolledMessageDialog(parent, text, title, size=((550, 250)))
+ fnt = wx.Font(10, wx.TELETYPE, wx.NORMAL, wx.NORMAL)
+ dlg.GetChildren()[0].SetFont(fnt)
+ dlg.GetChildren()[0].SetInsertionPoint(0)
+ dlg.ShowModal()
+ dlg.Destroy()
+ return errmsg is None
+
+class ResizableScrolledMessageDialog(wx.Dialog):
+ """
+ Custom version of wx ScrolledMessageDialog, allowing border resize
+ """
+ def __init__(self, parent, msg, caption,
+ pos=wx.DefaultPosition, size=(500,300),
+ style=wx.DEFAULT_DIALOG_STYLE | wx.RESIZE_BORDER ):
+ # Notice, that style can be overrriden in the caller.
+ wx.Dialog.__init__(self, parent, -1, caption, pos, size, style)
+ x, y = pos
+ if x == -1 and y == -1:
+ self.CenterOnScreen(wx.BOTH)
+
+ text = wx.TextCtrl(self, -1, msg, style=wx.TE_MULTILINE | wx.TE_READONLY)
+ ok = wx.Button(self, wx.ID_OK, "OK")
+
+ # Mysterious constraint layouts from
+ # https://www.wxpython.org/docs/api/wx.lib.layoutf.Layoutf-class.html
+ lc = layoutf.Layoutf('t=t5#1;b=t5#2;l=l5#1;r=r5#1', (self,ok))
+ text.SetConstraints(lc)
+ lc = layoutf.Layoutf('b=b5#1;x%w50#1;w!80;h!25', (self,))
+ ok.SetConstraints(lc)
+
+ self.SetAutoLayout(1)
+ self.Layout()
+
+class PyConsole(editor.EditorNotebookFrame):
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Custom Model Editor"
+ ## Name to appear on the window title bar
+ window_caption = "Plugin Model Editor"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = False
+ def __init__(self, parent=None, base=None, manager=None, panel=None,
+ title='Python Shell/Editor', filename=None,
+ size=(PANEL_WIDTH, PANEL_HEIGHT)):
+ self.config = None
+
+ editor.EditorNotebookFrame.__init__(self, parent=parent,
+ title=title, size=size)
+ self.parent = parent
+ self._manager = manager
+ self.base = base
+ self.panel = panel
+ self._add_menu()
+ if filename != None:
+ dataDir = os.path.dirname(filename)
+ elif self.parent != None:
+ dataDir = self.parent._default_save_location
+ else:
+ dataDir = None
+ self.dataDir = dataDir
+ self.Centre()
+
+ # See if there is a corresponding C file
+ if filename != None:
+ c_filename = os.path.splitext(filename)[0] + ".c"
+ if os.path.isfile(c_filename):
+ self.bufferCreate(c_filename)
+
+ # If not, just open the requested .py, if any.
+ # Needs to be after the C file so the tab focus is correct.
+ if os.path.isfile(filename):
+ self.bufferCreate(filename)
+
+ self.Bind(wx.EVT_MENU, self.OnNewFile, id=wx.ID_NEW)
+ self.Bind(wx.EVT_MENU, self.OnOpenFile, id=wx.ID_OPEN)
+ self.Bind(wx.EVT_MENU, self.OnSaveFile, id=wx.ID_SAVE)
+ self.Bind(wx.EVT_MENU, self.OnSaveAsFile, id=wx.ID_SAVEAS)
+ self.Bind(wx.EVT_MENU, self.OnCheckModel, id=ID_CHECK_MODEL)
+ self.Bind(wx.EVT_MENU, self.OnRun, id=ID_RUN)
+ self.Bind(wx.EVT_UPDATE_UI, self.OnUpdateCompileMenu, id=ID_CHECK_MODEL)
+ self.Bind(wx.EVT_UPDATE_UI, self.OnUpdateCompileMenu, id=ID_RUN)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+ if not title.count('Python Shell'):
+ # Delete menu item (open and new) if not python shell
+ #self.fileMenu.Delete(wx.ID_NEW)
+ self.fileMenu.Delete(wx.ID_OPEN)
+
+
+ def _add_menu(self):
+ """
+ Add menu
+ """
+ self.compileMenu = wx.Menu()
+ self.compileMenu.Append(ID_CHECK_MODEL, 'Check model',
+ 'Loading and run the model')
+ self.compileMenu.AppendSeparator()
+ self.compileMenu.Append(ID_RUN, 'Run in Shell',
+ 'Run the file in the Python Shell')
+ self.MenuBar.Insert(3, self.compileMenu, '&Run')
+
+ def OnHelp(self, event):
+ """
+ Show a help dialog.
+ """
+ import wx.lib.dialogs
+ title = 'Help on key bindings'
+ text = wx.py.shell.HELP_TEXT
+ dlg = wx.lib.dialogs.ScrolledMessageDialog(self, text, title,
+ size=((700, 540)))
+ fnt = wx.Font(10, wx.TELETYPE, wx.NORMAL, wx.NORMAL)
+ dlg.GetChildren()[0].SetFont(fnt)
+ dlg.GetChildren()[0].SetInsertionPoint(0)
+ dlg.ShowModal()
+ dlg.Destroy()
+
+ def set_manager(self, manager):
+ """
+ Set the manager of this window
+ """
+ self._manager = manager
+
+ def OnAbout(self, event):
+ """
+ On About
+ """
+ message = ABOUT
+ dial = wx.MessageDialog(self, message, 'About',
+ wx.OK | wx.ICON_INFORMATION)
+ dial.ShowModal()
+
+ def OnNewFile(self, event):
+ """
+ OnFileOpen
+ """
+ self.OnFileNew(event)
+
+ def OnOpenFile(self, event):
+ """
+ OnFileOpen
+ """
+ self.OnFileOpen(event)
+ self.Show(False)
+ self.Show(True)
+
+ def OnSaveFile(self, event):
+ """
+ OnFileSave overwrite
+ """
+ self.OnFileSave(event)
+ self.Show(False)
+ self.Show(True)
+
+ def OnSaveAsFile(self, event):
+ """
+ OnFileSaveAs overwrite
+ """
+ self.OnFileSaveAs(event)
+ self.Show(False)
+ self.Show(True)
+
+ def bufferOpen(self):
+ """
+ Open file in buffer, bypassing editor bufferOpen
+ """
+ if self.bufferHasChanged():
+ cancel = self.bufferSuggestSave()
+ if cancel:
+ return cancel
+ filedir = ''
+ if self.buffer and self.buffer.doc.filedir:
+ filedir = self.buffer.doc.filedir
+ if not filedir:
+ filedir = self.dataDir
+ result = editor.openSingle(directory=filedir,
+ wildcard='Python Files (*.py)|*.py')
+ if result.path:
+ self.bufferCreate(result.path)
+
+ # See if there is a corresponding C file
+ if result.path != None:
+ c_filename = os.path.splitext(result.path)[0] + ".c"
+ if os.path.isfile(c_filename):
+ self.bufferCreate(c_filename)
+
+ cancel = False
+ return cancel
+
+ def bufferSaveAs(self):
+ """
+ Save buffer to a new filename: Bypassing editor bufferSaveAs
+ """
+ filedir = ''
+ if self.buffer and self.buffer.doc.filedir:
+ filedir = self.buffer.doc.filedir
+ if not filedir:
+ filedir = self.dataDir
+ result = editor.saveSingle(directory=filedir,
+ filename='untitled.py',
+ wildcard='Python Files (*.py)|*.py')
+ if result.path:
+ self.buffer.confirmed = True
+ self.buffer.saveAs(result.path)
+ cancel = False
+ else:
+ cancel = True
+ return cancel
+
+ def OnRun(self, event):
+ """
+ Run
+ """
+ if not self._check_saved():
+ return True
+ if self.buffer and self.buffer.doc.filepath:
+ self.editor.setFocus()
+ # Why we have to do this (Otherwise problems on Windows)?
+ forward_path = self.buffer.doc.filepath.replace('\\', '/')
+ self.shell.Execute("execfile('%s')" % forward_path)
+ self.shell.Hide()
+ self.shell.Show(True)
+ return self.shell.GetText().split(">>>")[-2]
+ else:
+ mssg = "\n This is not a python file."
+ title = 'Error'
+ icon = wx.ICON_ERROR
+ wx.MessageBox(str(mssg), title, style=icon)
+ return False
+
+ def OnCheckModel(self, event):
+ """
+ Compile
+ """
+ if not self._check_saved():
+ return True
+ fname = self.editor.getStatus()[0]
+ success = show_model_output(self, fname)
+
+ # Update plugin model list in fitpage combobox
+ if success and self._manager != None and self.panel != None:
+ self._manager.set_edit_menu_helper(self.parent)
+ wx.CallAfter(self._manager.update_custom_combo)
+
+ def _check_saved(self):
+ """
+ If content was changed, suggest to save it first
+ """
+ if self.bufferHasChanged() and self.buffer.doc.filepath:
+ cancel = self.bufferSuggestSave()
+ return not cancel
+ return True
+
+ def OnUpdateCompileMenu(self, event):
+ """
+ Update Compile menu items based on current tap.
+ """
+ win = wx.Window.FindFocus()
+ id = event.GetId()
+ event.Enable(True)
+ try:
+ if id == ID_CHECK_MODEL or id == ID_RUN:
+ menu_on = False
+ if self.buffer and self.buffer.doc.filepath:
+ menu_on = True
+ event.Enable(menu_on)
+ except AttributeError:
+ # This menu option is not supported in the current context.
+ event.Enable(False)
+
+ def on_close(self, event):
+ """
+ Close event
+ """
+ if self.base != None:
+ self.base.py_frame = None
+ self.Destroy()
+
+ABOUT = "Welcome to Python %s! \n\n" % sys.version.split()[0]
+ABOUT += "This uses Py Shell/Editor in wx (developed by Patrick K. O'Brien).\n"
+ABOUT += "If this is your first time using Python, \n"
+ABOUT += "you should definitely check out the tutorial "
+ABOUT += "on the Internet at http://www.python.org/doc/tut/."
+
+
+if __name__ == "__main__":
+
+ app = wx.App()
+ dlg = PyConsole()
+ dlg.Show()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/resolcal_thread.py b/src/sas/sasgui/perspectives/calculator/resolcal_thread.py
new file mode 100644
index 0000000..49bea72
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/resolcal_thread.py
@@ -0,0 +1,54 @@
+"""
+Thread for Resolution computation
+"""
+import time
+from sas.sascalc.data_util.calcthread import CalcThread
+
+class CalcRes(CalcThread):
+ """
+ Compute Resolution
+ """
+ def __init__(self,
+ id= -1,
+ func=None,
+ qx=None,
+ qy=None,
+ qx_min=None,
+ qx_max=None,
+ qy_min=None,
+ qy_max=None,
+ image=None,
+ completefn=None,
+ updatefn=None,
+ elapsed=0,
+ yieldtime=0.01,
+ worktime=0.01
+ ):
+ """
+ """
+ CalcThread.__init__(self, completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.starttime = 0
+ self.id = id
+ self.func = func
+ self.qx = qx
+ self.qy = qy
+ self.qx_min = qx_min
+ self.qx_max = qx_max
+ self.qy_min = qy_min
+ self.qy_max = qy_max
+ self.image = image
+
+ def compute(self):
+ """
+ excuting computation
+ """
+ self.image = map(self.func, self.qx, self.qy,
+ self.qx_min, self.qx_max,
+ self.qy_min, self.qy_max)[0]
+ elapsed = time.time() - self.starttime
+
+ self.complete(image=self.image,
+ elapsed=elapsed)
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/calculator/resolution_calculator_panel.py b/src/sas/sasgui/perspectives/calculator/resolution_calculator_panel.py
new file mode 100644
index 0000000..c149c4c
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/resolution_calculator_panel.py
@@ -0,0 +1,1358 @@
+# pylint: disable=attribute-defined-outside-init
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2008, 2009, 2010 University of Tennessee
+"""
+import wx
+import sys
+import os
+import matplotlib
+import math
+import logging
+#Use the WxAgg back end. The Wx one takes too long to render
+matplotlib.use('WXAgg')
+from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as FigureCanvas
+from matplotlib.backends.backend_wxagg import NavigationToolbar2Wx as Toolbar
+from matplotlib.backend_bases import FigureManagerBase
+# Wx-Pylab magic for displaying plots within an application's window.
+from matplotlib import _pylab_helpers
+# The Figure object is used to create backend-independent plot representations.
+from matplotlib.figure import Figure
+
+#from sas.guicomm.events import StatusEvent
+from sas.sascalc.calculator.resolution_calculator import ResolutionCalculator
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.perspectives.calculator.calculator_widgets import OutputTextCtrl
+from sas.sasgui.perspectives.calculator.calculator_widgets import InputTextCtrl
+from wx.lib.scrolledpanel import ScrolledPanel
+from math import fabs
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+_BOX_WIDTH = 100
+_Q_DEFAULT = 0.0
+#Slit length panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ PANEL_WIDTH = 525
+ PANEL_HEIGHT = 653
+ FONT_VARIANT = 0
+ IS_WIN = True
+else:
+ PANEL_TOP = 60
+ PANEL_WIDTH = 540
+ PANEL_HEIGHT = 662
+ FONT_VARIANT = 1
+ IS_WIN = False
+
+_SOURCE_MASS = {'Alpha':6.64465620E-24,
+ 'Deuteron':3.34358320E-24,
+ 'Neutron':1.67492729E-24,
+ 'Photon': 0.0,
+ 'Proton':1.67262137E-24,
+ 'Triton':5.00826667E-24}
+
+class ResolutionCalculatorPanel(ScrolledPanel):
+ """
+ Provides the Resolution calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Q Resolution Estimator"
+ ## Name to appear on the window title bar
+ window_caption = ""
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+ def __init__(self, parent, *args, **kwds):
+ kwds["size"] = (PANEL_WIDTH * 2, PANEL_HEIGHT)
+ kwds["style"] = wx.FULL_REPAINT_ON_RESIZE
+ ScrolledPanel.__init__(self, parent, *args, **kwds)
+ self.SetupScrolling()
+ self.parent = parent
+
+ # input defaults
+ self.qx = []
+ self.qy = []
+ # dQ defaults
+ self.sigma_r = None
+ self.sigma_phi = None
+ self.sigma_1d = None
+ # monchromatic or polychromatic
+ self.wave_color = 'mono'
+ self.num_wave = 10
+ self.spectrum_dic = {}
+ # dQ 2d image
+ self.image = None
+ # results of sigmas
+ self.sigma_strings = ' '
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # Object that receive status event
+ self.resolution = ResolutionCalculator()
+ # Source selection dic
+ self.source_mass = _SOURCE_MASS
+ #layout attribute
+ self.hint_sizer = None
+ # detector coordinate of estimation of sigmas
+ self.det_coordinate = 'cartesian'
+ self.source_cb = None
+ self._do_layout()
+
+ def _define_structure(self):
+ """
+ Define the main sizers building to build this application.
+ """
+ self.main_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.vertical_l_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.vertical_r_spacer = wx.BoxSizer(wx.VERTICAL)
+ self.vertical_r_frame = wx.StaticBox(self, -1, '')
+ self.vertical_r_sizer = wx.StaticBoxSizer(self.vertical_r_frame,
+ wx.VERTICAL)
+ self.box_source = wx.StaticBox(self, -1, str(self.window_caption))
+ self.boxsizer_source = wx.StaticBoxSizer(self.box_source, wx.VERTICAL)
+ self.mass_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.intensity_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.wavelength_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.wavelength_spread_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.source_aperture_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.sample_aperture_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.source2sample_distance_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.sample2sample_distance_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.sample2detector_distance_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.detector_size_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.detector_pix_size_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.input_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.output_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_mass(self):
+ """
+ Fill the sizer containing mass
+ """
+ # get the mass
+ mass_value = str(self.resolution.mass)
+ self.mass_txt = wx.StaticText(self, -1, 'Source: ')
+ self.mass_hint = "Mass of Neutrons m = %s [g]" % str(self.resolution.mass)
+ self.source_cb = wx.ComboBox(self, -1,
+ style=wx.CB_READONLY,
+ name='%s' % mass_value)
+ # Sort source name because wx2.9 on Mac does not support CB_SORT
+ # Custom sorting
+ source_list = []
+ for key, _ in self.source_mass.iteritems():
+ name_source = str(key)
+ source_list.append(name_source)
+ source_list.sort()
+ for idx in range(len(source_list)):
+ self.source_cb.Append(source_list[idx], idx)
+ self.source_cb.SetStringSelection("Neutron")
+ wx.EVT_COMBOBOX(self.source_cb, -1, self._on_source_selection)
+
+ # combo box for color
+ self.wave_color_cb = wx.ComboBox(self, -1,
+ style=wx.CB_READONLY,
+ name='color')
+ # two choices
+ self.wave_color_cb.Append('Monochromatic')
+ self.wave_color_cb.Append('TOF')
+ self.wave_color_cb.SetStringSelection("Monochromatic")
+ wx.EVT_COMBOBOX(self.wave_color_cb, -1, self._on_source_color)
+
+ source_hint = "Source Selection: Affect on"
+ source_hint += " the gravitational contribution.\n"
+ source_hint += "Mass of %s: m = %s [g]" % \
+ ('Neutron', str(self.resolution.mass))
+ self.mass_txt.SetToolTipString(source_hint)
+ self.mass_sizer.AddMany([(self.mass_txt, 0, wx.LEFT, 15),
+ (self.source_cb, 0, wx.LEFT, 15),
+ (self.wave_color_cb, 0, wx.LEFT, 15)])
+
+ def _layout_intensity(self):
+ """
+ Fill the sizer containing intensity
+ """
+ # get the intensity
+ intensity_value = str(self.resolution.intensity)
+ intensity_unit_txt = wx.StaticText(self, -1, '[counts/s]')
+ intensity_txt = wx.StaticText(self, -1, 'Intensity: ')
+ self.intensity_tcl = InputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ intensity_hint = "Intensity of Neutrons"
+ self.intensity_tcl.SetValue(intensity_value)
+ self.intensity_tcl.SetToolTipString(intensity_hint)
+ self.intensity_sizer.AddMany([(intensity_txt, 0, wx.LEFT, 15),
+ (self.intensity_tcl, 0, wx.LEFT, 15),
+ (intensity_unit_txt, 0, wx.LEFT, 10)])
+
+
+ def _layout_wavelength(self):
+ """
+ Fill the sizer containing wavelength
+ """
+ # get the wavelength
+ wavelength_value = str(self.resolution.get_wavelength())
+ wavelength_unit_txt = wx.StaticText(self, -1, '[A]')
+ wavelength_txt = wx.StaticText(self, -1, 'Wavelength: ')
+ self.wavelength_tcl = InputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ wavelength_hint = "Wavelength of Neutrons"
+ self.wavelength_tcl.SetValue(wavelength_value)
+ self.wavelength_tcl.SetToolTipString(wavelength_hint)
+
+ # get the spectrum
+ spectrum_value = self.resolution.get_default_spectrum()
+ self.spectrum_dic['Add new'] = ''
+ self.spectrum_dic['Flat'] = spectrum_value
+
+ self.spectrum_txt = wx.StaticText(self, -1, 'Spectrum: ')
+ self.spectrum_cb = wx.ComboBox(self, -1,
+ style=wx.CB_READONLY,
+ size=(_BOX_WIDTH, -1),
+ name='spectrum')
+ self.spectrum_cb.Append('Add new')
+ self.spectrum_cb.Append('Flat')
+ wx.EVT_COMBOBOX(self.spectrum_cb, -1, self._on_spectrum_cb)
+ spectrum_hint = "Wavelength Spectrum: Intensity vs. wavelength"
+ self.spectrum_cb.SetStringSelection('Flat')
+ self.spectrum_cb.SetToolTipString(spectrum_hint)
+ self.wavelength_sizer.AddMany([(wavelength_txt, 0, wx.LEFT, 15),
+ (self.wavelength_tcl, 0, wx.LEFT, 5),
+ (wavelength_unit_txt, 0, wx.LEFT, 5),
+ (self.spectrum_txt, 0, wx.LEFT, 20),
+ (self.spectrum_cb, 0, wx.LEFT, 5)])
+ self.spectrum_txt.Show(False)
+ self.spectrum_cb.Show(False)
+
+ def _layout_wavelength_spread(self):
+ """
+ Fill the sizer containing wavelength
+ """
+ # get the wavelength
+ wavelength_spread_value = str(self.resolution.get_wavelength_spread())
+ wavelength_spread_unit_txt = wx.StaticText(self, -1, '')
+ wavelength_spread_txt = wx.StaticText(self, -1, 'Wavelength Spread: ')
+ self.wavelength_spread_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ wavelength_spread_hint = "Wavelength Spread of Neutrons"
+ self.wavelength_spread_tcl.SetValue(wavelength_spread_value)
+ self.wavelength_spread_tcl.SetToolTipString(wavelength_spread_hint)
+ self.wavelength_spread_sizer.AddMany([(wavelength_spread_txt, 0,
+ wx.LEFT, 15),
+ (self.wavelength_spread_tcl, 0, wx.LEFT, 15),
+ (wavelength_spread_unit_txt, 0, wx.LEFT, 10)])
+
+
+ def _layout_source_aperture(self):
+ """
+ Fill the sizer containing source aperture size
+ """
+ # get the wavelength
+ source_aperture_value = str(self.resolution.source_aperture_size[0])
+ if len(self.resolution.source_aperture_size) > 1:
+ source_aperture_value += ", "
+ source_aperture_value += str(self.resolution.source_aperture_size[1])
+ source_aperture_unit_txt = wx.StaticText(self, -1, '[cm]')
+ source_aperture_txt = wx.StaticText(self, -1, 'Source Aperture Size: ')
+ self.source_aperture_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ source_aperture_hint = "Source Aperture Size"
+ self.source_aperture_tcl.SetValue(source_aperture_value)
+ self.source_aperture_tcl.SetToolTipString(source_aperture_hint)
+ self.source_aperture_sizer.AddMany([(source_aperture_txt, 0, wx.LEFT, 15),
+ (self.source_aperture_tcl, 0, wx.LEFT, 15),
+ (source_aperture_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_sample_aperture(self):
+ """
+ Fill the sizer containing sample aperture size
+ """
+ # get the wavelength
+ sample_aperture_value = str(self.resolution.sample_aperture_size[0])
+ if len(self.resolution.sample_aperture_size) > 1:
+ sample_aperture_value += ", "
+ sample_aperture_value += str(self.resolution.sample_aperture_size[1])
+ sample_aperture_unit_txt = wx.StaticText(self, -1, '[cm]')
+ sample_aperture_txt = wx.StaticText(self, -1, 'Sample Aperture Size: ')
+ self.sample_aperture_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ sample_aperture_hint = "Sample Aperture Size"
+ self.sample_aperture_tcl.SetValue(sample_aperture_value)
+ self.sample_aperture_tcl.SetToolTipString(sample_aperture_hint)
+ self.sample_aperture_sizer.AddMany([(sample_aperture_txt, 0, wx.LEFT, 15),
+ (self.sample_aperture_tcl, 0, wx.LEFT, 15),
+ (sample_aperture_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_source2sample_distance(self):
+ """
+ Fill the sizer containing souce2sample_distance
+ """
+ # get the wavelength
+ source2sample_distance_value = str(self.resolution.source2sample_distance[0])
+
+ source2sample_distance_unit_txt = wx.StaticText(self, -1, '[cm]')
+ source2sample_distance_txt = wx.StaticText(self, -1,
+ 'Source to Sample Aperture Distance: ')
+ self.source2sample_distance_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ source2sample_distance_hint = "Source to Sample Aperture Distance"
+ self.source2sample_distance_tcl.SetValue(source2sample_distance_value)
+ self.source2sample_distance_tcl.SetToolTipString(source2sample_distance_hint)
+ self.source2sample_distance_sizer.AddMany([(source2sample_distance_txt, 0, wx.LEFT, 15),
+ (self.source2sample_distance_tcl, 0, wx.LEFT, 15),
+ (source2sample_distance_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_sample2sample_distance(self):
+ """
+ Fill the sizer containing sampleslit2sample_distance
+ """
+ # get the distance
+ sample2sample_distance_value = str(self.resolution.sample2sample_distance[0])
+
+ sample2sample_distance_unit_txt = wx.StaticText(self, -1, '[cm]')
+ sample2sample_distance_txt = wx.StaticText(self, -1, 'Sample Offset: ')
+ self.sample2sample_distance_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ sample2sample_distance_hint = "Sample Aperture to Sample Distance"
+ self.sample2sample_distance_tcl.SetValue(sample2sample_distance_value)
+ self.sample2sample_distance_tcl.SetToolTipString(sample2sample_distance_hint)
+ self.sample2sample_distance_sizer.AddMany([(sample2sample_distance_txt, 0, wx.LEFT, 15),
+ (self.sample2sample_distance_tcl, 0, wx.LEFT, 15),
+ (sample2sample_distance_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_sample2detector_distance(self):
+ """
+ Fill the sizer containing sample2detector_distance
+ """
+ # get the wavelength
+ sample2detector_distance_value = str(self.resolution.sample2detector_distance[0])
+
+ sample2detector_distance_unit_txt = wx.StaticText(self, -1, '[cm]')
+ sample2detector_distance_txt = wx.StaticText(self, -1,
+ 'Sample Aperture to Detector Distance: ')
+ self.sample2detector_distance_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ sample2detector_distance_hint = "Sample Aperture to Detector Distance"
+ self.sample2detector_distance_tcl.SetValue(sample2detector_distance_value)
+ self.sample2detector_distance_tcl.SetToolTipString(sample2detector_distance_hint)
+ self.sample2detector_distance_sizer.AddMany([\
+ (sample2detector_distance_txt, 0, wx.LEFT, 15),
+ (self.sample2detector_distance_tcl, 0, wx.LEFT, 15),
+ (sample2detector_distance_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_detector_size(self):
+ """
+ Fill the sizer containing detector size
+ """
+ # get the wavelength
+ detector_size_value = str(self.resolution.detector_size[0])
+ if len(self.resolution.detector_size) > 1:
+ detector_size_value += ", "
+ detector_size_value += str(self.resolution.detector_size[1])
+ detector_size_unit_txt = wx.StaticText(self, -1, '')
+ detector_size_txt = wx.StaticText(self, -1, 'Number of Pixels on Detector: ')
+ self.detector_size_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ detector_size_hint = "Number of Pixels on Detector"
+ self.detector_size_tcl.SetValue(detector_size_value)
+ self.detector_size_tcl.SetToolTipString(detector_size_hint)
+ self.detector_size_sizer.AddMany([(detector_size_txt, 0, wx.LEFT, 15),
+ (self.detector_size_tcl, 0, wx.LEFT, 15),
+ (detector_size_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_detector_pix_size(self):
+ """
+ Fill the sizer containing detector pixel size
+ """
+ # get the detector_pix_size
+ detector_pix_size_value = str(self.resolution.detector_pix_size[0])
+ if len(self.resolution.detector_pix_size) > 1:
+ detector_pix_size_value += ", "
+ detector_pix_size_value += str(self.resolution.detector_pix_size[1])
+ detector_pix_size_unit_txt = wx.StaticText(self, -1, '[cm]')
+ detector_pix_size_txt = wx.StaticText(self, -1, 'Detector Pixel Size: ')
+ self.detector_pix_size_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ detector_pix_size_hint = "Detector Pixel Size"
+ self.detector_pix_size_tcl.SetValue(detector_pix_size_value)
+ self.detector_pix_size_tcl.SetToolTipString(detector_pix_size_hint)
+ self.detector_pix_size_sizer.AddMany([(detector_pix_size_txt, 0, wx.LEFT, 15),
+ (self.detector_pix_size_tcl, 0, wx.LEFT, 15),
+ (detector_pix_size_unit_txt, 0, wx.LEFT, 10)])
+
+ def _layout_input(self):
+ """
+ Fill the sizer containing inputs; qx, qy
+ """
+
+ q_title = wx.StaticText(self, -1, "[Q Location of the Estimation]:")
+ # sizers for inputs
+ inputQx_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ inputQy_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ # get the default dq
+ qx_value = str(_Q_DEFAULT)
+ qy_value = str(_Q_DEFAULT)
+ qx_unit_txt = wx.StaticText(self, -1, '[1/A] ')
+ qy_unit_txt = wx.StaticText(self, -1, '[1/A] ')
+ qx_name_txt = wx.StaticText(self, -1, 'Qx: ')
+ qy_name_txt = wx.StaticText(self, -1, 'Qy: ')
+ self.qx_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH * 3, -1))
+ self.qy_tcl = InputTextCtrl(self, -1, size=(_BOX_WIDTH * 3, -1))
+ qx_hint = "Type the Qx value."
+ qy_hint = "Type the Qy value."
+ self.qx_tcl.SetValue(qx_value)
+ self.qy_tcl.SetValue(qy_value)
+ self.qx_tcl.SetToolTipString(qx_hint)
+ self.qy_tcl.SetToolTipString(qy_hint)
+ inputQx_sizer.AddMany([(qx_name_txt, 0, wx.LEFT, 15),
+ (self.qx_tcl, 0, wx.LEFT, 15),
+ (qx_unit_txt, 0, wx.LEFT, 15)])
+ inputQy_sizer.AddMany([(qy_name_txt, 0, wx.LEFT, 15),
+ (self.qy_tcl, 0, wx.LEFT, 15),
+ (qy_unit_txt, 0, wx.LEFT, 15)])
+ self.input_sizer.AddMany([(q_title, 0, wx.LEFT, 15),
+ (inputQx_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (inputQy_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+
+ def _layout_output(self):
+ """
+ Fill the sizer containing dQ|| and dQ+
+ """
+ sigma_title = wx.StaticText(self, -1,
+ "[Standard Deviation of the Resolution Distribution]:")
+ # sizers for inputs
+ outputQxy_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ outputQ_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ sigma_unit = '[' + '1/A' + ']'
+ self.sigma_r_txt = wx.StaticText(self, -1, 'Sigma_x: ')
+ self.sigma_r_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH * 0.8, -1))
+ self.sigma_phi_txt = wx.StaticText(self, -1, 'Sigma_y:')
+ self.sigma_phi_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH * 0.8, -1))
+ self.sigma_lamd_txt = wx.StaticText(self, -1, 'Sigma_lamd:')
+ self.sigma_lamd_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH * 0.7, -1))
+ sigma_1d_txt = wx.StaticText(self, -1, '( 1D: Sigma:')
+ self.sigma_1d_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH * 0.7, -1))
+ sigmax_hint = " The x component of the geometric resolution,"
+ sigmax_hint += " excluding sigma_lamda."
+ sigmay_hint = " The y component of the geometric resolution,"
+ sigmay_hint += " excluding sigma_lamda."
+ sigma_hint_lamd = " The wavelength contribution in the radial direction"
+ sigma_hint_lamd += ".\n Note: The phi component is always zero."
+ sigma_hint_1d = " Resolution in 1-dimension (for 1D data)."
+ self.sigma_r_tcl.SetToolTipString(sigmax_hint)
+ self.sigma_phi_tcl.SetToolTipString(sigmay_hint)
+ self.sigma_lamd_tcl.SetToolTipString(sigma_hint_lamd)
+ self.sigma_1d_tcl.SetToolTipString(sigma_hint_1d)
+ sigma_r_unit_txt = wx.StaticText(self, -1, sigma_unit)
+ sigma_phi_unit_txt = wx.StaticText(self, -1, sigma_unit)
+ sigma_lamd_unit_txt = wx.StaticText(self, -1, sigma_unit)
+ sigma_1d_unit_txt = wx.StaticText(self, -1, sigma_unit + ' )')
+ outputQxy_sizer.AddMany([(self.sigma_r_txt, 0, wx.LEFT, 15),
+ (self.sigma_r_tcl, 0, wx.LEFT, 15),
+ (sigma_r_unit_txt, 0, wx.LEFT, 15),
+ (self.sigma_phi_txt, 0, wx.LEFT, 15),
+ (self.sigma_phi_tcl, 0, wx.LEFT, 15),
+ (sigma_phi_unit_txt, 0, wx.LEFT, 15)])
+ outputQ_sizer.AddMany([(self.sigma_lamd_txt, 0, wx.LEFT, 15),
+ (self.sigma_lamd_tcl, 0, wx.LEFT, 15),
+ (sigma_lamd_unit_txt, 0, wx.LEFT, 15),
+ (sigma_1d_txt, 0, wx.LEFT, 15),
+ (self.sigma_1d_tcl, 0, wx.LEFT, 15),
+ (sigma_1d_unit_txt, 0, wx.LEFT, 15)])
+ self.output_sizer.AddMany([(sigma_title, 0, wx.LEFT, 15),
+ (outputQxy_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (outputQ_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+
+ def _layout_hint(self):
+ """
+ Fill the sizer containing hint
+ """
+ hint_msg = ""
+ #hint_msg += "This tool is to approximately compute "
+ #hint_msg += "the instrumental resolution (dQ)."
+
+ self.hint_txt = wx.StaticText(self, -1, hint_msg)
+ self.hint_sizer.AddMany([(self.hint_txt, 0, wx.LEFT, 15)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+
+ wx_id = wx.NewId()
+ self.reset_button = wx.Button(self, wx_id, "Reset")
+ hint_on_reset = "..."
+ self.reset_button.SetToolTipString(hint_on_reset)
+ self.Bind(wx.EVT_BUTTON, self.on_reset, id=wx_id)
+ #compute button
+ wx_id = wx.NewId()
+ self.compute_button = wx.Button(self, wx_id, "Compute")
+ hint_on_compute = "Compute... Please wait until finished."
+ self.compute_button.SetToolTipString(hint_on_compute)
+ self.Bind(wx.EVT_BUTTON, self.on_compute, id=wx_id)
+ #help button
+ wx_id = wx.NewId()
+ self.help_button = wx.Button(self, wx_id, "HELP")
+ hint_on_help = "Help on using the Resolution Calculator"
+ self.help_button.SetToolTipString(hint_on_help)
+ self.Bind(wx.EVT_BUTTON, self.on_help, id=wx_id)
+ # close button
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.bt_close.SetToolTipString("Close this window.")
+
+ self.button_sizer.Add((110, -1))
+ self.button_sizer.AddMany([(self.reset_button, 0, wx.LEFT, 50),
+ (self.compute_button, 0, wx.LEFT, 15),
+ (self.help_button, 0, wx.LEFT, 15),
+ (self.bt_close, 0, wx.LEFT, 15)])
+ self.compute_button.SetFocus()
+
+ def _layout_image(self):
+ """
+ Layout for image plot
+ """
+ # Contribution by James C.
+ # Instantiate a figure object that will contain our plots.
+ # Make the fig a little smaller than the default
+ self.figure = Figure(figsize=(6.5, 6), facecolor='white')
+
+ # Initialize the figure canvas, mapping the figure object to the plot
+ # engine backend.
+ self.canvas = FigureCanvas(self, wx.ID_ANY, self.figure)
+
+ # Wx-Pylab magic ...
+ # Make our canvas the active figure manager for pylab so that when
+ # pylab plotting statements are executed they will operate on our
+ # canvas and not create a new frame and canvas for display purposes.
+ # This technique allows this application to execute code that uses
+ # pylab stataments to generate plots and embed these plots in our
+ # application window(s).
+ self.fm = FigureManagerBase(self.canvas, 1)
+ _pylab_helpers.Gcf.set_active(self.fm)
+
+ # Instantiate the matplotlib navigation toolbar and explicitly show it.
+ mpl_toolbar = Toolbar(self.canvas)
+ # Diable pan
+ mpl_toolbar.DeleteToolByPos(3)
+
+ # Add a toolbar into the frame
+ mpl_toolbar.Realize()
+
+ # Compute before adding the canvas to the sizer
+ self.on_compute()
+
+ # Fill up the sizer
+ if IS_WIN:
+ gap = 27
+ else:
+ gap = 13
+ self.vertical_r_sizer.Add(self.canvas, 0, wx.ALL | wx.EXPAND, 2)
+ self.vertical_r_spacer.Add((0, gap))
+ self.vertical_r_spacer.Add(self.vertical_r_sizer, 0, wx.ALL | wx.EXPAND, 2)
+ self.vertical_r_spacer.Add((0, gap))
+ self.vertical_r_spacer.Add(wx.StaticLine(self), 0, wx.ALL | wx.EXPAND, 2)
+ self.vertical_r_spacer.Add(mpl_toolbar, 0, wx.ALL | wx.EXPAND, 2)
+
+ def _do_layout(self):
+ """
+ Draw window layout
+ """
+ # Title of parameters
+ instrument_txt = wx.StaticText(self, -1, '[Instrumental Parameters]:')
+ # Build individual layouts
+ self._define_structure()
+ self._layout_mass()
+ self._layout_wavelength()
+ self._layout_wavelength_spread()
+ self._layout_source_aperture()
+ self._layout_sample_aperture()
+ self._layout_source2sample_distance()
+ self._layout_sample2detector_distance()
+ self._layout_sample2sample_distance()
+ self._layout_detector_size()
+ self._layout_detector_pix_size()
+ self._layout_input()
+ self._layout_output()
+ self._layout_hint()
+ self._layout_button()
+ # Fill the sizers
+ self.boxsizer_source.AddMany([(instrument_txt, 0,
+ wx.EXPAND | wx.LEFT, 15),
+ (self.mass_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.wavelength_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.wavelength_spread_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.source_aperture_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.sample_aperture_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.source2sample_distance_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.sample2detector_distance_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.sample2sample_distance_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.detector_size_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.detector_pix_size_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.input_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.output_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.vertical_l_sizer.AddMany([(self.boxsizer_source, 0, wx.ALL, 10),
+ (wx.StaticLine(self), 0,
+ wx.ALL | wx.EXPAND, 5),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.main_sizer.Add(self.vertical_l_sizer, 0, wx.ALL, 10)
+
+ # Build image plot layout
+ self._layout_image()
+ # Add a vertical static line
+ self.main_sizer.Add(wx.StaticLine(self, -1, (2, 2),
+ (2, PANEL_HEIGHT * 0.94), style=wx.LI_VERTICAL))
+ # Add the plot to main sizer
+ self.main_sizer.Add(self.vertical_r_spacer, 0, wx.ALL, 10)
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def on_help(self, event):
+ """
+ Bring up the Resolution calculator Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "resolution_calculator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Resolution Calculator Help")
+
+ def on_close(self, event):
+ """
+ close the window containing this panel
+ """
+ # get ready for other events
+ if event is not None:
+ event.Skip()
+ # Clear the plot
+ if self.image != None:
+ self.image.clf()
+ # reset image
+ self.image = None
+ # Close panel
+ self.parent.OnClose(None)
+
+ def on_compute(self, event=None):
+ """
+ Execute the computation of resolution
+ """
+ wx.CallAfter(self.on_compute_call, event)
+
+ def on_compute_call(self, event=None):
+ """
+ Execute the computation of resolution
+ """
+ # Skip event for next event
+ if event != None:
+ event.Skip()
+ msg = "Please Check your input values "
+ msg += "before starting the computation..."
+
+ # message
+ status_type = 'progress'
+ msg = 'Calculating...'
+ self._status_info(msg, status_type)
+
+ status_type = 'stop'
+ # Q min max list default
+ qx_min = []
+ qx_max = []
+ qy_min = []
+ qy_max = []
+ # possible max qrange
+ self.resolution.qxmin_limit = 0
+ self.resolution.qxmax_limit = 0
+ self.resolution.qymin_limit = 0
+ self.resolution.qymax_limit = 0
+ # q min and max of the detector
+ try:
+ # Get all the values at set to compute
+ # default num bin of wave list
+ self.num_wave = 10
+ wavelength = self._str2longlist(self.wavelength_tcl.GetValue())
+ source = self.source_cb.GetValue()
+ mass = self.source_mass[str(source)]
+ self.resolution.set_neutron_mass(float(mass))
+ wavelength_spread = self._str2longlist(\
+ self.wavelength_spread_tcl.GetValue().split(';')[0])
+ # Validate the wave inputs
+ wave_input = self._validate_q_input(wavelength, wavelength_spread)
+ if wave_input != None:
+ wavelength, wavelength_spread = wave_input
+
+ self.resolution.set_wave(wavelength)
+ self.resolution.set_wave_spread(wavelength_spread)
+ source_aperture_size = self.source_aperture_tcl.GetValue()
+ source_aperture_size = self._string2list(source_aperture_size)
+ self.resolution.set_source_aperture_size(source_aperture_size)
+ sample_aperture_size = self.sample_aperture_tcl.GetValue()
+ sample_aperture_size = self._string2list(sample_aperture_size)
+ self.resolution.set_sample_aperture_size(sample_aperture_size)
+ source2sample_distance = self.source2sample_distance_tcl.GetValue()
+ source2sample_distance = self._string2list(source2sample_distance)
+ self.resolution.set_source2sample_distance(source2sample_distance)
+ sample2sample_distance = self.sample2sample_distance_tcl.GetValue()
+ sample2sample_distance = self._string2list(sample2sample_distance)
+ self.resolution.set_sample2sample_distance(sample2sample_distance)
+ sample2detector_distance = \
+ self.sample2detector_distance_tcl.GetValue()
+ sample2detector_distance = \
+ self._string2list(sample2detector_distance)
+ self.resolution.set_sample2detector_distance(\
+ sample2detector_distance)
+ detector_size = self.detector_size_tcl.GetValue()
+ detector_size = self._string2list(detector_size)
+ self.resolution.set_detector_size(detector_size)
+ detector_pix_size = self.detector_pix_size_tcl.GetValue()
+ detector_pix_size = self._string2list(detector_pix_size)
+ self.resolution.set_detector_pix_size(detector_pix_size)
+ self.qx = self._string2inputlist(self.qx_tcl.GetValue())
+ self.qy = self._string2inputlist(self.qy_tcl.GetValue())
+
+ # Find min max of qs
+ xmin = min(self.qx)
+ xmax = max(self.qx)
+ ymin = min(self.qy)
+ ymax = max(self.qy)
+ if not self._validate_q_input(self.qx, self.qy):
+ raise
+ except:
+ msg = "An error occured during the resolution computation."
+ msg += "Please check your inputs..."
+ self._status_info(msg, status_type)
+ wx.MessageBox(msg, 'Warning')
+ return
+ #raise ValueError, "Invalid Q Input..."
+
+ # Validate the q inputs
+ q_input = self._validate_q_input(self.qx, self.qy)
+ if q_input != None:
+ self.qx, self.qy = q_input
+
+ # Make list of q min max for mapping
+ for i in range(len(self.qx)):
+ qx_min.append(xmin)
+ qx_max.append(xmax)
+ for i in range(len(self.qy)):
+ qy_min.append(ymin)
+ qy_max.append(ymax)
+
+ # Compute the resolution
+ if self.image != None:
+ #_pylab_helpers.Gcf.set_active(self.fm)
+ _pylab_helpers.Gcf.figs = {}
+ # Clear the image before redraw
+ self.image.clf()
+ # reset the image
+ self.resolution.reset_image()
+
+ # Compute and get the image plot
+ try:
+ from sas.sasgui.perspectives.calculator.resolcal_thread import CalcRes as thread
+ self.sigma_strings = '\nResolution: Computation is finished. \n'
+ cal_res = thread(func=self._map_func,
+ qx=self.qx,
+ qy=self.qy,
+ qx_min=qx_min,
+ qx_max=qx_max,
+ qy_min=qy_min,
+ qy_max=qy_max,
+ image=self.image,
+ completefn=self.complete)
+ cal_res.queue()
+ msg = "Computation is in progress..."
+ status_type = 'progress'
+ self._status_info(msg, status_type)
+ except:
+ raise
+
+ def complete(self, image, elapsed=None):
+ """
+ Callafter complete: wx call after needed for stable output
+ """
+ wx.CallAfter(self.complete_cal, image, elapsed)
+
+ def complete_cal(self, image, elapsed=None):
+ """
+ Complete computation
+ """
+ self.image = image
+ # Draw lines in image before drawing
+ wave_list, _ = self.resolution.get_wave_list()
+ if len(wave_list) > 1 and wave_list[-1] == max(wave_list):
+ # draw a green rectangle(limit for the longest wavelength
+ # to be involved) for tof inputs
+ self._draw_lines(self.image, color='g')
+ self._draw_lines(self.image, color='r')
+ # Draw image
+ self.image.draw()
+
+ # Get and format the sigmas
+ sigma_r = self.format_number(self.resolution.sigma_1)
+ sigma_phi = self.format_number(self.resolution.sigma_2)
+ sigma_lamd = self.format_number(self.resolution.sigma_lamd)
+ sigma_1d = self.format_number(self.resolution.sigma_1d)
+
+ # Set output values
+ self.sigma_r_tcl.SetValue(str(sigma_r))
+ self.sigma_phi_tcl.SetValue(str(sigma_phi))
+ self.sigma_lamd_tcl.SetValue(str(sigma_lamd))
+ self.sigma_1d_tcl.SetValue(str(sigma_1d))
+ msg = self.sigma_strings
+ msg += "\n"
+ status_type = 'stop'
+ self._status_info(msg, status_type)
+
+ def _draw_lines(self, image=None, color='r'):
+ """
+ Draw lines in image if applicable
+ : Param image: pylab object
+ """
+ if image == None:
+ return
+ if color == 'g':
+ # Get the params from resolution
+ # ploting range for largest wavelength
+ qx_min = self.resolution.qx_min
+ qx_max = self.resolution.qx_max
+ qy_min = self.resolution.qy_min
+ qy_max = self.resolution.qy_max
+ # detector range
+ detector_qx_min = self.resolution.detector_qx_min
+ detector_qx_max = self.resolution.detector_qx_max
+ detector_qy_min = self.resolution.detector_qy_min
+ detector_qy_max = self.resolution.detector_qy_max
+ else:
+ qx_min, qx_max, qy_min, qy_max = \
+ self.resolution.get_detector_qrange()
+ # detector range
+ detector_qx_min = self.resolution.qxmin_limit
+ detector_qx_max = self.resolution.qxmax_limit
+ detector_qy_min = self.resolution.qymin_limit
+ detector_qy_max = self.resolution.qymax_limit
+
+ # Draw zero axis lines
+ if qy_min < 0 and qy_max >= 0:
+ image.axhline(linewidth=1)
+ if qx_min < 0 and qx_max >= 0:
+ image.axvline(linewidth=1)
+
+ # Find x and y ratio values to draw the detector outline
+ x_min = fabs(detector_qx_min - qx_min) / (qx_max - qx_min)
+ x_max = fabs(detector_qx_max - qx_min) / (qx_max - qx_min)
+ y_min = fabs(detector_qy_min - qy_min) / (qy_max - qy_min)
+ y_max = fabs(detector_qy_max - qy_min) / (qy_max - qy_min)
+
+ # Draw Detector outline
+ if detector_qy_min >= qy_min:
+ image.axhline(y=detector_qy_min + 0.0002,
+ xmin=x_min, xmax=x_max,
+ linewidth=2, color=color)
+ if detector_qy_max <= qy_max:
+ image.axhline(y=detector_qy_max - 0.0002,
+ xmin=x_min, xmax=x_max,
+ linewidth=2, color=color)
+ if detector_qx_min >= qx_min:
+ image.axvline(x=detector_qx_min + 0.0002,
+ ymin=y_min, ymax=y_max,
+ linewidth=2, color=color)
+ if detector_qx_max <= qx_max:
+ image.axvline(x=detector_qx_max - 0.0002,
+ ymin=y_min, ymax=y_max,
+ linewidth=2, color=color)
+ xmin = min(self.qx)
+ xmax = max(self.qx)
+ ymin = min(self.qy)
+ ymax = max(self.qy)
+ if color != 'g':
+ if xmin < detector_qx_min or xmax > detector_qx_max or \
+ ymin < detector_qy_min or ymax > detector_qy_max:
+ # message
+ status_type = 'stop'
+ msg = 'At least one q value located out side of\n'
+ msg += " the detector range (%s < qx < %s, %s < qy < %s),\n" % \
+ (self.format_number(detector_qx_min),
+ self.format_number(detector_qx_max),
+ self.format_number(detector_qy_min),
+ self.format_number(detector_qy_max))
+ msg += " is ignored in computation.\n"
+
+ self._status_info(msg, status_type)
+ wx.MessageBox(msg, 'Warning')
+
+ def _map_func(self, qx, qy, qx_min, qx_max, qy_min, qy_max):
+ """
+ Prepare the Mapping for the computation
+ : params qx, qy, qx_min, qx_max, qy_min, qy_max:
+
+ : return: image (pylab)
+ """
+ try:
+ qx_value = float(qx)
+ qy_value = float(qy)
+ except:
+ raise
+ # calculate 2D resolution distribution image
+ image = self.resolution.compute_and_plot(qx_value, qy_value,
+ qx_min, qx_max, qy_min, qy_max,
+ self.det_coordinate)
+ # record sigmas
+ self.sigma_strings += " At Qx = %s, Qy = %s; \n" % (qx_value, qy_value)
+ self._sigma_strings()
+ return image
+
+ def _sigma_strings(self):
+ """
+ Recode sigmas as strins
+ """
+ sigma_r = self.format_number(self.resolution.sigma_1)
+ sigma_phi = self.format_number(self.resolution.sigma_2)
+ sigma_lamd = self.format_number(self.resolution.sigma_lamd)
+ sigma_1d = self.format_number(self.resolution.sigma_1d)
+ # Set output values
+ self.sigma_strings += " sigma_x = %s\n" % sigma_r
+ self.sigma_strings += " sigma_y = %s\n" % sigma_phi
+ self.sigma_strings += " sigma_lamd = %s\n" % sigma_lamd
+ self.sigma_strings += " sigma_1D = %s\n" % sigma_1d
+
+ def _validate_q_input(self, qx, qy):
+ """
+ Check if q inputs are valid
+ : params qx: qx as a list
+ : params qy: qy as a list
+
+ : return: True/False
+ """
+ # check qualifications
+ if qx.__class__.__name__ != 'list':
+ return None
+ if qy.__class__.__name__ != 'list':
+ return None
+ if len(qx) < 1:
+ return None
+ if len(qy) < 1:
+ return None
+ # allow one input
+ if len(qx) == 1 and len(qy) > 1:
+ qx = [qx[0] for ind in range(len(qy))]
+ #self.qx = qx
+ if len(qy) == 1 and len(qx) > 1:
+ qy = [qy[0] for ind in range(len(qx))]
+ #self.qy = qy
+ # check length
+ if len(qx) != len(qy):
+ return None
+ if qx == None or qy == None:
+ return None
+ return qx, qy
+
+ def on_reset(self, event):
+ """
+ Execute the reset
+ """
+ # skip for another event
+ if event != None:
+ event.Skip()
+ # init resolution_calculator
+ self.resolution = ResolutionCalculator()
+ self.resolution.get_all_instrument_params()
+ # reset all param values
+ self.source_cb.SetValue('Neutron')
+ self._on_source_selection(None)
+ self.wave_color_cb.SetValue('Monochromatic')
+ self._on_source_color(None)
+ #self.intensity_tcl.SetValue(str(self.resolution.intensity))
+ self.wavelength_tcl.SetValue(str(6.0))
+ self.wavelength_spread_tcl.SetValue(str(0.125))
+ self.resolution.set_spectrum(self.spectrum_dic['Flat'])
+ self.spectrum_txt.Show(False)
+ self.spectrum_cb.Show(False)
+ source_aperture_value = str(self.resolution.source_aperture_size[0])
+ if len(self.resolution.source_aperture_size) > 1:
+ source_aperture_value += ", "
+ source_aperture_value += \
+ str(self.resolution.source_aperture_size[1])
+ self.source_aperture_tcl.SetValue(str(source_aperture_value))
+ sample_aperture_value = str(self.resolution.sample_aperture_size[0])
+ if len(self.resolution.sample_aperture_size) > 1:
+ sample_aperture_value += ", "
+ sample_aperture_value += \
+ str(self.resolution.sample_aperture_size[1])
+ self.sample_aperture_tcl.SetValue(sample_aperture_value)
+ source2sample_distance_value = \
+ str(self.resolution.source2sample_distance[0])
+ self.source2sample_distance_tcl.SetValue(source2sample_distance_value)
+ sample2sample_distance_value = \
+ str(self.resolution.sample2sample_distance[0])
+ self.sample2sample_distance_tcl.SetValue(sample2sample_distance_value)
+ sample2detector_distance_value = \
+ str(self.resolution.sample2detector_distance[0])
+ self.sample2detector_distance_tcl.SetValue(\
+ sample2detector_distance_value)
+ detector_size_value = str(self.resolution.detector_size[0])
+ if len(self.resolution.detector_size) > 1:
+ detector_size_value += ", "
+ detector_size_value += str(self.resolution.detector_size[1])
+ self.detector_size_tcl.SetValue(detector_size_value)
+ detector_pix_size_value = str(self.resolution.detector_pix_size[0])
+ if len(self.resolution.detector_pix_size) > 1:
+ detector_pix_size_value += ", "
+ detector_pix_size_value += str(self.resolution.detector_pix_size[1])
+ self.detector_pix_size_tcl.SetValue(detector_pix_size_value)
+ #layout attribute
+ self.hint_sizer = None
+ # reset q inputs
+ self.qx_tcl.SetValue(str(_Q_DEFAULT))
+ self.qy_tcl.SetValue(str(_Q_DEFAULT))
+ # reset sigma outputs
+ self.sigma_r_tcl.SetValue('')
+ self.sigma_phi_tcl.SetValue('')
+ self.sigma_1d_tcl.SetValue('')
+ # reset radio button
+ #self.r_phi_rb.SetValue(True)
+ # Finally re-compute
+ self.on_compute()
+ # msg on info
+ msg = " Finished the resetting..."
+ self._status_info(msg, 'stop')
+
+ def format_number(self, value=None):
+ """
+ Return a float in a standardized, human-readable formatted string
+ """
+ try:
+ value = float(value)
+ except:
+ output = None
+ return output
+
+ output = "%-7.4g" % value
+ return output.lstrip().rstrip()
+
+ def _string2list(self, string):
+ """
+ Change NNN, NNN to list,ie. [NNN, NNN] where NNN is a number
+ """
+ new_string = []
+ # check the number of floats
+ try:
+ strg = float(string)
+ new_string.append(strg)
+ except:
+ string_split = string.split(',')
+ if len(string_split) == 2:
+ str_1 = string_split[0]
+ str_2 = string_split[1]
+ new_string.append(float(str_1))
+ new_string.append(float(str_2))
+ elif len(string_split) == 1:
+ str_1 = string_split[0]
+ new_string.append(float(str_1))
+ else:
+ msg = "The numbers must be one or two (separated by ',')..."
+ self._status_info(msg, 'stop')
+ raise RuntimeError, msg
+
+ return new_string
+
+ def _string2inputlist(self, string):
+ """
+ Change NNN, NNN,... to list,ie. [NNN, NNN,...] where NNN is a number
+
+ : return new_string: string like list
+ """
+ new_string = []
+ string_split = string.split(',')
+ length = len(string_split)
+ for ind in range(length):
+ try:
+ value = float(string_split[ind])
+ new_string.append(value)
+ except:
+ logging.error(sys.exc_value)
+
+ return new_string
+
+ def _str2longlist(self, string):
+ """
+ Change NNN, NNN,... to list, NNN - NNN ; NNN to list, or float to list
+
+ : return new_string: string like list
+ """
+ msg = "Wrong format of intputs."
+ try:
+ # is float
+ out = [float(string)]
+ return out
+ except:
+ if self.wave_color.lower().count('mono') > 0:
+ wx.MessageBox(msg, 'Warning')
+ else:
+ try:
+ # has a '-'
+ if string.count('-') > 0:
+ value = string.split('-')
+ if value[1].count(';') > 0:
+ # has a ';'
+ last_list = value[1].split(';')
+ num = math.ceil(float(last_list[1]))
+ max_value = float(last_list[0])
+ self.num_wave = num
+ else:
+ # default num
+ num = self.num_wave
+ max_value = float(value[1])
+ min_value = float(value[0])
+ # make a list
+ bin_size = math.fabs(max_value - min_value) / (num - 1)
+ out = [min_value + bin_size * bnum for bnum in range(num)]
+ return out
+ if string.count(',') > 0:
+ out = self._string2inputlist(string)
+ return out
+ except:
+ logging.error(sys.exc_value)
+
+ def _on_xy_coordinate(self, event=None):
+ """
+ Set the detector coordinate for sigmas to x-y coordinate
+ """
+ if event != None:
+ event.Skip()
+ # Set the coordinate in Cartesian
+ self.det_coordinate = 'cartesian'
+ self.sigma_r_txt.SetLabel('Sigma_x:')
+ self.sigma_phi_txt.SetLabel('Sigma_y:')
+ self._onparamEnter()
+
+ def _on_rp_coordinate(self, event=None):
+ """
+ Set the detector coordinate for sigmas to polar coordinate
+ """
+ if event != None:
+ event.Skip()
+ # Set the coordinate in polar
+ self.det_coordinate = 'polar'
+ self.sigma_r_txt.SetLabel('Sigma_r: ')
+ self.sigma_phi_txt.SetLabel('Sigma_phi:')
+ self._onparamEnter()
+
+ def _status_info(self, msg='', type="update"):
+ """
+ Status msg
+ """
+ if type == "stop":
+ label = "Compute"
+ able = True
+ else:
+ label = "Wait..."
+ able = False
+ self.compute_button.Enable(able)
+ self.compute_button.SetLabel(label)
+ self.compute_button.SetToolTipString(label)
+ if self.parent.parent != None:
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type=type))
+
+
+ def _onparamEnter(self, event=None):
+ """
+ On Text_enter_callback, perform compute
+ """
+ self.on_compute()
+
+ def _on_source_selection(self, event=None):
+ """
+ On source combobox selection
+ """
+ if event != None:
+ combo = event.GetEventObject()
+ event.Skip()
+ else:
+ combo = self.source_cb
+ selection = combo.GetValue()
+ mass = self.source_mass[selection]
+ self.resolution.set_neutron_mass(mass)
+ source_hint = "Source Selection: Affect on"
+ source_hint += " the gravitational contribution.\n"
+ source_hint += "Mass of %s: m = %s [g]" % \
+ (selection, str(self.resolution.get_neutron_mass()))
+ #source_tip.SetTip(source_hint)
+ self.mass_txt.ToolTip.SetTip(source_hint)
+
+ def _on_source_color(self, event=None):
+ """
+ On source color combobox selection
+ """
+ if event != None:
+ #combo = event.GetEventObject()
+ event.Skip()
+ #else:
+ combo = self.wave_color_cb
+ selection = combo.GetValue()
+ self.wave_color = selection
+ if self.wave_color.lower() == 'tof':
+ list = self.resolution.get_wave_list()
+ minw = min(list[0])
+ if len(list[0]) < 2:
+ maxw = 2 * minw
+ else:
+ maxw = max(list[0])
+ self.wavelength_tcl.SetValue('%s - %s' % (minw, maxw))
+ minw = min(list[1])
+ maxw = max(list[1])
+ self.wavelength_spread_tcl.SetValue('%s - %s' % (minw, maxw))
+ spectrum_val = self.spectrum_cb.GetValue()
+ self.resolution.set_spectrum(self.spectrum_dic[spectrum_val])
+ self.spectrum_txt.Show(True)
+ self.spectrum_cb.Show(True)
+
+ else:
+ wavelength = self.resolution.get_wavelength()
+ wavelength_spread = self.resolution.get_wavelength_spread()
+ self.wavelength_tcl.SetValue(str(wavelength))
+ self.wavelength_spread_tcl.SetValue(str(wavelength_spread))
+ self.resolution.set_spectrum(self.spectrum_dic['Flat'])
+ self.spectrum_txt.Show(False)
+ self.spectrum_cb.Show(False)
+ self.wavelength_sizer.Layout()
+ self.Layout()
+
+ def _on_spectrum_cb(self, event=None):
+ """
+ On spectrum ComboBox event
+ """
+ if event != None:
+ #combo = event.GetEventObject()
+ event.Skip()
+ else:
+ raise
+ selection = self.spectrum_cb.GetValue()
+ if selection == 'Add new':
+ path = self._selectDlg()
+ if path == None:
+ self.spectrum_cb.SetValue('Flat')
+ self.resolution.set_spectrum(self.spectrum_dic['Flat'])
+ msg = "No file has been chosen."
+ wx.MessageBox(msg, 'Info')
+ return
+ try:
+ basename = os.path.basename(path)
+ if basename not in self.spectrum_dic.keys():
+ self.spectrum_cb.Append(basename)
+ self.spectrum_dic[basename] = self._read_file(path)
+ self.spectrum_cb.SetValue(basename)
+ self.resolution.set_spectrum(self.spectrum_dic[basename])
+ return
+ except:
+ raise
+
+ self.resolution.set_spectrum(self.spectrum_dic[selection])
+
+ def _selectDlg(self):
+ """
+ open a dialog file to select a customized spectrum
+ """
+ dlg = wx.FileDialog(self,
+ "Choose a wavelength spectrum file: Intensity vs. wavelength",
+ self.parent.parent.get_save_location() , "", "*.*", wx.OPEN)
+ path = None
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ dlg.Destroy()
+ return path
+
+ def _read_file(self, path):
+ """
+ Read two columns file as tuples of numpy array
+
+ :param path: the path to the file to read
+
+ """
+ try:
+ if path == None:
+ wx.PostEvent(self.parent.parent, StatusEvent(status=\
+ " Selected Distribution was not loaded: %s" % path))
+ return None, None
+ input_f = open(path, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+
+ wavelength = []
+ intensity = []
+ for line in lines:
+ toks = line.split()
+ try:
+ wave = float(toks[0])
+ intens = float(toks[1])
+ wavelength.append(wave)
+ intensity.append(intens)
+ except:
+ # Skip non-data lines
+ logging.error(sys.exc_value)
+
+ return [wavelength, intensity]
+ except:
+ raise
+
+class ResolutionWindow(widget.CHILD_FRAME):
+ """
+ Resolution Window
+ """
+ def __init__(self, parent=None, manager=None,
+ title="Q Resolution Estimator",
+ size=(PANEL_WIDTH * 2, PANEL_HEIGHT), *args, **kwds):
+ kwds['title'] = title
+ kwds['size'] = size
+ widget.CHILD_FRAME.__init__(self, parent=parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self.panel = ResolutionCalculatorPanel(parent=self)
+ self.Bind(wx.EVT_CLOSE, self.OnClose)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def OnClose(self, event):
+ """
+ On close event
+ """
+ _pylab_helpers.Gcf.figs = {}
+ if self.manager != None:
+ self.manager.cal_res_frame = None
+ self.Destroy()
+
+
+if __name__ == "__main__":
+ app = wx.PySimpleApp()
+ widget.CHILD_FRAME = wx.Frame
+ frame = ResolutionWindow()
+ frame.Show(True)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/sample_editor.py b/src/sas/sasgui/perspectives/calculator/sample_editor.py
new file mode 100644
index 0000000..a52ed20
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/sample_editor.py
@@ -0,0 +1,552 @@
+
+import wx
+import sys
+from copy import deepcopy
+from sas.sasgui.guiframe.utils import check_float
+
+_BOX_WIDTH = 60
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 550
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 1
+
+class SampleDialog(wx.Dialog):
+ def __init__(self, parent=None, manager=None, sample=None,
+ size=(PANEL_WIDTH, PANEL_HEIGHT), title='Sample Editor'):
+
+ wx.Dialog.__init__(self, parent=parent, size=size, title=title)
+ self.parent = parent
+ self.manager = manager
+ self._sample = sample
+ self._reset_sample = deepcopy(sample)
+ self._notes = ""
+ self._description = "Edit Sample"
+ self._do_layout()
+ self.set_values()
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_sample = wx.StaticBox(self, -1, str("Sample"))
+ self.boxsizer_sample = wx.StaticBoxSizer(self.box_sample,
+ wx.VERTICAL)
+ self.name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.id_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.thickness_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.transmission_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.temperature_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.position_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.orientation_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.details_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_name(self):
+ """
+ Do the layout for sample name related widgets
+ """
+ ## Short name for sample [string]
+ sample_name_txt = wx.StaticText(self, -1, 'Sample Name : ')
+ self.sample_name_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH * 5, 20), style=0)
+ self.name_sizer.AddMany([(sample_name_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.sample_name_tcl, 0, wx.EXPAND)])
+ def _layout_id(self):
+ """
+ Do the layout for id related widgets
+ """
+ ## ID [String]
+ id_txt = wx.StaticText(self, -1, 'ID: ')
+ self.id_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0)
+ self.id_sizer.AddMany([(id_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.id_tcl, 0, wx.LEFT, 55)])
+
+ def _layout_thickness(self):
+ """
+ Do the layout for thickness related widgets
+ """
+ ## Thickness [float] [mm]
+ thickness_txt = wx.StaticText(self, -1, 'Thickness:')
+ self.thickness_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ thickness_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.thickness_unit_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0)
+ self.thickness_sizer.AddMany([(thickness_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.thickness_tcl, 0, wx.LEFT, 25),
+ (thickness_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.thickness_unit_tcl, 0, wx.EXPAND)])
+ def _layout_transmission(self):
+ """
+ Do the layout for transmission related widgets
+ """
+ ## Transmission [float] [fraction]
+ transmission = None
+ transmission_txt = wx.StaticText(self, -1, 'Transmission:')
+ self.transmission_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.transmission_sizer.AddMany([(transmission_txt,
+ 0, wx.LEFT | wx.RIGHT, 10),
+ (self.transmission_tcl, 0, wx.LEFT, 12)])
+
+ def _layout_temperature(self):
+ """
+ Do the layout for temperature related widgets
+ """
+ ## Temperature [float] [C]
+ temperature_txt = wx.StaticText(self, -1, 'Temperature:')
+ self.temperature_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ temperature_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.temperature_unit_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0)
+ self.temperature_sizer.AddMany([(temperature_txt, 0,
+ wx.LEFT | wx.RIGHT, 10),
+ (self.temperature_tcl, 0, wx.LEFT, 10),
+ (temperature_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.temperature_unit_tcl, 0, wx.EXPAND)])
+
+ def _layout_position(self):
+ """
+ Do the layout for position related widgets
+ """
+ ## Position [Vector] [mm]
+ position_txt = wx.StaticText(self, -1, 'Position:')
+ x_position_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_position_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_position_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_position_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_position_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_position_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ position_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.position_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.position_sizer.AddMany([(position_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (x_position_txt, 0, wx.LEFT, 14),
+ (self.x_position_tcl, 0, wx.RIGHT, 10),
+ (y_position_txt, 0, wx.EXPAND),
+ (self.y_position_tcl, 0, wx.RIGHT, 10),
+ (z_position_txt, 0, wx.EXPAND),
+ (self.z_position_tcl, 0, wx.RIGHT, 10),
+ (position_unit_txt, 0, wx.EXPAND),
+ (self.position_unit_tcl, 0, wx.RIGHT, 10)])
+ def _layout_orientation(self):
+ """
+ Do the layout for orientation related widgets
+ """
+ ## Orientation [Vector] [degrees]
+ orientation_txt = wx.StaticText(self, -1, 'Orientation:')
+ x_orientation_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_orientation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_orientation_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_orientation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_orientation_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_orientation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ orientation_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.orientation_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.orientation_sizer.AddMany([(orientation_txt, 0,
+ wx.LEFT | wx.RIGHT, 10),
+ (x_orientation_txt, 0, wx.LEFT, 0),
+ (self.x_orientation_tcl, 0, wx.RIGHT, 10),
+ (y_orientation_txt, 0, wx.EXPAND),
+ (self.y_orientation_tcl, 0, wx.RIGHT, 10),
+ (z_orientation_txt, 0, wx.EXPAND),
+ (self.z_orientation_tcl, 0, wx.RIGHT, 10),
+ (orientation_unit_txt, 0, wx.EXPAND),
+ (self.orientation_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_details(self):
+ """
+ Do the layout for beam size name related widgets
+ """
+ ## Details
+ details = None
+ details_txt = wx.StaticText(self, -1, 'Details: ')
+ self.details_tcl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 5, _BOX_WIDTH),
+ style=wx.TE_MULTILINE | wx.HSCROLL)
+ self.details_sizer.AddMany([(details_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.details_tcl, 0, wx.EXPAND)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, 'Apply')
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+ self.bt_apply.SetToolTipString("Apply current changes to the sample.")
+ self.bt_cancel = wx.Button(self, -1, 'Cancel')
+ self.bt_cancel.SetToolTipString("Cancel current changes.")
+ self.bt_cancel.Bind(wx.EVT_BUTTON, self.on_click_cancel)
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.SetToolTipString("Close window.")
+ self.button_sizer.AddMany([(self.bt_apply, 0, wx.LEFT, 200),
+ (self.bt_cancel, 0, wx.LEFT, 10),
+ (self.bt_close, 0, wx.LEFT, 10)])
+
+ def _do_layout(self, data=None):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_name()
+ self._layout_id()
+ self._layout_thickness()
+ self._layout_transmission()
+ self._layout_temperature()
+ self._layout_position()
+ self._layout_orientation()
+ self._layout_details()
+ self._layout_button()
+ self.boxsizer_sample.AddMany([(self.name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.id_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.thickness_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.transmission_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.temperature_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.position_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.orientation_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.details_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.main_sizer.AddMany([(self.boxsizer_sample, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def reset_sample(self):
+ """
+ Put initial values of the sample back to the current sample
+ """
+ self._sample.name = self._reset_sample.name
+ self._sample.ID = self._reset_sample.ID
+ self._sample.thickness = self._reset_sample.thickness
+ self._sample.thickness_unit = self._reset_sample.thickness_unit
+ self._sample.transmission = self._reset_sample.transmission
+ self._sample.temperature = self._reset_sample.temperature
+ self._sample.temperature_unit = self._reset_sample.temperature_unit
+
+ self._sample.position.x = self._reset_sample.position.x
+ self._sample.position.y = self._reset_sample.position.y
+ self._sample.position.z = self._reset_sample.position.x
+ self._sample.position_unit = self._reset_sample.position_unit
+
+ self._sample.orientation.x = self._reset_sample.orientation.x
+ self._sample.orientation.y = self._reset_sample.orientation.y
+ self._sample.orientation.z = self._reset_sample.orientation.x
+ self._sample.orientation_unit = self._reset_sample.orientation_unit
+
+ self._sample.details = self._reset_sample.details
+
+ def set_manager(self, manager):
+ """
+ Set manager of this window
+ """
+ self.manager = manager
+
+ def set_values(self):
+ """
+ take the sample values of the current data and display them
+ through the panel
+ """
+ sample = self._sample
+ #Name
+ self.sample_name_tcl.SetValue(str(sample.name))
+ #id
+ self.id_tcl.SetValue(str(sample.ID))
+ #thickness
+ self.thickness_tcl.SetValue(str(sample.thickness))
+ self.thickness_unit_tcl.SetValue(str(sample.thickness_unit))
+ #transmission
+ self.transmission_tcl.SetValue(str(sample.transmission))
+ #temperature
+ self.temperature_tcl.SetValue(str(sample.temperature))
+ self.temperature_unit_tcl.SetValue(str(sample.temperature_unit))
+ #position
+ x, y, z = sample.position.x, sample.position.y , sample.position.z
+ self.x_position_tcl.SetValue(str(x))
+ self.y_position_tcl.SetValue(str(y))
+ self.z_position_tcl.SetValue(str(z))
+ self.position_unit_tcl.SetValue(str(sample.position_unit))
+ #orientation
+ x, y = sample.orientation.x, sample.orientation.y
+ z = sample.orientation.z
+ self.x_orientation_tcl.SetValue(str(x))
+ self.y_orientation_tcl.SetValue(str(y))
+ self.z_orientation_tcl.SetValue(str(z))
+ self.orientation_unit_tcl.SetValue(str(sample.orientation_unit))
+
+ self.set_details(sample)
+
+ def set_details(self, sample):
+ """
+ print details on the current sample
+ """
+ #detail
+ msg = ''
+ if sample.details is not None or sample.details:
+ for item in sample.details:
+ msg += " %s\n" % item
+ self.details_tcl.SetValue(str(msg))
+
+ def get_sample(self):
+ """
+ return the current sample
+ """
+ return self._sample
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_name(self):
+ """
+ Change name
+ """
+ #Change the name of the sample
+ name = self.sample_name_tcl.GetValue().lstrip().rstrip()
+ if name == "" or name == str(None):
+ name = None
+ if self._sample.name != name:
+ self._notes += "Change sample 's "
+ self._notes += "name from %s to %s \n" % (self._sample.name, name)
+ self._sample.name = name
+
+ def on_change_id(self):
+ """
+ Change id of the sample
+ """
+ #Change id
+ id = self.id_tcl.GetValue().lstrip().rstrip()
+ self._sample.ID = id
+ self._notes += " Change ID from"
+ self._notes += " %s to %s \n" % (self._sample.ID, id)
+
+ def on_change_thickness(self):
+ """
+ Change thickness
+ """
+ #Change thickness
+ thickness = self.thickness_tcl.GetValue().lstrip().rstrip()
+ self._sample.thickness = thickness
+ self._notes += " Change thickness from"
+ self._notes += " %s to %s \n" % (self._sample.thickness, thickness)
+
+ def on_change_transmission(self):
+ """
+ Change transmission
+ """
+ #Change transmission
+ transmission = self.transmission_tcl.GetValue().lstrip().rstrip()
+ if self._sample.transmission != transmission:
+ self._notes += " Change transmission from"
+ self._notes += " %s to %s \n" % (self._sample.transmission,
+ transmission)
+ self._sample.transmission = transmission
+
+ def on_change_temperature(self):
+ """
+ Change temperature
+ """
+ #Change temperature
+ temperature = self.temperature_tcl.GetValue().lstrip().rstrip()
+ self._sample.temperature = temperature
+ self._notes += " Change temperature from"
+ self._notes += " %s to %s \n" % (self._sample.temperature, temperature)
+ #change temperature unit
+ unit = self.temperature_unit_tcl.GetValue().lstrip().rstrip()
+ if self._sample.temperature_unit != unit:
+ self._notes += " Change temperature's unit from "
+ self._notes += "%s to %s" % (self._sample.temperature_unit, unit)
+ self._sample.temperature_unit = unit
+
+ def on_change_position(self):
+ """
+ Change position
+ """
+ #Change x coordinate
+ x_position = self.x_position_tcl.GetValue().lstrip().rstrip()
+ if x_position == "" or x_position == str(None):
+ x_position = None
+ else:
+ if check_float(self.x_position_tcl):
+ if self._sample.position.x != float(x_position) :
+ self._notes += "Change x of position from "
+ self._notes += "%s to %s \n" % (self._sample.position.x,
+ x_position)
+ self._sample.position.x = float(x_position)
+ else:
+ self._notes += "Error: Expected a float for the position 's x "
+ self._notes += "won't changes x position from "
+ self._notes += "%s to %s" % (self._sample.position.x, x_position)
+ #Change y coordinate
+ y_position = self.y_position_tcl.GetValue().lstrip().rstrip()
+ if y_position == "" or y_position == str(None):
+ y_position = None
+ self._sample.position.y = y_position
+ else:
+ if check_float(self.y_position_tcl):
+ if self._sample.position.y != float(y_position):
+ self._notes += "Change y of position from "
+ self._notes += "%s to %s \n" % (self._sample.position.y,
+ y_position)
+ self._sample.position.y = float(y_position)
+ else:
+ self._notes += "Error: Expected a float for the beam size's y "
+ self._notes += "won't changes y position from "
+ self._notes += "%s to %s" % (self._sample.position.y, y_position)
+ #Change z coordinate
+ z_position = self.z_position_tcl.GetValue().lstrip().rstrip()
+ if z_position == "" or z_position == str(None):
+ z_position = None
+ self._sample.position.z = z_position
+ else:
+ if check_float(self.z_position_tcl):
+ if self._sample.position.z != float(z_position):
+ self._notes += "Change z of position from "
+ self._notes += "%s to %s \n" % (self._sample.position.z,
+ z_position)
+ self._sample.position.z = float(z_position)
+ else:
+ self._notes += "Error: Expected a float for position's x "
+ self._notes += "won't changes z position from "
+ self._notes += "%s to %s" % (self._sample.position.z, z_position)
+ #change the beam center unit
+ unit = self.position_unit_tcl.GetValue().lstrip().rstrip()
+ if self._sample.position_unit != unit:
+ self._notes += " Change position's unit from "
+ self._notes += "%s to %s" % (self._sample.position_unit, unit)
+
+ def on_change_orientation(self):
+ """
+ Change orientation
+ """
+ #Change x coordinate
+ x_orientation = self.x_orientation_tcl.GetValue().lstrip().rstrip()
+ if x_orientation == "" or x_orientation == str(None):
+ x_orientation = None
+ else:
+ if check_float(self.x_orientation_tcl):
+ if self._sample.orientation.x != float(x_orientation) :
+ self._notes += "Change x of orientation from "
+ self._notes += "%s to %s \n" % (self._sample.orientation.x,
+ x_orientation)
+ self._sample.orientation.x = float(x_orientation)
+ else:
+ self._notes += "Error: Expected a float for orientation 's x "
+ self._notes += "won't changes x orientation from "
+ self._notes += "%s to %s" % (self._sample.orientation.x,
+ x_orientation)
+ #Change y coordinate
+ y_orientation = self.y_orientation_tcl.GetValue().lstrip().rstrip()
+ if y_orientation == "" or y_orientation == str(None):
+ y_orientation = None
+ self._sample.orientation.y = y_orientation
+ else:
+ if check_float(self.y_orientation_tcl):
+ if self._sample.orientation.y != float(y_orientation):
+ self._notes += "Change y of orientation from "
+ self._notes += "%s to %s \n" % (self._sample.orientation.y,
+ y_orientation)
+ self._sample.orientation.y = float(y_orientation)
+ else:
+ self._notes += "Error: Expected a float for orientation's y "
+ self._notes += "won't changes y orientation from "
+ self._notes += "%s to %s" % (self._sample.orientation.y,
+ y_orientation)
+ #Change z coordinate
+ z_orientation = self.z_orientation_tcl.GetValue().lstrip().rstrip()
+ if z_orientation == "" or z_orientation == str(None):
+ z_orientation = None
+ self._sample.orientation.z = z_orientation
+ else:
+ if check_float(self.z_orientation_tcl):
+ if self._sample.orientation.z != float(z_orientation):
+ self._notes += "Change z of orientation from "
+ self._notes += "%s to %s \n" % (self._sample.orientation.z,
+ z_orientation)
+ self._sample.orientation.z = float(z_orientation)
+ else:
+ self._notes += "Error: Expected a float for orientation 's x "
+ self._notes += "won't changes z orientation from "
+ self._notes += "%s to %s" % (self._sample.orientation.z,
+ z_orientation)
+ #change the beam center unit
+ unit = self.orientation_unit_tcl.GetValue().lstrip().rstrip()
+ if self._sample.orientation_unit != unit:
+ self._notes += " Change orientation's unit from "
+ self._notes += "%s to %s" % (self._sample.orientation_unit, unit)
+
+ def on_change_details(self):
+ """
+ Change details
+ """
+ #Change details
+ details = self.details_tcl.GetValue().lstrip().rstrip()
+ msg = ""
+ if self._sample.details is not None or self._sample.details:
+ for item in self._sample.details:
+ if item != details:
+ msg += " %s\n" % item
+ self._notes += " Change details from"
+ self._notes += " %s to %s \n" % (msg, details)
+ self._sample.details.append(details)
+
+ def on_click_apply(self, event):
+ """
+ Apply user values to the sample
+ """
+ self.on_change_name()
+ self.on_change_id()
+ self.on_change_thickness()
+ self.on_change_transmission()
+ self.on_change_temperature()
+ self.on_change_position()
+ self.on_change_orientation()
+ self.on_change_details()
+ self.set_details(self._sample)
+ if self.manager is not None:
+ self.manager.set_sample(self._sample)
+ if event is not None:
+ event.Skip()
+
+ def on_click_cancel(self, event):
+ """
+ leave the sample as it is and close
+ """
+ self.reset_sample()
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_sample(self._sample, self._notes)
+ if event is not None:
+ event.Skip()
+
+if __name__ == "__main__":
+ app = wx.App()
+ from sas.sascalc.dataloader.data_info import Sample
+ sample = Sample()
+ dlg = SampleDialog(sample=sample)
+ dlg.ShowModal()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/sld_panel.py b/src/sas/sasgui/perspectives/calculator/sld_panel.py
new file mode 100644
index 0000000..a82811e
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/sld_panel.py
@@ -0,0 +1,526 @@
+"""
+This module provide GUI for the neutron scattering length density calculator
+
+"""
+
+import wx
+import math
+import sys
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.utils import check_float
+from sas.sasgui.guiframe.events import StatusEvent
+
+# the calculator default value for wavelength is 6
+#import periodictable
+from periodictable import formula
+from periodictable.xsf import xray_energy
+from periodictable.xsf import xray_sld_from_atoms
+from periodictable.nsf import neutron_scattering
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+WAVELENGTH = 6.0
+_BOX_WIDTH = 76
+_STATICBOX_WIDTH = 350
+_SCALE = 1e-6
+
+#SLD panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ _STATICBOX_WIDTH = 350
+ PANEL_SIZE = 400
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ _STATICBOX_WIDTH = 380
+ PANEL_SIZE = 410
+ FONT_VARIANT = 1
+
+class SldPanel(wx.Panel, PanelBase):
+ """
+ Provides the SLD calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "SLD Calculator"
+ ## Name to appear on the window title bar
+ window_caption = "SLD Calculator"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+ def __init__(self, parent, base=None, *args, **kwds):
+ """
+ """
+ wx.Panel.__init__(self, parent, *args, **kwds)
+ PanelBase.__init__(self)
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # Object that receive status event
+ self.base = base
+ self.wavelength = WAVELENGTH
+ self.parent = parent
+ #layout attribute
+ self.compound_ctl = None
+ self.density_ctl = None
+ self.compound = ""
+ self.density = ""
+ self.wavelength_ctl = None
+ self.neutron_sld_real_ctl = None
+ self.neutron_sld_im_ctl = None
+ self.mo_ka_sld_real_ctl = None
+ self.mo_ka_sld_im_ctl = None
+ self.cu_ka_sld_real_ctl = None
+ self.cu_ka_sld_im_ctl = None
+ self.neutron_abs_ctl = None
+ self.neutron_inc_ctl = None
+ self.neutron_length_ctl = None
+ self.button_calculate = None
+ #Draw the panel
+ self._do_layout()
+ self.SetAutoLayout(True)
+ self.Layout()
+
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ unit_a = '[A]'
+ unit_density = '[g/cm^(3)]'
+ unit_sld = '[1/A^(2)]'
+ unit_cm1 = '[1/cm]'
+ unit_cm = '[cm]'
+ sizer_input = wx.GridBagSizer(5, 5)
+ sizer_output = wx.GridBagSizer(5, 5)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer1 = wx.BoxSizer(wx.HORIZONTAL)
+ sizer2 = wx.BoxSizer(wx.HORIZONTAL)
+ sizer3 = wx.BoxSizer(wx.HORIZONTAL)
+ #---------inputs----------------
+ inputbox = wx.StaticBox(self, -1, "Input")
+ boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
+ boxsizer1.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ compound_txt = wx.StaticText(self, -1, 'Compound ')
+ self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH * 2, -1))
+ density_txt = wx.StaticText(self, -1, 'Density ')
+ self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ unit_density_txt = wx.StaticText(self, -1, unit_density)
+ wavelength_txt = wx.StaticText(self, -1, 'Wavelength ')
+ self.wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ self.wavelength_ctl.SetValue(str(self.wavelength))
+ unit_a_txt = wx.StaticText(self, -1, unit_a)
+ iy = 0
+ ix = 0
+ sizer_input.Add(compound_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_input.Add(self.compound_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_input.Add(density_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_input.Add(self.density_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_input.Add(unit_density_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_input.Add(wavelength_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_input.Add(self.wavelength_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_input.Add(unit_a_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ boxsizer1.Add(sizer_input)
+ sizer1.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+ #---------Outputs sizer--------
+ outputbox = wx.StaticBox(self, -1, "Output")
+ boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
+ boxsizer2.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ i_complex = '- i'
+ neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD')
+ self.neutron_sld_real_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.neutron_sld_real_ctl.SetEditable(False)
+ self.neutron_sld_real_ctl.SetToolTipString("Neutron SLD real.")
+ self.neutron_sld_im_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.neutron_sld_im_ctl.SetEditable(False)
+ self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary.")
+ neutron_sld_units_txt = wx.StaticText(self, -1, unit_sld)
+
+ cu_ka_sld_txt = wx.StaticText(self, -1, 'Cu Ka SLD')
+ self.cu_ka_sld_real_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.cu_ka_sld_real_ctl.SetEditable(False)
+ self.cu_ka_sld_real_ctl.SetToolTipString("Cu Ka SLD real.")
+ self.cu_ka_sld_im_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.cu_ka_sld_im_ctl.SetEditable(False)
+ self.cu_ka_sld_im_ctl.SetToolTipString("Cu Ka SLD imaginary.")
+ cu_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
+
+ mo_ka_sld_txt = wx.StaticText(self, -1, 'Mo Ka SLD')
+ self.mo_ka_sld_real_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.mo_ka_sld_real_ctl.SetEditable(False)
+ self.mo_ka_sld_real_ctl.SetToolTipString("Mo Ka SLD real.")
+ self.mo_ka_sld_im_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.mo_ka_sld_im_ctl.SetEditable(False)
+ self.mo_ka_sld_im_ctl.SetToolTipString("Mo Ka SLD imaginary.")
+ mo_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
+
+ neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs')
+ self.neutron_inc_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.neutron_inc_ctl.SetEditable(False)
+ self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs")
+ neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
+
+ neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
+ self.neutron_abs_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.neutron_abs_ctl.SetEditable(False)
+ self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
+ neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
+
+ neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
+ self.neutron_length_ctl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ self.neutron_length_ctl.SetEditable(False)
+ self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
+ neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
+
+ iy = 0
+ ix = 0
+ sizer_output.Add(neutron_sld_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.neutron_sld_real_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(wx.StaticText(self, -1, i_complex),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.neutron_sld_im_ctl,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(neutron_sld_units_txt,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_output.Add(cu_ka_sld_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.cu_ka_sld_real_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(wx.StaticText(self, -1, i_complex),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.cu_ka_sld_im_ctl,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(cu_ka_sld_units_txt,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_output.Add(mo_ka_sld_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.mo_ka_sld_real_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(wx.StaticText(self, -1, i_complex),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(self.mo_ka_sld_im_ctl,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer_output.Add(mo_ka_sld_units_txt,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_output.Add(neutron_inc_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.neutron_inc_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ sizer_output.Add(neutron_inc_units_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_output.Add(neutron_abs_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.neutron_abs_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ sizer_output.Add(neutron_abs_units_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer_output.Add(neutron_length_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_output.Add(self.neutron_length_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ sizer_output.Add(neutron_length_units_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ boxsizer2.Add(sizer_output)
+ sizer2.Add(boxsizer2, 0, wx.EXPAND | wx.ALL, 10)
+ #-----Button sizer------------
+
+ id = wx.NewId()
+ self.button_calculate = wx.Button(self, id, "Calculate")
+ self.button_calculate.SetToolTipString("Calculate SLD.")
+ self.Bind(wx.EVT_BUTTON, self.calculateSld, id=id)
+
+ id = wx.NewId()
+ self.button_help = wx.Button(self, id, "HELP")
+ self.button_help.SetToolTipString("help on SLD calculator.")
+ self.Bind(wx.EVT_BUTTON, self.on_help, id=id)
+
+ self.button_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.button_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.button_close.SetToolTipString("Close this window.")
+
+ sizer_button.Add((150, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(self.button_calculate, 0, wx.RIGHT | wx.ADJUST_MINSIZE, 20)
+ sizer_button.Add(self.button_help, 0, wx.RIGHT | wx.ADJUST_MINSIZE, 20)
+ sizer_button.Add(self.button_close, 0, wx.RIGHT | wx.ADJUST_MINSIZE, 20)
+ sizer3.Add(sizer_button)
+ #---------layout----------------
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ vbox.Add(sizer1)
+ vbox.Add(sizer2)
+ vbox.Add(sizer3)
+ vbox.Fit(self)
+ self.SetSizer(vbox)
+
+ def on_help(self, event):
+ """
+ Bring up the SLD Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "sld_calculator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "General Scattering Calculator Help")
+
+ def on_close(self, event):
+ """
+ close the window containing this panel
+ """
+ self.parent.Close()
+
+ def calculate_xray_sld(self, element):
+ """
+ Get an element and compute the corresponding SLD for a given formula
+
+ :param element: elements a string of existing atom
+
+ """
+ myformula = formula(str(element))
+ if len(myformula.atoms) != 1:
+ return
+ element = myformula.atoms.keys()[0]
+ energy = xray_energy(element.K_alpha)
+
+ self.sld_formula = formula(str(self.compound), density=self.density)
+ atom = self.sld_formula.atoms
+ return xray_sld_from_atoms(atom, density=self.density, energy=energy)
+
+ def check_inputs(self):
+ """Check validity user inputs"""
+ flag = True
+ msg = ""
+ if check_float(self.density_ctl):
+ self.density = float(self.density_ctl.GetValue())
+ else:
+ flag = False
+ msg += "Error for Density value :expect float"
+
+ self.wavelength = self.wavelength_ctl.GetValue()
+ if str(self.wavelength).lstrip().rstrip() == "":
+ self.wavelength = WAVELENGTH
+ self.wavelength_ctl.SetValue(str(WAVELENGTH))
+ self.wavelength_ctl.SetBackgroundColour(wx.WHITE)
+ self.wavelength_ctl.Refresh()
+ msg += "Default value for wavelength is 6.0"
+ else:
+ if check_float(self.wavelength_ctl):
+ self.wavelength = float(self.wavelength)
+ else:
+ flag = False
+ msg += "Error for wavelength value :expect float"
+
+ self.compound = self.compound_ctl.GetValue().lstrip().rstrip()
+ if self.compound != "":
+ try :
+ formula(self.compound)
+ self.compound_ctl.SetBackgroundColour(wx.WHITE)
+ self.compound_ctl.Refresh()
+ except:
+ self.compound_ctl.SetBackgroundColour("pink")
+ self.compound_ctl.Refresh()
+ flag = False
+ msg += "Enter correct formula"
+ else:
+ self.compound_ctl.SetBackgroundColour("pink")
+ self.compound_ctl.Refresh()
+ flag = False
+ msg += "Enter a formula"
+ return flag, msg
+
+ def calculate_sld_helper(self, element, density, molecule_formula):
+ """
+ Get an element and compute the corresponding SLD for a given formula
+
+ :param element: elements a string of existing atom
+
+ """
+ element_formula = formula(str(element))
+ if len(element_formula.atoms) != 1:
+ return
+ element = element_formula.atoms.keys()[0]
+ energy = xray_energy(element.K_alpha)
+ atom = molecule_formula.atoms
+ return xray_sld_from_atoms(atom, density=density, energy=energy)
+
+
+ def calculateSld(self, event):
+ """
+ Calculate the neutron scattering density length of a molecule
+ """
+ self.clear_outputs()
+ try:
+ #Check validity user inputs
+ flag, msg = self.check_inputs()
+ if self.base is not None and msg.lstrip().rstrip() != "":
+ msg = "SLD Calculator: %s" % str(msg)
+ wx.PostEvent(self.base, StatusEvent(status=msg))
+ if not flag:
+ return
+ #get ready to compute
+ self.sld_formula = formula(self.compound,
+ density=self.density)
+ (sld_real, sld_im, _), (_, absorp, incoh), \
+ length = neutron_scattering(compound=self.compound,
+ density=self.density,
+ wavelength=self.wavelength)
+ cu_real, cu_im = self.calculate_sld_helper(element="Cu",
+ density=self.density,
+ molecule_formula=self.sld_formula)
+ mo_real, mo_im = self.calculate_sld_helper(element="Mo",
+ density=self.density,
+ molecule_formula=self.sld_formula)
+ # set neutron sld values
+ val = format_number(sld_real * _SCALE)
+ self.neutron_sld_real_ctl.SetValue(val)
+ val = format_number(math.fabs(sld_im) * _SCALE)
+ self.neutron_sld_im_ctl.SetValue(val)
+ # Compute the Cu SLD
+ self.cu_ka_sld_real_ctl.SetValue(format_number(cu_real * _SCALE))
+ val = format_number(math.fabs(cu_im) * _SCALE)
+ self.cu_ka_sld_im_ctl.SetValue(val)
+ # Compute the Mo SLD
+ self.mo_ka_sld_real_ctl.SetValue(format_number(mo_real * _SCALE))
+ val = format_number(math.fabs(mo_im) * _SCALE)
+ self.mo_ka_sld_im_ctl.SetValue(val)
+ # set incoherence and absorption
+ self.neutron_inc_ctl.SetValue(format_number(incoh))
+ self.neutron_abs_ctl.SetValue(format_number(absorp))
+ # Neutron length
+ self.neutron_length_ctl.SetValue(format_number(length))
+ # display wavelength
+ self.wavelength_ctl.SetValue(str(self.wavelength))
+ except:
+ if self.base is not None:
+ msg = "SLD Calculator: %s" % (sys.exc_value)
+ wx.PostEvent(self.base, StatusEvent(status=msg))
+ if event is not None:
+ event.Skip()
+
+ def clear_outputs(self):
+ """
+ Clear the outputs textctrl
+ """
+ self.neutron_sld_real_ctl.SetValue("")
+ self.neutron_sld_im_ctl.SetValue("")
+ self.mo_ka_sld_real_ctl.SetValue("")
+ self.mo_ka_sld_im_ctl.SetValue("")
+ self.cu_ka_sld_real_ctl.SetValue("")
+ self.cu_ka_sld_im_ctl.SetValue("")
+ self.neutron_abs_ctl.SetValue("")
+ self.neutron_inc_ctl.SetValue("")
+ self.neutron_length_ctl.SetValue("")
+
+
+class SldWindow(widget.CHILD_FRAME):
+ """
+ """
+ def __init__(self, parent=None, title="SLD Calculator",
+ base=None, manager=None,
+ size=(PANEL_SIZE, PANEL_SIZE), *args, **kwds):
+ """
+ """
+ kwds['title'] = title
+ kwds['size'] = size
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwds)
+ """
+ """
+ self.parent = parent
+ self.base = base
+ self.manager = manager
+ self.panel = SldPanel(self, base=base)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def on_close(self, event):
+ """
+ On close event
+ """
+ if self.manager != None:
+ self.manager.sld_frame = None
+ self.Destroy()
+
+
+class ViewApp(wx.App):
+ """
+ """
+ def OnInit(self):
+ """
+ """
+ widget.CHILD_FRAME = wx.Frame
+ frame = SldWindow(None, title='SLD Calculator')
+ frame.Show(True)
+ self.SetTopWindow(frame)
+ return True
+
+
+if __name__ == "__main__":
+ app = ViewApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/slit_length_calculator_panel.py b/src/sas/sasgui/perspectives/calculator/slit_length_calculator_panel.py
new file mode 100644
index 0000000..5e5ad82
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/slit_length_calculator_panel.py
@@ -0,0 +1,314 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2008, 2009, University of Tennessee
+"""
+
+import wx
+import sys
+import os
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sascalc.calculator.slit_length_calculator import SlitlengthCalculator
+from calculator_widgets import OutputTextCtrl
+from calculator_widgets import InterActiveOutputTextCtrl
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+_BOX_WIDTH = 76
+#Slit length panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 210
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 210
+ FONT_VARIANT = 1
+
+class SlitLengthCalculatorPanel(wx.Panel, PanelBase):
+ """
+ Provides the slit length calculator GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Slit Size Calculator"
+ ## Name to appear on the window title bar
+ window_caption = "Slit Size Calculator"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+
+ def __init__(self, parent, *args, **kwds):
+ wx.Panel.__init__(self, parent, *args, **kwds)
+ PanelBase.__init__(self)
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ #thread to read data
+ self.reader = None
+ # Default location
+ self._default_save_location = os.getcwd()
+ # Object that receive status event
+ self.parent = parent
+ self._do_layout()
+
+ def _define_structure(self):
+ """
+ Define the main sizers building to build this application.
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_source = wx.StaticBox(self, -1, str("Slit Size Calculator"))
+ self.boxsizer_source = wx.StaticBoxSizer(self.box_source,
+ wx.VERTICAL)
+ self.data_name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.slit_size_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.hint_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_data_name(self):
+ """
+ Fill the sizer containing data's name
+ """
+ data_name_txt = wx.StaticText(self, -1, 'Data: ')
+ self.data_name_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH * 4, -1))
+ data_hint = "Loaded data"
+ self.data_name_tcl.SetToolTipString(data_hint)
+ #control that triggers importing data
+ id = wx.NewId()
+ self.browse_button = wx.Button(self, id, "Browse")
+ hint_on_browse = "Click on this button to import data in this panel."
+ self.browse_button.SetToolTipString(hint_on_browse)
+ self.Bind(wx.EVT_BUTTON, self.on_load_data, id=id)
+ self.data_name_sizer.AddMany([(data_name_txt, 0, wx.LEFT, 15),
+ (self.data_name_tcl, 0, wx.LEFT, 10),
+ (self.browse_button, 0, wx.LEFT, 10)])
+ def _layout_slit_size(self):
+ """
+ Fill the sizer containing slit size information
+ """
+ slit_size_txt = wx.StaticText(self, -1, 'Slit Size (FWHM/2): ')
+ self.slit_size_tcl = InterActiveOutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ slit_size_hint = " Estimated full slit size"
+ self.slit_size_tcl.SetToolTipString(slit_size_hint)
+ slit_size_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.slit_size_unit_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ slit_size_unit_hint = "Full slit size's unit"
+ self.slit_size_unit_tcl.SetToolTipString(slit_size_unit_hint)
+ self.slit_size_sizer.AddMany([(slit_size_txt, 0, wx.LEFT, 15),
+ (self.slit_size_tcl, 0, wx.LEFT, 10),
+ (slit_size_unit_txt, 0, wx.LEFT, 10),
+ (self.slit_size_unit_tcl, 0, wx.LEFT, 10)])
+
+ def _layout_hint(self):
+ """
+ Fill the sizer containing hint
+ """
+ hint_msg = "This calculation works only for SAXSess beam profile data."
+ self.hint_txt = wx.StaticText(self, -1, hint_msg)
+ self.hint_sizer.AddMany([(self.hint_txt, 0, wx.LEFT, 15)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.Bind(wx.EVT_BUTTON, self.on_close)
+ self.bt_close.SetToolTipString("Close this window.")
+
+ id = wx.NewId()
+ self.button_help = wx.Button(self, id, "HELP")
+ self.button_help.SetToolTipString("Help for slit length calculator.")
+ self.Bind(wx.EVT_BUTTON, self.on_help, id=id)
+
+ self.button_sizer.AddMany([(self.button_help, 0, wx.LEFT, 280),
+ (self.bt_close, 0, wx.LEFT, 20)])
+
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ self._define_structure()
+ self._layout_data_name()
+ self._layout_slit_size()
+ self._layout_hint()
+ self._layout_button()
+ self.boxsizer_source.AddMany([(self.data_name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.slit_size_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.hint_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.main_sizer.AddMany([(self.boxsizer_source, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def choose_data_file(self, location=None):
+ path = None
+ filename = ''
+ if location == None:
+ location = os.getcwd()
+
+ wildcard = "SAXSess Data 1D (*.DAT, *.dat)|*.DAT"
+
+ dlg = wx.FileDialog(self, "Choose a file", location,
+ "", wildcard, wx.OPEN)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ filename = os.path.basename(path)
+ dlg.Destroy()
+
+ return path
+
+ def on_help(self, event):
+ """
+ Bring up the slit length calculator Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/calculator/"
+ _TreeLocation += "slit_calculator_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Slit Length Calculator Help")
+
+ def on_close(self, event):
+ """
+ close the window containing this panel
+ """
+ self.parent.Close()
+
+ def on_load_data(self, event):
+ """
+ Open a file dialog to allow the user to select a given file.
+ The user is only allow to load file with extension .DAT or .dat.
+ Display the slit size corresponding to the loaded data.
+ """
+ path = self.choose_data_file(location=self._default_save_location)
+
+ if path is None:
+ return
+ self._default_save_location = path
+ try:
+ #Load data
+ from load_thread import DataReader
+ ## If a thread is already started, stop it
+ if self.reader is not None and self.reader.isrunning():
+ self.reader.stop()
+ if self.parent.parent is not None:
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status="Loading...",
+ type="progress"))
+ self.reader = DataReader(path=path,
+ completefn=self.complete_loading,
+ updatefn=self.load_update)
+ self.reader.queue()
+ self.load_update()
+ except:
+ if self.parent.parent is None:
+ return
+ msg = "Slit Length Calculator: %s" % (sys.exc_value)
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type='stop'))
+ return
+
+ def load_update(self):
+ """
+ print update on the status bar
+ """
+ if self.parent.parent is None:
+ return
+ if self.reader.isrunning():
+ type = "progress"
+ else:
+ type = "stop"
+ wx.PostEvent(self.parent.parent, StatusEvent(status="",
+ type=type))
+
+ def complete_loading(self, data=None, filename=''):
+ """
+ Complete the loading and compute the slit size
+ """
+ if data is None or data.__class__.__name__ == 'Data2D':
+ if self.parent.parent is None:
+ return
+ msg = "Slit Length cannot be computed for 2D Data"
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type='stop'))
+ return
+ self.data_name_tcl.SetValue(str(data.filename))
+ #compute the slit size
+ try:
+ x = data.x
+ y = data.y
+ if x == [] or x is None or y == [] or y is None:
+ msg = "The current data is empty please check x and y"
+ raise ValueError, msg
+ slit_length_calculator = SlitlengthCalculator()
+ slit_length_calculator.set_data(x=x, y=y)
+ slit_length = slit_length_calculator.calculate_slit_length()
+ except:
+ if self.parent.parent is None:
+ return
+ msg = "Slit Size Calculator: %s" % (sys.exc_value)
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg, type='stop'))
+ return
+ self.slit_size_tcl.SetValue(str(slit_length))
+ #Display unit
+ self.slit_size_unit_tcl.SetValue('[Unknown]')
+ if self.parent.parent is None:
+ return
+ msg = "Load Complete"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg, type='stop'))
+
+
+class SlitLengthCalculatorWindow(widget.CHILD_FRAME):
+ """
+ """
+ def __init__(self, parent=None, manager=None, title="Slit Size Calculator",
+ size=(PANEL_WIDTH, PANEL_HEIGHT), *args, **kwds):
+ """
+ """
+ kwds['size'] = size
+ kwds['title'] = title
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwds)
+ self.parent = parent
+ self.manager = manager
+ self.panel = SlitLengthCalculatorPanel(parent=self)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def on_close(self, event):
+ """
+ Close event
+ """
+ if self.manager != None:
+ self.manager.cal_slit_frame = None
+ self.Destroy()
+
+if __name__ == "__main__":
+ app = wx.PySimpleApp()
+ widget.CHILD_FRAME = wx.Frame
+ frame = SlitLengthCalculatorWindow()
+ frame.Show(True)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/calculator/source_editor.py b/src/sas/sasgui/perspectives/calculator/source_editor.py
new file mode 100644
index 0000000..876aec7
--- /dev/null
+++ b/src/sas/sasgui/perspectives/calculator/source_editor.py
@@ -0,0 +1,540 @@
+"""
+"""
+import wx
+import sys
+from copy import deepcopy
+from sas.sasgui.guiframe.utils import check_float
+
+_BOX_WIDTH = 60
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 550
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 1
+
+class SourceDialog(wx.Dialog):
+ def __init__(self, parent=None, manager=None, source=None, *args, **kwds):
+ kwds['title'] = "Source Editor"
+ kwds['size'] = (PANEL_WIDTH, PANEL_HEIGHT)
+ wx.Dialog.__init__(self, parent=parent, *args, **kwds)
+
+ self.parent = parent
+ self.manager = manager
+ self._source = source
+ self._reset_source = deepcopy(source)
+ self._notes = ""
+ self._description = "Edit source"
+ self._do_layout()
+ self.set_values()
+
+ def _define_structure(self):
+ """
+ define initial sizer
+ """
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.box_source = wx.StaticBox(self, -1, str("source"))
+ self.boxsizer_source = wx.StaticBoxSizer(self.box_source,
+ wx.VERTICAL)
+ self.name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.radiation_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.beam_shape_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.wavelength_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.wavelength_min_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.wavelength_max_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.wavelength_spread_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.beam_size_name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.beam_size_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_name(self):
+ """
+ Do the layout for sample name related widgets
+ """
+ # Sample name [string]
+ sample_name_txt = wx.StaticText(self, -1, 'Sample Name : ')
+ self.sample_name_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH * 5, 20), style=0)
+ self.name_sizer.AddMany([(sample_name_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.sample_name_tcl, 0, wx.EXPAND)])
+ def _layout_radiation(self):
+ """
+ Do the layout for radiation related widgets
+ """
+ #Radiation type [string]
+ radiation_txt = wx.StaticText(self, -1, 'Radiation: ')
+ self.radiation_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.radiation_sizer.AddMany([(radiation_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.radiation_tcl, 0, wx.LEFT, 20)])
+
+ def _layout_beam_shape(self):
+ """
+ Do the layout for beam shape related widgets
+ """
+ #Beam shape [string]
+ beam_shape_txt = wx.StaticText(self, -1, 'Beam shape:')
+ self.beam_shape_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.beam_shape_sizer.AddMany([(beam_shape_txt, 0,
+ wx.LEFT | wx.RIGHT, 10),
+ (self.beam_shape_tcl, 0, wx.LEFT, 10)])
+
+ def _layout_wavelength(self):
+ """
+ Do the layout for wavelength related widgets
+ """
+ #Wavelength [float] [Angstrom]
+ wavelength_txt = wx.StaticText(self, -1, 'wavelength:')
+ self.wavelength_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ wavelength_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.wavelength_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.wavelength_sizer.AddMany([(wavelength_txt,
+ 0, wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_tcl, 0, wx.LEFT, 12),
+ (wavelength_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_unit_tcl, 0, wx.EXPAND)])
+
+ def _layout_wavelength_min(self):
+ """
+ Do the layout for wavelength min related widgets
+ """
+ #Minimum wavelength [float] [Angstrom]
+ wavelength_min_txt = wx.StaticText(self, -1, 'Wavelength min:')
+ self.wavelength_min_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ wavelength_min_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.wavelength_min_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.wavelength_min_sizer.AddMany([(wavelength_min_txt,
+ 0, wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_min_tcl, 0, wx.LEFT, 10),
+ (wavelength_min_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_min_unit_tcl, 0, wx.EXPAND)])
+
+ def _layout_wavelength_max(self):
+ """
+ Do the layout for wavelength max related widgets
+ """
+ #Maximum wavelength [float] [Angstrom]
+ wavelength_max_txt = wx.StaticText(self, -1, 'Wavelength max:')
+ self.wavelength_max_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ wavelength_max_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.wavelength_max_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.wavelength_max_sizer.AddMany([(wavelength_max_txt, 0,
+ wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_max_tcl, 0, wx.LEFT, 7),
+ (wavelength_max_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_max_unit_tcl, 0, wx.EXPAND)])
+
+ def _layout_wavelength_spread(self):
+ """
+ Do the layout for wavelength spread related widgets
+ """
+ ## Wavelength spread [float] [Angstrom]
+ wavelength_spread = None
+ wavelength_spread_unit = 'percent'
+ wavelength_spread_txt = wx.StaticText(self, -1, 'Wavelength spread:')
+ self.wavelength_spread_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ wavelength_spread_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.wavelength_spread_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.wavelength_spread_sizer.AddMany([(wavelength_spread_txt,
+ 0, wx.LEFT, 10),
+ (self.wavelength_spread_tcl, 0, wx.LEFT, 5),
+ (wavelength_spread_unit_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.wavelength_spread_unit_tcl, 0, wx.EXPAND)])
+ def _layout_beam_size_name(self):
+ """
+ Do the layout for beam size name related widgets
+ """
+ # Beam size name [string]
+ beam_size_name_txt = wx.StaticText(self, -1, 'Beam size name : ')
+ self.beam_size_name_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH * 5, 20), style=0)
+ self.beam_size_name_sizer.AddMany([(beam_size_name_txt,
+ 0, wx.LEFT | wx.RIGHT, 10),
+ (self.beam_size_name_tcl, 0, wx.EXPAND)])
+
+ def _layout_beam_size(self):
+ """
+ Do the layout for beam size related widgets
+ """
+ ## Beam size [Vector] [mm]
+ beam_size = None
+ beam_size_unit = 'mm'
+
+ beam_size_txt = wx.StaticText(self, -1, 'Beam size:')
+ x_beam_size_txt = wx.StaticText(self, -1, 'x = ')
+ self.x_beam_size_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ y_beam_size_txt = wx.StaticText(self, -1, 'y = ')
+ self.y_beam_size_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ z_beam_size_txt = wx.StaticText(self, -1, 'z = ')
+ self.z_beam_size_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ beam_size_unit_txt = wx.StaticText(self, -1, 'Unit: ')
+ self.beam_size_unit_tcl = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0)
+ self.beam_size_sizer.AddMany([(beam_size_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (x_beam_size_txt, 0, wx.LEFT, 17),
+ (self.x_beam_size_tcl, 0, wx.RIGHT, 10),
+ (y_beam_size_txt, 0, wx.EXPAND),
+ (self.y_beam_size_tcl, 0, wx.RIGHT, 10),
+ (z_beam_size_txt, 0, wx.EXPAND),
+ (self.z_beam_size_tcl, 0, wx.RIGHT, 10),
+ (beam_size_unit_txt, 0, wx.EXPAND),
+ (self.beam_size_unit_tcl, 0, wx.RIGHT, 10)])
+
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ self.bt_apply = wx.Button(self, -1, 'Apply')
+ self.bt_apply.Bind(wx.EVT_BUTTON, self.on_click_apply)
+ self.bt_apply.SetToolTipString("Apply current changes to the source.")
+ self.bt_cancel = wx.Button(self, -1, 'Cancel')
+ self.bt_cancel.SetToolTipString("Cancel current changes.")
+ self.bt_cancel.Bind(wx.EVT_BUTTON, self.on_click_cancel)
+ self.bt_close = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.bt_close.SetToolTipString("Close window.")
+ self.button_sizer.AddMany([(self.bt_apply, 0, wx.LEFT, 200),
+ (self.bt_cancel, 0, wx.LEFT, 10),
+ (self.bt_close, 0, wx.LEFT, 10)])
+
+ def _do_layout(self, data=None):
+ """
+ Draw the current panel
+ """
+ self._define_structure()
+ self._layout_name()
+ self._layout_radiation()
+ self._layout_beam_shape()
+ self._layout_wavelength()
+ self._layout_wavelength_min()
+ self._layout_wavelength_max()
+ self._layout_wavelength_spread()
+ self._layout_beam_size_name()
+ self._layout_beam_size()
+ self._layout_button()
+
+ self.boxsizer_source.AddMany([(self.name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.radiation_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.beam_shape_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.wavelength_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.wavelength_min_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.wavelength_max_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.wavelength_spread_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.beam_size_name_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5),
+ (self.beam_size_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+ self.main_sizer.AddMany([(self.boxsizer_source, 0, wx.ALL, 10),
+ (self.button_sizer, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM, 5)])
+
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def set_manager(self, manager):
+ """
+ Set manager of this window
+ """
+ self.manager = manager
+
+ def reset_source(self):
+ """
+ put back initial values of the source
+ """
+ self._source.name = self._reset_source.name
+ self._source.radiation = self._reset_source.radiation
+ self._source.beam_size_name = self._reset_source.beam_size_name
+
+ self._source.beam_size.x = self._reset_source.beam_size.x
+ self._source.beam_size.y = self._reset_source.beam_size.y
+ self._source.beam_size.z = self._reset_source.beam_size.z
+ self._source.beam_size_unit = self._reset_source.beam_size_unit
+
+ self._source.beam_shape = self._reset_source.beam_shape
+ self._source.wavelength = self._reset_source.wavelength
+ self._source.wavelength_unit = self._reset_source.wavelength_unit
+ ## Minimum wavelength [float] [Angstrom]
+ self._source.wavelength_min = self._reset_source.wavelength_min
+ self._source.wavelength_min_unit = self._reset_source.wavelength_min_unit
+
+ self._source.wavelength_max = self._reset_source.wavelength_max
+ self._source.wavelength_max_unit = self._reset_source.wavelength_max_unit
+
+ self._source.wavelength_spread = self._reset_source.wavelength_spread
+ self._source.wavelength_spread_unit = self._reset_source.wavelength_spread_unit
+
+ def set_values(self):
+ """
+ take the source values of the current data and display them
+ through the panel
+ """
+ source = self._source
+ #Name
+ self.sample_name_tcl.SetValue(str(source.name))
+ #Radiation
+ self.radiation_tcl.SetValue(str(source.radiation))
+ #Beam shape
+ self.beam_shape_tcl.SetValue(str(source.beam_shape))
+ #Wavelength
+ self.wavelength_tcl.SetValue(str(source.wavelength))
+ self.wavelength_unit_tcl.SetValue(str(source.wavelength_unit))
+ #Wavelength min
+ self.wavelength_min_tcl.SetValue(str(source.wavelength_min))
+ self.wavelength_min_unit_tcl.SetValue(str(source.wavelength_min_unit))
+ #Wavelength max
+ self.wavelength_max_tcl.SetValue(str(source.wavelength_max))
+ self.wavelength_max_unit_tcl.SetValue(str(source.wavelength_max_unit))
+ #Wavelength spread
+ self.wavelength_spread_tcl.SetValue(str(source.wavelength_spread))
+ self.wavelength_spread_unit_tcl.SetValue(str(source.wavelength_spread_unit))
+ #Beam size
+ self.beam_size_name_tcl.SetValue(str(source.beam_size_name))
+ x, y, z = source.beam_size.x, source.beam_size.y , source.beam_size.z
+ self.x_beam_size_tcl.SetValue(str(x))
+ self.y_beam_size_tcl.SetValue(str(y))
+ self.z_beam_size_tcl.SetValue(str(z))
+ self.beam_size_unit_tcl.SetValue(str(source.beam_size_unit))
+
+ def get_source(self):
+ """
+ return the current source
+ """
+ return self._source
+
+ def get_notes(self):
+ """
+ return notes
+ """
+ return self._notes
+
+ def on_change_name(self):
+ """
+ Change name
+ """
+ #Change the name of the source
+ name = self.sample_name_tcl.GetValue().lstrip().rstrip()
+ if name == "" or name == str(None):
+ name = None
+ if self._source.name != name:
+ self._notes += "Change sample 's "
+ self._notes += "name from %s to %s \n" % (self._source.name, name)
+ self._source.name = name
+
+ def on_change_radiation(self):
+ """
+ Change radiation of the sample
+ """
+ #Change radiation
+ radiation = self.radiation_tcl.GetValue().lstrip().rstrip()
+ self._source.radiation = radiation
+ self._notes += " Change radiation from"
+ self._notes += " %s to %s \n" % (self._source.radiation, radiation)
+
+ def on_change_beam_shape(self):
+ """
+ Change beams shape
+ """
+ #Change beam shape
+ beam_shape = self.beam_shape_tcl.GetValue().lstrip().rstrip()
+ self._source.beam_shape = beam_shape
+ self._notes += " Change beam shape from"
+ self._notes += " %s to %s \n" % (self._source.beam_shape, beam_shape)
+
+ def on_change_wavelength(self):
+ """
+ Change the wavelength
+ """
+ #Change wavelength
+ wavelength = self.wavelength_tcl.GetValue().lstrip().rstrip()
+ self._source.wavelength = wavelength
+ self._notes += " Change wavelength from"
+ self._notes += " %s to %s \n" % (self._source.wavelength, wavelength)
+ #change the wavelength unit
+ unit = self.wavelength_unit_tcl.GetValue().lstrip().rstrip()
+ if self._source.wavelength_unit != unit:
+ self._notes += " Change wavelength's unit from "
+ self._notes += "%s to %s" % (self._source.wavelength_unit, unit)
+
+ def on_change_wavelength_min(self):
+ """
+ Change the wavelength minimum
+ """
+ #Change wavelength min
+ wavelength_min = self.wavelength_min_tcl.GetValue().lstrip().rstrip()
+ self._source.wavelength_min = wavelength_min
+ self._notes += " Change wavelength min from"
+ self._notes += " %s to %s \n" % (self._source.wavelength_min,
+ wavelength_min)
+ #change the wavelength min unit
+ unit = self.wavelength_min_unit_tcl.GetValue().lstrip().rstrip()
+ if self._source.wavelength_min_unit != unit:
+ self._notes += " Change wavelength min's unit from "
+ self._notes += "%s to %s" % (self._source.wavelength_min_unit, unit)
+
+ def on_change_wavelength_max(self):
+ """
+ Change the wavelength maximum
+ """
+ #Change wavelength max
+ wavelength_max = self.wavelength_max_tcl.GetValue().lstrip().rstrip()
+ self._source.wavelength_max = wavelength_max
+ self._notes += " Change wavelength max from"
+ self._notes += " %s to %s \n" % (self._source.wavelength_max,
+ wavelength_max)
+ #change the wavelength max unit
+ unit = self.wavelength_max_unit_tcl.GetValue().lstrip().rstrip()
+ if self._source.wavelength_max_unit != unit:
+ self._notes += " Change wavelength max's unit from "
+ self._notes += "%s to %s" % (self._source.wavelength_max_unit, unit)
+
+ def on_change_wavelength_spread(self):
+ """
+ Change the wavelength spread
+ """
+ #Change wavelength spread
+ wavelength_spread = self.wavelength_spread_tcl.GetValue().lstrip().rstrip()
+ self._notes += " Change wavelength spread from"
+ self._notes += " %s to %s \n" % (self._source.wavelength_spread,
+ wavelength_spread)
+ self._source.wavelength_spread = wavelength_spread
+ #change the wavelength spread unit
+ unit = self.wavelength_spread_unit_tcl.GetValue().lstrip().rstrip()
+ if self._source.wavelength_spread_unit != unit:
+ self._notes += " Change wavelength spread's unit from "
+ self._notes += "%s to %s" % (self._source.wavelength_spread_unit,
+ unit)
+ self._source.wavelength_spread_unit = unit
+
+ def on_change_beam_size_name(self):
+ """
+ Change beam size name
+ """
+ #Change beam size name
+ name = self.beam_size_name_tcl.GetValue().lstrip().rstrip()
+ if name == "" or name == str(None):
+ name = None
+ if self._source.beam_size_name != name:
+ self._notes += "Change beam size 's "
+ self._notes += "name from %s to %s \n" % (self._source.beam_size_name,
+ name)
+ self._source.name = name
+
+ def on_change_beam_size(self):
+ """
+ Change beam size
+ """
+ #Change x coordinate
+ x_beam_size = self.x_beam_size_tcl.GetValue().lstrip().rstrip()
+ if x_beam_size == "" or x_beam_size == str(None):
+ x_beam_size = None
+ else:
+ if check_float(self.x_beam_size_tcl):
+ if self._source.beam_size.x != float(x_beam_size) :
+ self._notes += "Change x of beam size from "
+ self._notes += "%s to %s \n" % (self._source.beam_size.x,
+ x_beam_size)
+ self._source.beam_size.x = float(x_beam_size)
+ else:
+ self._notes += "Error: Expected a float for the beam size 's x "
+ self._notes += "won't changes x beam size from "
+ self._notes += "%s to %s" % (self._source.beam_size.x,
+ x_beam_size)
+ #Change y coordinate
+ y_beam_size = self.y_beam_size_tcl.GetValue().lstrip().rstrip()
+ if y_beam_size == "" or y_beam_size == str(None):
+ y_beam_size = None
+ self._source.beam_size.y = y_beam_size
+ else:
+ if check_float(self.y_beam_size_tcl):
+ if self._source.beam_size.y != float(y_beam_size):
+ self._notes += "Change y of beam size from "
+ self._notes += "%s to %s \n" % (self._source.beam_size.y,
+ y_beam_size)
+ self._source.beam_size.y = float(y_beam_size)
+ else:
+ self._notes += "Error: Expected a float for the beam size's y "
+ self._notes += "won't changes y beam size from "
+ self._notes += "%s to %s" % (self._source.beam_size.y,
+ y_beam_size)
+ #Change z coordinate
+ z_beam_size = self.z_beam_size_tcl.GetValue().lstrip().rstrip()
+ if z_beam_size == "" or z_beam_size == str(None):
+ z_beam_size = None
+ self._source.beam_size.z = z_beam_size
+ else:
+ if check_float(self.z_beam_size_tcl):
+ if self._source.beam_size.z != float(z_beam_size):
+ self._notes += "Change z of beam size from "
+ self._notes += "%s to %s \n" % (self._source.beam_size.z,
+ z_beam_size)
+ self._source.beam_size.z = float(z_beam_size)
+ else:
+ self._notes += "Error: Expected a float for the beam size 's z "
+ self._notes += "won't changes z beam size from "
+ self._notes += "%s to %s" % (self._source.beam_size.z,
+ z_beam_size)
+ #change the beam center unit
+ unit = self.beam_size_unit_tcl.GetValue().lstrip().rstrip()
+ if self._source.beam_size_unit != unit:
+ self._notes += " Change beam size's unit from "
+ self._notes += "%s to %s" % (self._source.beam_size_unit, unit)
+ self._source.beam_size_unit = unit
+
+ def on_click_apply(self, event):
+ """
+ Apply user values to the source
+ """
+ self.on_change_name()
+ self.on_change_radiation()
+ self.on_change_beam_shape()
+ self.on_change_wavelength()
+ self.on_change_wavelength_min()
+ self.on_change_wavelength_max()
+ self.on_change_wavelength_spread()
+ self.on_change_beam_size_name()
+ self.on_change_beam_size()
+ if self.manager is not None:
+ self.manager.set_source(self._source, self._notes)
+ if event is not None:
+ event.Skip()
+
+ def on_click_cancel(self, event):
+ """
+ reset the current source
+ """
+ self.reset_source()
+ self.set_values()
+ if self.manager is not None:
+ self.manager.set_source(self._source)
+ if event is not None:
+ event.Skip()
+
+if __name__ == "__main__":
+ app = wx.App()
+ from sas.sascalc.dataloader.data_info import Source
+ source = Source()
+ dlg = SourceDialog(source=source)
+ dlg.ShowModal()
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/corfunc/__init__.py b/src/sas/sasgui/perspectives/corfunc/__init__.py
new file mode 100644
index 0000000..869ffdf
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/__init__.py
@@ -0,0 +1,2 @@
+PLUGIN_ID = "Corfunc Plug-In 0.1"
+from corfunc import *
diff --git a/src/sas/sasgui/perspectives/corfunc/corfunc.py b/src/sas/sasgui/perspectives/corfunc/corfunc.py
new file mode 100644
index 0000000..a03655d
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/corfunc.py
@@ -0,0 +1,217 @@
+"""
+ Corfunc perspective
+"""
+import wx
+import sys
+import logging
+import copy
+from sas.sasgui.guiframe.plugin_base import PluginBase
+from sas.sasgui.guiframe.gui_manager import MDIFrame
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import PlotLimitEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.perspectives.corfunc.corfunc_panel import CorfuncPanel
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.perspectives.pr.pr_widgets import DataDialog
+from sas.sasgui.perspectives.corfunc.corfunc_state import Reader
+from sas.sascalc.dataloader.loader import Loader
+import sas.sascalc.dataloader
+from plot_labels import *
+
+
+class Plugin(PluginBase):
+ """
+ This class defines the interface for a plugin class for a correlation
+ function perspective
+ """
+
+ def __init__(self):
+ PluginBase.__init__(self, name="Correlation Function")
+ logging.info("Correlation function plug-in started")
+ self._always_active = True
+ self.state_reader = Reader(self.set_state)
+ self._extensions = '.crf'
+
+ def get_panels(self, parent):
+ """
+ Define the GUI panels
+ """
+ self.parent = parent
+ self.frame = MDIFrame(self.parent, None, 'None', (100,200))
+ self.data_id = IQ_DATA_LABEL
+ self.corfunc_panel = CorfuncPanel(parent=self.frame)
+ self.frame.set_panel(self.corfunc_panel)
+ self.corfunc_panel.set_manager(self)
+ self._frame_set_helper()
+ self.perspective.append(self.corfunc_panel.window_name)
+
+ l = Loader()
+ l.associate_file_reader('.crf', self.state_reader)
+
+ return [self.corfunc_panel]
+
+ def get_context_menu(self, plotpanel=None):
+ """
+ Get the context menu items available for Corfunc.
+
+ :param plotpanel: A Plotter1D panel
+
+ :return: a list of menu items with call-back function
+
+ :note: if Data1D was generated from Theory1D
+ the fitting option is not allowed
+ """
+ graph = plotpanel.graph
+ if graph.selected_plottable not in plotpanel.plots:
+ return []
+ data = plotpanel.plots[graph.selected_plottable]
+ if data.id == IQ_DATA_LABEL or data.id == IQ_EXTRAPOLATED_DATA_LABEL or data.id == TRANSFORM_LABEL1 or data.id == TRANSFORM_LABEL3:
+ return []
+ item = plotpanel.plots[graph.selected_plottable]
+ if item.__class__.__name__ is "Data2D":
+ return []
+ elif item.__class__.__name__ is "Data1D":
+ return [["Select data in corfunc",
+ "Send this data to the correlation function perspective",
+ self._on_select_data]]
+
+
+
+ def set_state(self, state=None, datainfo=None):
+ """
+ Callback for CorfuncState reader. Called when a .crf file is loaded
+ """
+ if isinstance(datainfo, list):
+ data = datainfo[0]
+ else:
+ data = datainfo
+ self.corfunc_panel.set_state(state=state, data=data)
+ self.on_perspective(event=None)
+ data = self.parent.create_gui_data(data, None)
+ self.parent.add_data({ data.id: data })
+
+ def set_data(self, data_list=None):
+ """
+ Load the data that's been selected
+
+ :param data_list: The data to load in
+ """
+ if data_list is None:
+ data_list = []
+ if len(data_list) >= 1:
+ msg = ""
+ if len(data_list) == 1:
+ data = data_list[0]
+ else:
+ data_1d_list = []
+ data_2d_list = []
+ err_msg = ""
+
+ for data in data_list:
+ if data is not None:
+ if issubclass(data.__class__, Data1D):
+ data_1d_list.append(data)
+ else:
+ err_msg += "{} type {} \n".format(str(data.name),
+ str(data.__class__))
+ data_2d_list.append(data)
+ if len(data_2d_list) > 0:
+ msg = "Corfunc doesn't support the following data types:\n"
+ msg += err_msg
+ if len(data_1d_list) == 0:
+ msg += "No data recieved"
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info='error'))
+ return
+ elif len(data_list) > 1:
+ msg = "Corfunc does not allow multiple data\n"
+ msg += "Please select one.\n"
+ dlg = DataDialog(data_list=data_1d_list, text=msg)
+ if dlg.ShowModal() == wx.ID_OK:
+ data = dlg.get_data()
+ else:
+ data = None
+ dlg.Destroy()
+
+ if data is None:
+ msg += "Corfunc recieved no data\n"
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info='error'))
+ return
+ if issubclass(data.__class__, Data1D):
+ try:
+ wx.PostEvent(self.parent, NewPlotEvent(action='remove',
+ group_id=GROUP_ID_IQ_DATA,
+ id=self.data_id))
+ self.data_id = data.id
+ self.corfunc_panel.set_data(data)
+ except:
+ msg = "Corfunc set_data: " + str(sys.exc_value)
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info='error'))
+
+ def delete_data(self, data):
+ """
+ Delete the data from the perspective
+ """
+ self.clear_data()
+ self.corfunc_panel.set_data(None)
+
+ def show_data(self, data, label, reset=False, active_ctrl=None):
+ """
+ Show data read from a file
+
+ :param data: The data to plot (Data1D)
+ :param label: What to label the plot. Also used as the plot ID
+ :param reset: If True, all other plottables will be cleared
+ """
+ new_plot = Data1D(data.x, copy.deepcopy(data.y), dy=data.dy)
+ group_id = ""
+ if label == IQ_DATA_LABEL or label == IQ_EXTRAPOLATED_DATA_LABEL:
+ new_plot.xaxis("\\rm{Q}", 'A^{-1}')
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ new_plot.y -= self.corfunc_panel.background
+ # Show data on a log(Q)/I scale
+ new_plot.ytransform = 'y'
+ group_id = GROUP_ID_IQ_DATA
+ if label == IQ_EXTRAPOLATED_DATA_LABEL:
+ # Show the extrapolation as a curve instead of points
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ elif label == TRANSFORM_LABEL1 or label == TRANSFORM_LABEL3:
+ new_plot.xaxis("{x}", 'A')
+ new_plot.yaxis("{\\Gamma}", '')
+ # Show transform on a linear scale
+ new_plot.xtransform = 'x'
+ new_plot.ytransform = 'y'
+ group_id = GROUP_ID_TRANSFORM
+ # Show the transformation as a curve instead of points
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ new_plot.id = label
+ new_plot.name = label
+ new_plot.group_id = group_id
+ new_plot.interactive = True
+ new_plot.title = group_id.replace('$', '').replace('\\', '')
+ wx.PostEvent(self.parent,
+ NewPlotEvent(plot=new_plot, title=new_plot.title,
+ reset=reset))
+ if label == IQ_DATA_LABEL or label == IQ_EXTRAPOLATED_DATA_LABEL:
+ wx.CallAfter(self.corfunc_panel.plot_qrange, active=active_ctrl,
+ leftdown=True)
+ if label == IQ_EXTRAPOLATED_DATA_LABEL:
+ # Zoom in to the region we're interested in
+ xlim = (min(self.corfunc_panel._extrapolated_data.x), self.corfunc_panel.qmax[1]*1.2)
+ wx.CallAfter(wx.PostEvent, self.parent, PlotLimitEvent(id=IQ_DATA_LABEL, group_id=GROUP_ID_IQ_DATA, xlim=xlim))
+
+ def clear_data(self):
+ wx.PostEvent(self.parent,
+ NewPlotEvent(action='delete', group_id=GROUP_ID_TRANSFORM))
+ wx.PostEvent(self.parent,
+ NewPlotEvent(action='clear', group_id=GROUP_ID_IQ_DATA))
+
+ def _on_select_data(self, event):
+ panel = event.GetEventObject()
+ if not panel.graph.selected_plottable in panel.plots:
+ return
+ data = panel.plots[panel.graph.selected_plottable]
+ self.set_data([data])
diff --git a/src/sas/sasgui/perspectives/corfunc/corfunc_panel.py b/src/sas/sasgui/perspectives/corfunc/corfunc_panel.py
new file mode 100644
index 0000000..789b1d4
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/corfunc_panel.py
@@ -0,0 +1,804 @@
+import wx
+import sys
+import os
+import numpy as np
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.guiframe.events import PlotQrangeEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import PanelOnFocusEvent
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.utils import check_float
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.perspectives.invariant.invariant_widgets import OutputTextCtrl
+from sas.sasgui.perspectives.invariant.invariant_widgets import InvTextCtrl
+from sas.sasgui.perspectives.fitting.basepage import ModelTextCtrl
+from sas.sasgui.perspectives.corfunc.corfunc_state import CorfuncState
+import sas.sasgui.perspectives.corfunc.corfunc
+from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+from plot_labels import *
+
+OUTPUT_STRINGS = {
+ 'max': "Long Period (A): ",
+ 'Lc': "Average Hard Block Thickness (A): ",
+ 'dtr': "Average Interface Thickness (A): ",
+ 'd0': "Average Core Thickness: ",
+ 'A': "Polydispersity: ",
+ 'fill': "Local Crystallinity: "
+}
+
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 350
+ PANEL_WIDTH = 400
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 390
+ PANEL_WIDTH = 430
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 1
+
+class CorfuncPanel(ScrolledPanel,PanelBase):
+ window_name = "Correlation Function"
+ window_caption = "Correlation Function"
+ CENTER_PANE = True
+
+ def __init__(self, parent, data=None, manager=None, *args, **kwds):
+ kwds["size"] = (PANEL_WIDTH, PANEL_HEIGHT)
+ kwds["style"] = wx.FULL_REPAINT_ON_RESIZE
+ ScrolledPanel.__init__(self, parent=parent, *args, **kwds)
+ PanelBase.__init__(self, parent)
+ self.SetupScrolling()
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self._manager = manager
+ # The data with no correction for background values
+ self._data = data # The data to be analysed (corrected fr background)
+ self._extrapolated_data = None # The extrapolated data set
+ self._transformed_data = None # Fourier trans. of the extrapolated data
+ self._calculator = CorfuncCalculator()
+ self._data_name_box = None # Text box to show name of file
+ self._background_input = None
+ self._qmin_input = None
+ self._qmax1_input = None
+ self._qmax2_input = None
+ self._extrapolate_btn = None
+ self._transform_btn = None
+ self._extract_btn = None
+ self.qmin = 0
+ self.qmax = (0, 0)
+ self.background = 0
+ self.extracted_params = None
+ self.transform_type = 'fourier'
+ self._extrapolation_outputs = {}
+ # Dictionary for saving refs to text boxes used to display output data
+ self._output_boxes = None
+ self.state = None
+ self._do_layout()
+ self._disable_inputs()
+ self.set_state()
+ self._qmin_input.Bind(wx.EVT_TEXT, self._on_enter_input)
+ self._qmax1_input.Bind(wx.EVT_TEXT, self._on_enter_input)
+ self._qmax2_input.Bind(wx.EVT_TEXT, self._on_enter_input)
+ self._qmin_input.Bind(wx.EVT_MOUSE_EVENTS, self._on_click_qrange)
+ self._qmax1_input.Bind(wx.EVT_MOUSE_EVENTS, self._on_click_qrange)
+ self._qmax2_input.Bind(wx.EVT_MOUSE_EVENTS, self._on_click_qrange)
+ self._background_input.Bind(wx.EVT_TEXT, self._on_enter_input)
+
+ def set_state(self, state=None, data=None):
+ """
+ Set the state of the panel. If no state is provided, the panel will
+ be set to the default state.
+
+ :param state: A CorfuncState object
+ :param data: A Data1D object
+ """
+ if state is None:
+ self.state = CorfuncState()
+ else:
+ self.state = state
+ if data is not None:
+ self.state.data = data
+ self.set_data(data, set_qrange=False)
+ if self.state.qmin is not None:
+ self.set_qmin(self.state.qmin)
+ if self.state.qmax is not None and self.state.qmax != (None, None):
+ self.set_qmax(tuple(self.state.qmax))
+ if self.state.background is not None:
+ self.set_background(self.state.background)
+ if self.state.is_extrapolated:
+ self.compute_extrapolation()
+ else:
+ return
+ if self.state.is_transformed:
+ self.transform_type = self.state.transform_type
+ self.compute_transform()
+ else:
+ return
+ if self.state.outputs is not None and self.state.outputs != {}:
+ self.set_extracted_params(self.state.outputs, reset=True)
+
+ def get_state(self):
+ """
+ Return the state of the panel
+ """
+ state = CorfuncState()
+ state.set_saved_state('qmin_tcl', self.qmin)
+ state.set_saved_state('qmax1_tcl', self.qmax[0])
+ state.set_saved_state('qmax2_tcl', self.qmax[1])
+ state.set_saved_state('background_tcl', self.background)
+ state.outputs = self.extracted_params
+ if self._data is not None:
+ state.file = self._data.title
+ state.data = self._data
+ if self._extrapolated_data is not None:
+ state.is_extrapolated = True
+ if self._transformed_data is not None:
+ state.is_transformed = True
+ state.transform_type = self.transform_type
+ self.state = state
+
+ return self.state
+
+ def onSetFocus(self, evt):
+ if evt is not None:
+ evt.Skip()
+ self._validate_inputs()
+
+ def set_data(self, data=None, set_qrange=True):
+ """
+ Update the GUI to reflect new data that has been loaded in
+
+ :param data: The data that has been loaded
+ """
+ if data is None:
+ self._disable_inputs()
+ # Reset outputs
+ self.set_extracted_params(reset=True)
+ self.set_extrapolation_params()
+ self._data = None
+ return
+ self._enable_inputs()
+ self._transform_btn.Disable()
+ self._extract_btn.Disable()
+ self._data_name_box.SetValue(str(data.title))
+ self._data = data
+ self._calculator.set_data(data)
+ # Reset the outputs
+ self.set_extracted_params(None, reset=True)
+ if self._manager is not None:
+ self._manager.clear_data()
+ self._manager.show_data(self._data, IQ_DATA_LABEL, reset=True)
+
+ if set_qrange:
+ lower = data.x[-1]*0.05
+ upper1 = data.x[-1] - lower*5
+ upper2 = data.x[-1]
+ self.set_qmin(lower)
+ self.set_qmax((upper1, upper2))
+ self._compute_background()
+
+ def get_data(self):
+ return self._data
+
+ def radio_changed(self, event=None):
+ """
+ Called when the "Transform type" radio button are changed
+ """
+ if event is not None:
+ self.transform_type = event.GetEventObject().GetName()
+
+ def compute_extrapolation(self, event=None):
+ """
+ Compute and plot the extrapolated data.
+ Called when Extrapolate button is pressed.
+ """
+ if not self._validate_inputs:
+ msg = "Invalid Q range entered."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ return
+
+ warning_msg = ""
+ if self.background < 0:
+ warning_msg += "Negative background value entered."
+ if any((self._data.y - self.background) < 0):
+ if warning_msg != "":
+ warning_msg += "\n"
+ warning_msg += "Background value results in negative Intensity values."
+ if warning_msg != "":
+ self._background_input.SetBackgroundColour('yellow')
+ wx.PostEvent(self._manager.parent, StatusEvent(status=warning_msg, info='warning'))
+ else:
+ self._background_input.SetBackgroundColour(wx.WHITE)
+ self._background_input.Refresh()
+
+ self._calculator.set_data(self._data)
+ self._calculator.lowerq = self.qmin
+ self._calculator.upperq = self.qmax
+ self._calculator.background = self.background
+
+ try:
+ params, self._extrapolated_data = self._calculator.compute_extrapolation()
+ except Exception as e:
+ msg = "Error extrapolating data:\n"
+ msg += str(e)
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="error"))
+ self._transform_btn.Disable()
+ return
+ self._manager.show_data(self._extrapolated_data, IQ_EXTRAPOLATED_DATA_LABEL)
+ # Update state of the GUI
+ self._transform_btn.Enable()
+ self._extract_btn.Disable()
+ self.set_extracted_params(reset=True)
+ self.set_extrapolation_params(params)
+
+ def compute_transform(self, event=None):
+ """
+ Compute and plot the transformed data.
+ Called when Transform button is pressed.
+ """
+ if not self._calculator.transform_isrunning():
+ self._calculator.compute_transform(self._extrapolated_data,
+ self.transform_type, background=self.background,
+ completefn=self.transform_complete,
+ updatefn=self.transform_update)
+
+ self._transform_btn.SetLabel("Stop Transform")
+ else:
+ self._calculator.stop_transform()
+ self.transform_update("Transform cancelled.")
+ self._transform_btn.SetLabel("Transform")
+
+ def transform_update(self, msg=""):
+ """
+ Called from FourierThread to update on status of calculation
+ """
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg))
+
+ def transform_complete(self, transform=None):
+ """
+ Called from FourierThread when calculation has completed
+ """
+ self._transform_btn.SetLabel("Transform")
+ if transform is None:
+ msg = "Error calculating Transform."
+ if self.transform_type == 'hilbert':
+ msg = "Not yet implemented"
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="Error"))
+ self._extract_btn.Disable()
+ return
+ self._transformed_data = transform
+ import numpy as np
+ plot_x = transform.x[np.where(transform.x <= 200)]
+ plot_y = transform.y[np.where(transform.x <= 200)]
+ self._manager.show_data(Data1D(plot_x, plot_y), TRANSFORM_LABEL1)
+ # Only enable extract params button if a fourier trans. has been done
+ if self.transform_type == 'fourier':
+ self._extract_btn.Enable()
+ else:
+ self._extract_btn.Disable()
+
+ def extract_parameters(self, event=None):
+ """
+ Called when "Extract Parameters" is clicked
+ """
+ try:
+ params = self._calculator.extract_parameters(self._transformed_data)
+ except:
+ params = None
+ if params is None:
+ msg = "Error extracting parameters."
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="Error"))
+ return
+ self.set_extracted_params(params)
+
+ def on_help(self, event=None):
+ """
+ Show the corfunc documentation
+ """
+ tree_location = "user/sasgui/perspectives/corfunc/corfunc_help.html"
+ doc_viewer = DocumentationWindow(self, -1, tree_location, "",
+ "Correlation Function Help")
+
+ def get_save_flag(self):
+ if self._data is not None:
+ return True
+ return False
+
+ def on_set_focus(self, event=None):
+ if self._manager.parent is not None:
+ wx.PostEvent(self._manager.parent, PanelOnFocusEvent(panel=self))
+
+ def on_save(self, event=None):
+ """
+ Save corfunc state into a file
+ """
+ # Ask the user the location of the file to write to.
+ path = None
+ default_save_location = os.getcwd()
+ if self._manager.parent != None:
+ default_save_location = self._manager.parent.get_save_location()
+
+ dlg = wx.FileDialog(self, "Choose a file",
+ default_save_location, \
+ self.window_caption, "*.crf", wx.SAVE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ default_save_location = os.path.dirname(path)
+ if self._manager.parent != None:
+ self._manager.parent._default_save_location = default_save_location
+ else:
+ return None
+
+ dlg.Destroy()
+ # MAC always needs the extension for saving
+ extens = ".crf"
+ # Make sure the ext included in the file name
+ f_name = os.path.splitext(path)[0] + extens
+ self._manager.state_reader.write(f_name, self._data, self.get_state())
+
+ def save_project(self, doc=None):
+ """
+ Return an XML node containing the state of the panel
+
+ :param doc: Am xml node to attach the project state to (optional)
+ """
+ data = self._data
+ state = self.get_state()
+ if data is not None:
+ new_doc, sasentry = self._manager.state_reader._to_xml_doc(data)
+ new_doc = state.toXML(doc=new_doc, entry_node=sasentry)
+ if new_doc is not None:
+ if doc is not None and hasattr(doc, "firstChild"):
+ child = new_doc.getElementsByTagName("SASentry")
+ for item in child:
+ doc.firstChild.appendChild(item)
+ else:
+ doc = new_doc
+ return doc
+
+ def set_qmin(self, qmin):
+ self.qmin = qmin
+ self._qmin_input.SetValue(str(qmin))
+
+ def set_qmax(self, qmax):
+ self.qmax = qmax
+ self._qmax1_input.SetValue(str(qmax[0]))
+ self._qmax2_input.SetValue(str(qmax[1]))
+
+ def set_background(self, bg):
+ self.background = bg
+ self._background_input.SetValue(str(bg))
+ self._calculator.background = bg
+
+ def set_extrapolation_params(self, params=None):
+ """
+ Displays the value of the parameters calculated in the extrapolation
+ """
+ if params is None:
+ # Reset outputs
+ for output in self._extrapolation_outputs.values():
+ output.SetValue('-')
+ return
+ for key, value in params.iteritems():
+ output = self._extrapolation_outputs[key]
+ rounded = self._round_sig_figs(value, 6)
+ output.SetValue(rounded)
+
+
+ def set_extracted_params(self, params=None, reset=False):
+ """
+ Displays the values of the parameters extracted from the Fourier
+ transform
+ """
+ self.extracted_params = params
+ error = False
+ if params is None:
+ if not reset: error = True
+ for output in self._output_boxes.values():
+ output.SetValue('-')
+ else:
+ if len(params) < len(OUTPUT_STRINGS):
+ # Not all parameters were calculated
+ error = True
+ for key, value in params.iteritems():
+ rounded = self._round_sig_figs(value, 6)
+ self._output_boxes[key].SetValue(rounded)
+ if error:
+ msg = 'Not all parameters were able to be calculated'
+ wx.PostEvent(self._manager.parent, StatusEvent(
+ status=msg, info='error'))
+
+ def plot_qrange(self, active=None, leftdown=False):
+ if active is None:
+ active = self._qmin_input
+ wx.PostEvent(self._manager.parent, PlotQrangeEvent(
+ ctrl=[self._qmin_input, self._qmax1_input, self._qmax2_input],
+ active=active, id=IQ_DATA_LABEL, is_corfunc=True,
+ group_id=GROUP_ID_IQ_DATA, leftdown=leftdown))
+
+
+ def _compute_background(self, event=None):
+ """
+ Compute the background level based on the position of the upper q bars
+ """
+ if event is not None:
+ event.Skip()
+ self._on_enter_input()
+ try:
+ bg = self._calculator.compute_background(self.qmax)
+ self.set_background(bg)
+ except Exception as e:
+ msg = "Error computing background level:\n"
+ msg += str(e)
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="error"))
+
+ def _on_enter_input(self, event=None):
+ """
+ Read values from input boxes and save to memory.
+ """
+ if event is not None: event.Skip()
+ if not self._validate_inputs():
+ return
+ self.qmin = float(self._qmin_input.GetValue())
+ new_qmax1 = float(self._qmax1_input.GetValue())
+ new_qmax2 = float(self._qmax2_input.GetValue())
+ self.qmax = (new_qmax1, new_qmax2)
+ self.background = float(self._background_input.GetValue())
+ self._calculator.background = self.background
+ if event is not None:
+ active_ctrl = event.GetEventObject()
+ if active_ctrl == self._background_input:
+ self._manager.show_data(self._data, IQ_DATA_LABEL,
+ reset=False, active_ctrl=active_ctrl)
+
+ def _on_click_qrange(self, event=None):
+ if event is None:
+ return
+ event.Skip()
+ if not self._validate_inputs(): return
+ self.plot_qrange(active=event.GetEventObject(),
+ leftdown=event.LeftDown())
+
+ def _validate_inputs(self):
+ """
+ Check that the values for qmin and qmax in the input boxes are valid
+ """
+ if self._data is None:
+ return False
+ qmin_valid = check_float(self._qmin_input)
+ qmax1_valid = check_float(self._qmax1_input)
+ qmax2_valid = check_float(self._qmax2_input)
+ qmax_valid = qmax1_valid and qmax2_valid
+ background_valid = check_float(self._background_input)
+ msg = ""
+ if (qmin_valid and qmax_valid and background_valid):
+ qmin = float(self._qmin_input.GetValue())
+ qmax1 = float(self._qmax1_input.GetValue())
+ qmax2 = float(self._qmax2_input.GetValue())
+ background = float(self._background_input.GetValue())
+ if not qmin > self._data.x.min():
+ msg = "qmin must be greater than the lowest q value"
+ qmin_valid = False
+ elif qmax2 < qmax1:
+ msg = "qmax1 must be less than qmax2"
+ qmax_valid = False
+ elif qmin > qmax1:
+ msg = "qmin must be less than qmax"
+ qmin_valid = False
+ elif background > self._data.y.max():
+ msg = "background must be less than highest I"
+ background_valid = False
+ if not qmin_valid:
+ self._qmin_input.SetBackgroundColour('pink')
+ if not qmax_valid:
+ self._qmax1_input.SetBackgroundColour('pink')
+ self._qmax2_input.SetBackgroundColour('pink')
+ if not background_valid:
+ self._background_input.SetBackgroundColour('pink')
+ if msg != "":
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ if (qmin_valid and qmax_valid and background_valid):
+ self._qmin_input.SetBackgroundColour(wx.WHITE)
+ self._qmax1_input.SetBackgroundColour(wx.WHITE)
+ self._qmax2_input.SetBackgroundColour(wx.WHITE)
+ self._background_input.SetBackgroundColour(wx.WHITE)
+ self._qmin_input.Refresh()
+ self._qmax1_input.Refresh()
+ self._qmax2_input.Refresh()
+ self._background_input.Refresh()
+ return (qmin_valid and qmax_valid and background_valid)
+
+ def _do_layout(self):
+ """
+ Draw the window content
+ """
+ vbox = wx.GridBagSizer(0,0)
+
+ # I(q) data box
+ databox = wx.StaticBox(self, -1, "I(Q) Data Source")
+ databox_sizer = wx.StaticBoxSizer(databox, wx.VERTICAL)
+
+ file_sizer = wx.GridBagSizer(5, 5)
+
+ y = 0
+
+ file_name_label = wx.StaticText(self, -1, "Name:")
+ file_sizer.Add(file_name_label, (0, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ self._data_name_box = OutputTextCtrl(self, -1,
+ size=(300,20))
+ file_sizer.Add(self._data_name_box, (0, 1), (1, 1),
+ wx.CENTER | wx.ADJUST_MINSIZE, 15)
+
+ file_sizer.AddSpacer((1, 25), pos=(0,2))
+ databox_sizer.Add(file_sizer, wx.TOP, 15)
+
+ vbox.Add(databox_sizer, (y, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE | wx.TOP, 15)
+ y += 1
+
+ # Parameters
+ qbox = wx.StaticBox(self, -1, "Input Parameters")
+ qbox_sizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
+ qbox_sizer.SetMinSize((_STATICBOX_WIDTH, 75))
+
+ q_sizer = wx.GridBagSizer(5, 5)
+
+ # Explanation
+ explanation_txt = ("Corfunc will use all values in the lower range for"
+ " Guinier back extrapolation, and all values in the upper range "
+ "for Porod forward extrapolation.")
+ explanation_label = wx.StaticText(self, -1, explanation_txt,
+ size=(_STATICBOX_WIDTH, 60))
+
+ q_sizer.Add(explanation_label, (0,0), (1,4), wx.LEFT | wx.EXPAND, 5)
+
+ qrange_label = wx.StaticText(self, -1, "Q Range:", size=(50,20))
+ q_sizer.Add(qrange_label, (1,0), (1,1), wx.LEFT | wx.EXPAND, 5)
+
+ # Lower Q Range
+ qmin_label = wx.StaticText(self, -1, "Lower:", size=(50,20))
+ qmin_dash_label = wx.StaticText(self, -1, "-", size=(10,20),
+ style=wx.ALIGN_CENTER_HORIZONTAL)
+
+ qmin_lower = OutputTextCtrl(self, -1, size=(75, 20), value="0.0")
+ self._qmin_input = ModelTextCtrl(self, -1, size=(75, 20),
+ style=wx.TE_PROCESS_ENTER, name='qmin_input',
+ text_enter_callback=self._on_enter_input)
+ self._qmin_input.SetToolTipString(("Values with q < qmin will be used "
+ "for Guinier back extrapolation"))
+
+ q_sizer.Add(qmin_label, (2, 0), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ q_sizer.Add(qmin_lower, (2, 1), (1, 1), wx.LEFT, 5)
+ q_sizer.Add(qmin_dash_label, (2, 2), (1, 1), wx.CENTER | wx.EXPAND, 5)
+ q_sizer.Add(self._qmin_input, (2, 3), (1, 1), wx.LEFT, 5)
+
+ # Upper Q range
+ qmax_tooltip = ("Values with qmax1 < q < qmax2 will be used for Porod"
+ " forward extrapolation")
+
+ qmax_label = wx.StaticText(self, -1, "Upper:", size=(50,20))
+ qmax_dash_label = wx.StaticText(self, -1, "-", size=(10,20),
+ style=wx.ALIGN_CENTER_HORIZONTAL)
+
+ self._qmax1_input = ModelTextCtrl(self, -1, size=(75, 20),
+ style=wx.TE_PROCESS_ENTER, name="qmax1_input",
+ text_enter_callback=self._on_enter_input)
+ self._qmax1_input.SetToolTipString(qmax_tooltip)
+ self._qmax2_input = ModelTextCtrl(self, -1, size=(75, 20),
+ style=wx.TE_PROCESS_ENTER, name="qmax2_input",
+ text_enter_callback=self._on_enter_input)
+ self._qmax2_input.SetToolTipString(qmax_tooltip)
+
+ q_sizer.Add(qmax_label, (3, 0), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ q_sizer.Add(self._qmax1_input, (3, 1), (1, 1), wx.LEFT, 5)
+ q_sizer.Add(qmax_dash_label, (3, 2), (1, 1), wx.CENTER | wx.EXPAND, 5)
+ q_sizer.Add(self._qmax2_input, (3,3), (1, 1), wx.LEFT, 5)
+
+ qbox_sizer.Add(q_sizer, wx.TOP, 0)
+
+ vbox.Add(qbox_sizer, (y, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ y += 1
+
+ extrapolation_box = wx.StaticBox(self, -1, "Extrapolation Parameters")
+ extrapolation_sizer = wx.StaticBoxSizer(extrapolation_box, wx.VERTICAL)
+ params_sizer = wx.GridBagSizer(5, 5)
+
+ guinier_label = wx.StaticText(self, -1, "Guinier:")
+ params_sizer.Add(guinier_label, (0, 0), (1,1),
+ wx.ALL | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ a_label = wx.StaticText(self, -1, "A: ")
+ params_sizer.Add(a_label, (1, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+
+ a_output = OutputTextCtrl(self, wx.NewId(),
+ value="-", style=wx.ALIGN_CENTER_HORIZONTAL)
+ params_sizer.Add(a_output, (1, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ self._extrapolation_outputs['A'] = a_output
+
+ b_label = wx.StaticText(self, -1, "B: ")
+ params_sizer.Add(b_label, (2, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+
+ b_output = OutputTextCtrl(self, wx.NewId(),
+ value="-", style=wx.ALIGN_CENTER_HORIZONTAL)
+ params_sizer.Add(b_output, (2, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ self._extrapolation_outputs['B'] = b_output
+
+ porod_label = wx.StaticText(self, -1, "Porod: ")
+ params_sizer.Add(porod_label, (0, 2), (1, 1),
+ wx.ALL | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ k_label = wx.StaticText(self, -1, "K: ")
+ params_sizer.Add(k_label, (1, 2), (1, 1), wx.LEFT | wx.EXPAND, 15)
+
+ k_output = OutputTextCtrl(self, wx.NewId(),
+ value="-", style=wx.ALIGN_CENTER_HORIZONTAL)
+ params_sizer.Add(k_output, (1, 3), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ self._extrapolation_outputs['K'] = k_output
+
+ sigma_label = wx.StaticText(self, -1, u'\u03C3: ')
+ params_sizer.Add(sigma_label, (2, 2), (1, 1), wx.LEFT | wx.EXPAND, 15)
+
+ sigma_output = OutputTextCtrl(self, wx.NewId(),
+ value="-", style=wx.ALIGN_CENTER_HORIZONTAL)
+ params_sizer.Add(sigma_output, (2, 3), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ self._extrapolation_outputs['sigma'] = sigma_output
+
+ bg_label = wx.StaticText(self, -1, "Bg: ")
+ params_sizer.Add(bg_label, (3, 2), (1, 1), wx.LEFT | wx.EXPAND, 15)
+
+ self._background_input = ModelTextCtrl(self, -1, value="0.0",
+ style=wx.TE_PROCESS_ENTER | wx.TE_CENTRE, name='background_input',
+ text_enter_callback=self._on_enter_input)
+ self._background_input.SetToolTipString(("A background value to "
+ "subtract from all intensity values"))
+ params_sizer.Add(self._background_input, (3, 3), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+
+ background_button = wx.Button(self, wx.NewId(), "Calculate Bg",
+ size=(75, -1))
+ background_button.Bind(wx.EVT_BUTTON, self._compute_background)
+ params_sizer.Add(background_button, (4,3), (1, 1), wx.EXPAND | wx.RIGHT, 15)
+
+ extrapolation_sizer.Add(params_sizer)
+ vbox.Add(extrapolation_sizer, (y, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ y += 1
+
+ # Transform type
+ transform_box = wx.StaticBox(self, -1, "Transform Type")
+ transform_sizer = wx.StaticBoxSizer(transform_box, wx.VERTICAL)
+
+ radio_sizer = wx.GridBagSizer(5,5)
+
+ fourier_btn = wx.RadioButton(self, -1, "Fourier", name='fourier',
+ style=wx.RB_GROUP)
+ hilbert_btn = wx.RadioButton(self, -1, "Hilbert", name='hilbert')
+
+ fourier_btn.Bind(wx.EVT_RADIOBUTTON, self.radio_changed)
+ hilbert_btn.Bind(wx.EVT_RADIOBUTTON, self.radio_changed)
+
+ radio_sizer.Add(fourier_btn, (0,0), (1,1), wx.LEFT | wx.EXPAND)
+ radio_sizer.Add(hilbert_btn, (0,1), (1,1), wx.RIGHT | wx.EXPAND)
+
+ transform_sizer.Add(radio_sizer, wx.TOP, 0)
+ vbox.Add(transform_sizer, (y, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ y += 1
+
+ # Output data
+ outputbox = wx.StaticBox(self, -1, "Output Parameters")
+ outputbox_sizer = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
+
+ output_sizer = wx.GridBagSizer(5, 5)
+
+ self._output_boxes = dict()
+ i = 0
+ for key, value in OUTPUT_STRINGS.iteritems():
+ # Create a label and a text box for each poperty
+ label = wx.StaticText(self, -1, value)
+ output_box = OutputTextCtrl(self, wx.NewId(),
+ value="-", style=wx.ALIGN_CENTER_HORIZONTAL)
+ # Save the ID of each of the text boxes for accessing after the
+ # output data has been calculated
+ self._output_boxes[key] = output_box
+ output_sizer.Add(label, (i, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ output_sizer.Add(output_box, (i, 2), (1, 1),
+ wx.RIGHT | wx.EXPAND, 15)
+ i += 1
+
+ outputbox_sizer.Add(output_sizer, wx.TOP, 0)
+
+ vbox.Add(outputbox_sizer, (y, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ y += 1
+
+ # Controls
+ controlbox = wx.StaticBox(self, -1, "Controls")
+ controlbox_sizer = wx.StaticBoxSizer(controlbox, wx.VERTICAL)
+
+ controls_sizer = wx.BoxSizer(wx.VERTICAL)
+
+ self._extrapolate_btn = wx.Button(self, wx.NewId(), "Extrapolate")
+ self._transform_btn = wx.Button(self, wx.NewId(), "Transform")
+ self._extract_btn = wx.Button(self, wx.NewId(), "Compute Parameters")
+ help_btn = wx.Button(self, -1, "HELP")
+
+ self._transform_btn.Disable()
+ self._extract_btn.Disable()
+
+ self._extrapolate_btn.Bind(wx.EVT_BUTTON, self.compute_extrapolation)
+ self._transform_btn.Bind(wx.EVT_BUTTON, self.compute_transform)
+ self._extract_btn.Bind(wx.EVT_BUTTON, self.extract_parameters)
+ help_btn.Bind(wx.EVT_BUTTON, self.on_help)
+
+ controls_sizer.Add(self._extrapolate_btn, wx.CENTER | wx.EXPAND)
+ controls_sizer.Add(self._transform_btn, wx.CENTER | wx.EXPAND)
+ controls_sizer.Add(self._extract_btn, wx.CENTER | wx.EXPAND)
+ controls_sizer.Add(help_btn, wx.CENTER | wx.EXPAND)
+
+ controlbox_sizer.Add(controls_sizer, wx.TOP | wx.EXPAND, 0)
+ vbox.Add(controlbox_sizer, (y, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+
+ self.SetSizer(vbox)
+
+ def _disable_inputs(self):
+ """
+ Disable all input fields
+ """
+ self._qmin_input.Disable()
+ self._qmax1_input.Disable()
+ self._qmax2_input.Disable()
+ self._background_input.Disable()
+ self._extrapolate_btn.Disable()
+
+ def _enable_inputs(self):
+ """
+ Enable all input fields
+ """
+ self._qmin_input.Enable()
+ self._qmax1_input.Enable()
+ self._qmax2_input.Enable()
+ self._background_input.Enable()
+ self._extrapolate_btn.Enable()
+
+ def _round_sig_figs(self, x, sigfigs):
+ """
+ Round a number to a given number of significant figures.
+
+ :param x: The value to round
+ :param sigfigs: How many significant figures to round to
+ :return rounded_str: x rounded to the given number of significant
+ figures, as a string
+ """
+ rounded_str = ""
+ try:
+ # Index of first significant digit
+ significant_digit = -int(np.floor(np.log10(np.abs(x))))
+
+ if np.abs(significant_digit > 4):
+ # Use scientific notation if x > 1e5 or x < 1e4
+ rounded_str = "{1:.{0}E}".format(sigfigs-1, x)
+ else:
+ # Format as a standard decimal
+ # Number of digits required for correct number of sig figs
+ digits = significant_digit + (sigfigs - 1)
+ rounded = np.round(x, decimals=digits)
+ rounded_str = "{1:.{0}f}".format(sigfigs -1 + significant_digit,
+ rounded)
+ except:
+ # Method for finding significant_digit fails if x is 0 (since log10(0)=inf)
+ if x == 0.0:
+ rounded_str = "0.0"
+ else:
+ rounded_str = "-"
+
+ return rounded_str
diff --git a/src/sas/sasgui/perspectives/corfunc/corfunc_state.py b/src/sas/sasgui/perspectives/corfunc/corfunc_state.py
new file mode 100644
index 0000000..af101cd
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/corfunc_state.py
@@ -0,0 +1,363 @@
+import time
+import sys
+import os
+import logging
+import sas.sascalc.dataloader
+from lxml import etree
+from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader
+from sas.sascalc.dataloader.readers.cansas_reader import get_content
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sascalc.dataloader.data_info import Data1D as LoaderData1D
+from sas.sascalc.dataloader.loader import Loader
+
+CORNODE_NAME = 'corfunc'
+CANSAS_NS = 'cansas1d/1.0'
+
+# The default state
+DEFAULT_STATE = {
+ 'qmin_tcl': None,
+ 'qmax1_tcl': None,
+ 'qmax2_tcl': None,
+ 'background_tcl': None
+}
+
+# List of output parameters, used by __str__
+output_list = [
+ ['max', "Long Period (A): "],
+ ['Lc', "Average Hard Block Thickness (A): "],
+ ['dtr', "Average Interface Thickness (A): "],
+ ['d0', "Average Core Thickness: "],
+ ['A', "PolyDispersity: "],
+ ['fill', "Filling Fraction: "]
+]
+
+class CorfuncState(object):
+ """
+ Stores information about the state of CorfuncPanel
+ """
+
+ def __init__(self):
+ # Inputs
+ self.file = None
+ self.data = None
+ self.qmin = None
+ self.qmax = [0, 0]
+ self.background = None
+ self.outputs = {}
+ self.is_extrapolated = False
+ self.transform_type = 'fourier'
+ self.is_transformed = False
+
+ self.saved_state = DEFAULT_STATE
+ self.timestamp = time.time()
+
+ # Raw Data
+ self.q = None
+ self.iq = None
+ # TODO: Add extrapolated data and transformed data (when implemented)
+
+ def __str__(self):
+ """
+ Pretty print the state
+
+ :return: A string representing the state
+ """
+ state = "File: {}\n".format(self.file)
+ state += "Timestamp: {}\n".format(self.timestamp)
+ state += "Qmin: {}\n".format(str(self.qmin))
+ state += "Qmax: {}\n".format(str(self.qmax))
+ state += "Background: {}\n".format(str(self.background))
+
+ if self.outputs != {} and self.outputs is not None:
+ state += "\nOutputs:\n"
+ for key, value in self.outputs.iteritems():
+ name = output_list[key][1]
+ state += "{}: {}\n".format(name, str(value))
+
+ return state
+
+ def set_saved_state(self, name, value):
+ """
+ Set a value in the current state.
+
+ :param name: The name of the parameter to set
+ :param value: The value to set the parameter to
+ """
+ self.saved_state[name] = value
+ if name == 'qmin_tcl':
+ self.qmin = value
+ elif name == 'qmax1_tcl':
+ self.qmax[0] = value
+ elif name == 'qmax2_tcl':
+ self.qmax[1] = value
+ elif name == 'background_tcl':
+ self.background = value
+
+ def toXML(self, filename='corfunc_state.crf', doc=None, entry_node=None):
+ """
+ Writes the state of the CorfuncPanel panel to file, as XML.
+
+ Compatible with standalone writing, or appending to an
+ already existing XML document. In that case, the XML document
+ is required. An optional entry node in the XML document
+ may also be given.
+
+ :param file: file to write to
+ :param doc: XML document object [optional]
+ :param entry_node: XML node within the XML document at which
+ we will append the data [optional]
+
+ :return: None if no doc is provided, modified XML document if doc!=None
+ """
+ from xml.dom.minidom import getDOMImplementation
+
+ top_element = None
+ new_doc = None
+ if doc is None:
+ # Create a new XML document
+ impl = getDOMImplementation()
+ doc_type = impl.createDocumentType(CORNODE_NAME, "1.0", "1.0")
+ new_doc = impl.createDocument(None, CORNODE_NAME, doc_type)
+ top_element = new_doc.documentElement
+ else:
+ # Create a new element in the document provided
+ top_element = doc.createElement(CORNODE_NAME)
+ if entry_node is None:
+ doc.documentElement.appendChild(top_element)
+ else:
+ entry_node.appendChild(top_element)
+ new_doc = doc
+
+ # Version
+ attr = new_doc.createAttribute("version")
+ attr.nodeValue = '1.0'
+ top_element.setAttributeNode(attr)
+
+ # Filename
+ element = new_doc.createElement("filename")
+ if self.file is not None and self.file != '':
+ element.appendChild(new_doc.createTextNode(str(self.file)))
+ else:
+ element.appendChild(new_doc.createTextNode(str(filename)))
+ top_element.appendChild(element)
+
+ # Timestamp
+ element = new_doc.createElement("timestamp")
+ # Pretty printed format
+ element.appendChild(new_doc.createTextNode(time.ctime(self.timestamp)))
+ attr = new_doc.createAttribute("epoch")
+ # Epoch value (used in self.fromXML)
+ attr.nodeValue = str(self.timestamp)
+ element.setAttributeNode(attr)
+ top_element.appendChild(element)
+
+ # Current state
+ state = new_doc.createElement("state")
+ top_element.appendChild(state)
+ for name, value in self.saved_state.iteritems():
+ element = new_doc.createElement(name)
+ element.appendChild(new_doc.createTextNode(str(value)))
+ state.appendChild(element)
+
+ # Whether or not the extrapolate & transform buttons have been clicked
+ element = new_doc.createElement("is_extrapolated")
+ top_element.appendChild(element)
+ element.appendChild(new_doc.createTextNode(str(int(self.is_extrapolated))))
+
+ element = new_doc.createElement("is_transformed")
+ top_element.appendChild(element)
+ element.appendChild(new_doc.createTextNode(str(int(self.is_transformed))))
+
+ if self.is_transformed:
+ element = new_doc.createElement("transform_type")
+ top_element.appendChild(element)
+ element.appendChild(new_doc.createTextNode(self.transform_type))
+
+ # Output parameters
+ if self.outputs != {} and self.outputs is not None:
+ output = new_doc.createElement("output")
+ top_element.appendChild(output)
+ for key, value in self.outputs.iteritems():
+ element = new_doc.createElement(key)
+ element.appendChild(new_doc.createTextNode(str(value)))
+ output.appendChild(element)
+
+ # Save the file or return the original document with the state
+ # data appended
+ if doc is None:
+ fd = open(filename, 'w')
+ fd.write(new_doc.toprettyxml())
+ fd.close()
+ return None
+ else:
+ return new_doc
+
+
+ def fromXML(self, node):
+ """
+ Load corfunc states from a file
+
+ :param node: node of an XML document to read from (optional)
+ """
+ if node.get('version') and node.get('version') == '1.0':
+ # Parse filename
+ entry = get_content('ns:filename', node)
+ if entry is not None:
+ self.file = entry.text.strip()
+
+ # Parse timestamp
+ entry = get_content('ns:timestamp', node)
+ if entry is not None and entry.get('epoch'):
+ try:
+ self.timestamp = (entry.get('epoch'))
+ except:
+ msg = ("CorfuncState.fromXML: Could not read timestamp",
+ "\n{}").format(sys.exc_value)
+ logging.error(msg)
+
+ # Parse current state
+ entry = get_content('ns:state', node)
+ if entry is not None:
+ for item in DEFAULT_STATE.iterkeys():
+ input_field = get_content("ns:{}".format(item), entry)
+ if input_field is not None:
+ try:
+ value = float(input_field.text.strip())
+ except:
+ value = None
+ self.set_saved_state(name=item, value=value)
+
+ # Parse is_extrapolated and is_transformed
+ entry = get_content('ns:is_extrapolated', node)
+ if entry is not None:
+ self.is_extrapolated = bool(int(entry.text.strip()))
+ entry = get_content('ns:is_transformed', node)
+ if entry is not None:
+ self.is_transformed = bool(int(entry.text.strip()))
+ entry = get_content('ns:transform_type', node)
+ self.transform_type = entry.text.strip()
+
+ # Parse outputs
+ entry = get_content('ns:output', node)
+ if entry is not None:
+ for item in output_list:
+ parameter = get_content("ns:{}".format(item[0]), entry)
+ if parameter is not None:
+ self.outputs[item[0]] = float(parameter.text.strip())
+
+
+
+class Reader(CansasReader):
+ """
+ Reads a CanSAS file containing the state of a CorfuncPanel
+ """
+
+ type_name = "Corfunc"
+
+ type = ["Corfunc file (*.crf)|*.crf",
+ "SASView file (*.svs)|*.svs"]
+
+ ext = ['.crf', '.CRF', '.svs', '.SVS']
+
+ def __init__(self, callback):
+ self.callback = callback
+ self.state = None
+
+ def read(self, path):
+ """
+ Load data and corfunc information frmo a CanSAS file.
+
+ :param path: The file path to read from
+ :return: Data1D object, a list of Data1D objects, or None
+ :raise IOError: When the file can't be found
+ :raise IOError: When the file is an invalid file type
+ :raise ValueError: When the length of the data vectors are inconsistent
+ """
+ output = []
+ if os.path.isfile(path):
+ # Load file
+ basename = os.path.basename(path)
+ root, ext = os.path.splitext(basename)
+ if not ext.lower() in self.ext:
+ raise IOError, "{} is not a supported file type".format(ext)
+ tree = etree.parse(path, parser=etree.ETCompatXMLParser())
+ root = tree.getroot()
+ entry_list = root.xpath('/ns:SASroot/ns:SASentry',
+ namespaces={'ns': CANSAS_NS})
+ for entry in entry_list:
+ sas_entry, _ = self._parse_entry(entry)
+ corstate = self._parse_state(entry)
+
+ if corstate != None:
+ sas_entry.meta_data['corstate'] = corstate
+ sas_entry.filename = corstate.file
+ output.append(sas_entry)
+ else:
+ # File not found
+ msg = "{} is not a valid file path or doesn't exist".format(path)
+ raise IOError, msg
+
+ if len(output) == 0:
+ return None
+ elif len(output) == 1:
+ self.callback(output[0].meta_data['corstate'], datainfo=output[0])
+ return output[0]
+ else:
+ return output
+
+ def write(self, filename, datainfo=None, state=None):
+ """
+ Write the content of a Data1D as a CanSAS file.
+
+ : param filename: Name of the file to write
+ : param datainfo: Data1D object
+ : param state: CorfuncState object
+ """
+ # Prepare datainfo
+ if datainfo is None:
+ datainfo = Data1D(x=[], y=[])
+ elif not (isinstance(datainfo, Data1D) or isinstance(datainfo, LoaderData1D)):
+ msg = ("The CanSAS writer expects a Data1D instance. {} was "
+ "provided").format(datainfo.__class__.__name__)
+ raise RuntimeError, msg
+ if datainfo.title is None or datainfo.title == '':
+ datainfo.title = datainfo.name
+ if datainfo.run_name == None or datainfo.run_name == '':
+ datainfo.run = [str(datainfo.name)]
+ datainfo.run_name[0] = datainfo.name
+
+ # Create the XMl doc
+ doc, sasentry = self._to_xml_doc(datainfo)
+ if state is not None:
+ doc = state.toXML(doc=doc, entry_node=sasentry)
+
+ # Write the XML doc to a file
+ fd = open(filename, 'w')
+ fd.write(doc.toprettyxml())
+ fd.close()
+
+ def get_state(self):
+ return self.state
+
+
+ def _parse_state(self, entry):
+ """
+ Read state data from an XML node
+
+ :param entry: The XML node to read from
+ :return: CorfuncState object
+ """
+ state = None
+ try:
+ nodes = entry.xpath('ns:{}'.format(CORNODE_NAME),
+ namespaces={'ns': CANSAS_NS})
+ if nodes != []:
+ state = CorfuncState()
+ state.fromXML(nodes[0])
+ except:
+ msg = "XML document does not contain CorfuncState information\n{}"
+ msg.format(sys.exc_value)
+ logging.info(msg)
+ return state
diff --git a/src/sas/sasgui/perspectives/corfunc/media/Fibre_Diffraction_Review_1994_3_25-29.pdf b/src/sas/sasgui/perspectives/corfunc/media/Fibre_Diffraction_Review_1994_3_25-29.pdf
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diff --git a/src/sas/sasgui/perspectives/corfunc/media/Fibre_Diffraction_Review_2004_12_24.pdf b/src/sas/sasgui/perspectives/corfunc/media/Fibre_Diffraction_Review_2004_12_24.pdf
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diff --git a/src/sas/sasgui/perspectives/corfunc/media/Fibre_Diffraction_Review_2005_13_19-22.pdf b/src/sas/sasgui/perspectives/corfunc/media/Fibre_Diffraction_Review_2005_13_19-22.pdf
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diff --git a/src/sas/sasgui/perspectives/corfunc/media/corfunc_help.rst b/src/sas/sasgui/perspectives/corfunc/media/corfunc_help.rst
new file mode 100644
index 0000000..e5baa6d
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/media/corfunc_help.rst
@@ -0,0 +1,225 @@
+.. corfunc_help.rst
+
+.. _Correlation_Function_Analysis:
+
+Correlation Function Analysis
+=============================
+
+Description
+-----------
+
+This performs a correlation function analysis of one-dimensional
+SAXS/SANS data, or generates a model-independent volume fraction
+profile from the SANS from an adsorbed polymer/surfactant layer.
+
+A correlation function may be interpreted in terms of an imaginary rod moving
+through the structure of the material. Γ\ :sub:`1D`\ (R) is the probability that
+a rod of length R moving through the material has equal electron/neutron scattering
+length density at either end. Hence a frequently occurring spacing within a structure
+manifests itself as a peak.
+
+A volume fraction profile :math:`\Phi`\ (z) describes how the density of polymer segments/surfactant molecules varies with distance from an (assumed locally flat) interface.
+
+Both functions are returned in *real space*.
+
+The analysis is performed in 3 stages:
+
+* Extrapolation of the scattering curve to :math:`Q = 0` and
+ :math:`Q = \infty`
+* Smoothed merging of the two extrapolations into the original data
+* Fourier / Hilbert Transform of the smoothed data to give the correlation
+ function / volume fraction profile, respectively
+* (Optional) Interpretation of the 1D correlation function based on an ideal
+ lamellar morphology
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Extrapolation
+-------------
+
+To :math:`Q = 0`
+................
+
+The data are extrapolated to Q = 0 by fitting a Guinier model to the data
+points in the low-Q range.
+
+The equation used is:
+
+.. math::
+ I(Q) = Ae^{Bq^2}
+
+The Guinier model assumes that the small angle scattering arises from particles
+and that parameter :math:`B` is related to the radius of gyration of those
+particles. This has dubious applicability to polymer systems. However, the
+correlation function is affected by the Guinier back-extrapolation to the
+greatest extent at large values of R and so only has a
+small effect on the final analysis.
+
+To :math:`Q = \infty`
+.....................
+
+The data are extrapolated to Q = :math:`\infty` by fitting a Porod model to
+the data points in the high-Q range.
+
+The equation used is:
+
+.. math::
+ I(Q) = K Q^{-4}e^{-Q^2\sigma^2} + Bg
+
+Where :math:`Bg` is the background, :math:`K` is the Porod
+constant, and :math:`\sigma` (which must be > 0) describes the width of the electron or neutron scattering length density profile at the interface between the crystalline and amorphous
+regions as shown below.
+
+.. figure:: fig1.gif
+ :align: center
+
+
+Smoothing
+---------
+
+The extrapolated data set consists of the Guinier back-extrapolation from Q~0
+up to the lowest Q value in the original data, then the original scattering data, and the Porod tail-fit beyond this. The joins between the original data and the Guinier/Porod fits are smoothed using the algorithm below to avoid the formation of ripples in the transformed data.
+
+Functions :math:`f(x_i)` and :math:`g(x_i)` where :math:`x_i \in \left\{
+{x_1, x_2, ..., x_n} \right\}`, are smoothed over the range :math:`[a, b]`
+to produce :math:`y(x_i)`, by the following equations:
+
+.. math::
+ y(x_i) = h_ig(x_i) + (1-h_i)f(x_i)
+
+where:
+
+.. math::
+ h_i = \frac{1}{1 + \frac{(x_i-b)^2}{(x_i-a)^2}}
+
+
+Transform
+---------
+
+Fourier
+.......
+
+If "Fourier" is selected for the transform type, the analysis will perform a
+discrete cosine transform on the extrapolated data in order to calculate the
+correlation function
+
+.. math::
+ \Gamma _{1D}(R) = \frac{1}{Q^{*}} \int_{0}^{\infty }I(q) q^{2} cos(qR) dq
+
+where Q\ :sup:`*` is the Scattering Invariant.
+
+The following algorithm is applied:
+
+.. math::
+ \Gamma(x_k) = 2 \sum_{n=0}^{N-1} x_n \cos{\left[ \frac{\pi}{N}
+ \left(n + \frac{1}{2} \right) k \right] } \text{ for } k = 0, 1, \ldots,
+ N-1, N
+
+Hilbert
+.......
+
+If "Hilbert" is selected for the transform type, the analysis will perform a
+Hilbert transform on the extrapolated data in order to calculate the Volume
+Fraction Profile.
+
+.. note:: This functionality is not yet implemented in SasView.
+
+
+Interpretation
+--------------
+
+Correlation Function
+....................
+
+Once the correlation function has been calculated it may be interpreted by clicking the "Compute Parameters" button.
+
+The correlation function is interpreted in terms of an ideal lamellar
+morphology, and structural parameters are obtained from it as shown below.
+It should be noted that a small beam size is assumed; ie, no de-smearing is
+performed.
+
+.. figure:: fig2.gif
+ :align: center
+
+The structural parameters obtained are:
+
+* Long Period :math:`= L_p`
+* Average Hard Block Thickness :math:`= L_c`
+* Average Core Thickness :math:`= D_0`
+* Average Interface Thickness :math:`\text{} = D_{tr}`
+* Polydispersity :math:`= \Gamma_{\text{min}}/\Gamma_{\text{max}}`
+* Local Crystallinity :math:`= L_c/L_p`
+
+Volume Fraction Profile
+.......................
+
+SasView does not provide any automatic interpretation of volume fraction profiles in the same way that it does for correlation functions. However, a number of structural parameters are obtainable by other means:
+
+* Surface Coverage :math:`=\theta`
+* Anchor Separation :math:`= D`
+* Bound Fraction :math:`= <p>`
+* Second Moment :math:`= \sigma`
+* Maximum Extent :math:`= \delta_{\text{h}}`
+* Adsorbed Amount :math:`= \Gamma`
+
+.. figure:: profile1.png
+ :align: center
+
+.. figure:: profile2.png
+ :align: center
+
+
+References
+----------
+
+Strobl, G. R.; Schneider, M. *J. Polym. Sci.* (1980), 18, 1343-1359
+
+Koberstein, J.; Stein R. *J. Polym. Sci. Phys. Ed.* (1983), 21, 2181-2200
+
+Baltá Calleja, F. J.; Vonk, C. G. *X-ray Scattering of Synthetic Poylmers*, Elsevier. Amsterdam (1989), 247-251
+
+Baltá Calleja, F. J.; Vonk, C. G. *X-ray Scattering of Synthetic Poylmers*, Elsevier. Amsterdam (1989), 257-261
+
+Baltá Calleja, F. J.; Vonk, C. G. *X-ray Scattering of Synthetic Poylmers*, Elsevier. Amsterdam (1989), 260-270
+
+:ref:`FDR` (PDF format)
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+
+Usage
+-----
+Upon sending data for correlation function analysis, it will be plotted (minus
+the background value), along with a *red* bar indicating the *upper end of the
+low-Q range* (used for back-extrapolation), and 2 *purple* bars indicating the range to be used for forward-extrapolation. These bars may be moved my clicking and
+dragging, or by entering appropriate values in the Q range input boxes.
+
+.. figure:: tutorial1.png
+ :align: center
+
+Once the Q ranges have been set, click the "Calculate" button to determine the background level. Alternatively, enter your own value into the field. If the box turns yellow this indicates that background subtraction has resulted in some negative intensities.
+
+Click the "Extrapolate" button to extrapolate the data and plot the extrapolation in the same figure. The values of the parameters used for the Guinier and Porod models will also be shown in the "Extrapolation Parameters" section of the window.
+
+.. figure:: tutorial2.png
+ :align: center
+
+Now select which type of transform you would like to perform, using the radio
+buttons:
+
+* **Fourier** Perform a Fourier Transform to calculate the correlation
+ function
+* **Hilbert** Perform a Hilbert Transform to calculate the volume fraction
+ profile
+
+Click the "Transform" button to perform the selected transform and plot
+the result in a new graph window.
+
+If a Fourier Transform was performed, the "Compute Parameters" button can now be clicked to interpret the correlation function as described earlier.
+
+ .. figure:: tutorial3.png
+ :align: center
+
+
+.. note::
+ This help document was last changed by Steve King, 08Oct2016
diff --git a/src/sas/sasgui/perspectives/corfunc/media/fdr-pdfs.rst b/src/sas/sasgui/perspectives/corfunc/media/fdr-pdfs.rst
new file mode 100644
index 0000000..85396d0
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/media/fdr-pdfs.rst
@@ -0,0 +1,10 @@
+.. fdr-pdfs.rst
+
+.. _FDR:
+
+Fibre Diffraction Review References
+===================================
+
+:download:`Fibre_Diffraction_Review_1994_3_25-29.pdf <Fibre_Diffraction_Review_1994_3_25-29.pdf>`
+:download:`Fibre_Diffraction_Review_2004_12_24.pdf <Fibre_Diffraction_Review_2004_12_24.pdf>`
+:download:`Fibre_Diffraction_Review_2005_13_19-22.pdf <Fibre_Diffraction_Review_2005_13_19-22.pdf>`
diff --git a/src/sas/sasgui/perspectives/corfunc/media/fig1.gif b/src/sas/sasgui/perspectives/corfunc/media/fig1.gif
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diff --git a/src/sas/sasgui/perspectives/corfunc/media/tutorial3.png b/src/sas/sasgui/perspectives/corfunc/media/tutorial3.png
new file mode 100644
index 0000000..4d8ab87
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diff --git a/src/sas/sasgui/perspectives/corfunc/plot_labels.py b/src/sas/sasgui/perspectives/corfunc/plot_labels.py
new file mode 100644
index 0000000..88b763c
--- /dev/null
+++ b/src/sas/sasgui/perspectives/corfunc/plot_labels.py
@@ -0,0 +1,7 @@
+GROUP_ID_IQ_DATA = r"$I(q)$"
+IQ_DATA_LABEL = r"$I_{obs}(q) - Bg$"
+IQ_EXTRAPOLATED_DATA_LABEL = r"$I_{extrap}(q)$"
+
+GROUP_ID_TRANSFORM = r"$\Gamma(x)$"
+TRANSFORM_LABEL1 = r"$\Gamma1(x)$"
+TRANSFORM_LABEL3 = r"$\Gamma3(x)$"
diff --git a/src/sas/sasgui/perspectives/file_converter/__init__.py b/src/sas/sasgui/perspectives/file_converter/__init__.py
new file mode 100644
index 0000000..bf6038e
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/__init__.py
@@ -0,0 +1,2 @@
+PLUGIN_ID = "File-Converter Plug-In 1.0"
+from file_converter import *
diff --git a/src/sas/sasgui/perspectives/file_converter/converter_panel.py b/src/sas/sasgui/perspectives/file_converter/converter_panel.py
new file mode 100644
index 0000000..a33ec10
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/converter_panel.py
@@ -0,0 +1,664 @@
+"""
+This module provides a GUI for the file converter
+"""
+
+import wx
+import sys
+import os
+import numpy as np
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.perspectives.file_converter.converter_widgets import FileInput
+from sas.sasgui.perspectives.file_converter.meta_panels import MetadataWindow
+from sas.sasgui.perspectives.file_converter.meta_panels import DetectorPanel
+from sas.sasgui.perspectives.file_converter.meta_panels import SamplePanel
+from sas.sasgui.perspectives.file_converter.meta_panels import SourcePanel
+from sas.sasgui.perspectives.file_converter.frame_select_dialog import FrameSelectDialog
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sascalc.dataloader.data_info import Data2D
+from sas.sasgui.guiframe.utils import check_float
+from sas.sascalc.file_converter.cansas_writer import CansasWriter
+from sas.sascalc.file_converter.otoko_loader import OTOKOLoader
+from sas.sascalc.file_converter.bsl_loader import BSLLoader
+from sas.sascalc.file_converter.nxcansas_writer import NXcanSASWriter
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sascalc.dataloader.data_info import Sample
+from sas.sascalc.dataloader.data_info import Source
+from sas.sascalc.dataloader.data_info import Vector
+
+# Panel size
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ _STATICBOX_WIDTH = 410
+ _BOX_WIDTH = 200
+ PANEL_SIZE = 480
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ _STATICBOX_WIDTH = 430
+ _BOX_WIDTH = 200
+ PANEL_SIZE = 500
+ FONT_VARIANT = 1
+
+class ConverterPanel(ScrolledPanel, PanelBase):
+ """
+ This class provides the File Converter GUI
+ """
+
+ def __init__(self, parent, base=None, *args, **kwargs):
+ ScrolledPanel.__init__(self, parent, *args, **kwargs)
+ PanelBase.__init__(self)
+ self.SetupScrolling()
+ self.SetWindowVariant(variant=FONT_VARIANT)
+
+ self.base = base
+ self.parent = parent
+ self.meta_frames = []
+
+ # GUI inputs
+ self.q_input = None
+ self.iq_input = None
+ self.output = None
+ self.radiation_input = None
+ self.convert_btn = None
+ self.metadata_section = None
+
+ self.data_type = "ascii"
+
+ # Metadata values
+ self.title = ''
+ self.run = ''
+ self.run_name = ''
+ self.instrument = ''
+ self.detector = Detector()
+ self.sample = Sample()
+ self.source = Source()
+ self.properties = ['title', 'run', 'run_name', 'instrument']
+
+ self.detector.name = ''
+ self.source.radiation = 'neutron'
+
+ self._do_layout()
+ self.SetAutoLayout(True)
+ self.Layout()
+
+ def convert_to_cansas(self, frame_data, filepath, single_file):
+ """
+ Saves an array of Data1D objects to a single CanSAS file with multiple
+ <SasData> elements, or to multiple CanSAS files, each with one
+ <SasData> element.
+
+ :param frame_data: If single_file is true, an array of Data1D objects.
+ If single_file is false, a dictionary of the form frame_number: Data1D.
+ :param filepath: Where to save the CanSAS file
+ :param single_file: If true, array is saved as a single file, if false,
+ each item in the array is saved to it's own file
+ """
+ writer = CansasWriter()
+ entry_attrs = None
+ if self.run_name != '':
+ entry_attrs = { 'name': self.run_name }
+
+ if single_file:
+ writer.write(filepath, frame_data,
+ sasentry_attrs=entry_attrs)
+ else:
+ # Folder and base filename
+ [group_path, group_name] = os.path.split(filepath)
+ ext = "." + group_name.split('.')[-1] # File extension
+ for frame_number, frame_data in frame_data.iteritems():
+ # Append frame number to base filename
+ filename = group_name.replace(ext, str(frame_number)+ext)
+ destination = os.path.join(group_path, filename)
+ writer.write(destination, [frame_data],
+ sasentry_attrs=entry_attrs)
+
+ def extract_ascii_data(self, filename):
+ """
+ Extracts data from a single-column ASCII file
+
+ :param filename: The file to load data from
+ :return: A numpy array containing the extracted data
+ """
+ try:
+ data = np.loadtxt(filename, dtype=str)
+ except:
+ is_bsl = False
+ # Check if file is a BSL or OTOKO header file
+ f = open(filename, 'r')
+ f.readline()
+ f.readline()
+ bsl_metadata = f.readline().strip().split()
+ f.close()
+ if len(bsl_metadata) == 10:
+ msg = ("Error parsing ASII data. {} looks like a BSL or OTOKO "
+ "header file.")
+ raise Exception(msg.format(os.path.split(filename)[-1]))
+
+ if len(data.shape) != 1:
+ msg = "Error reading {}: Only one column of data is allowed"
+ raise Exception(msg.format(filename.split('\\')[-1]))
+
+ is_float = True
+ try:
+ float(data[0])
+ except:
+ is_float = False
+
+ if not is_float:
+ end_char = data[0][-1]
+ # If lines end with comma or semi-colon, trim the last character
+ if end_char == ',' or end_char == ';':
+ data = map(lambda s: s[0:-1], data)
+ else:
+ msg = ("Error reading {}: Lines must end with a digit, comma "
+ "or semi-colon").format(filename.split('\\')[-1])
+ raise Exception(msg)
+
+ return np.array(data, dtype=np.float32)
+
+ def extract_otoko_data(self, filename):
+ """
+ Extracts data from a 1D OTOKO file
+
+ :param filename: The OTOKO file to load the data from
+ :return: A numpy array containing the extracted data
+ """
+ loader = OTOKOLoader(self.q_input.GetPath(),
+ self.iq_input.GetPath())
+ otoko_data = loader.load_otoko_data()
+ qdata = otoko_data.q_axis.data
+ iqdata = otoko_data.data_axis.data
+ if len(qdata) > 1:
+ msg = ("Q-Axis file has multiple frames. Only 1 frame is "
+ "allowed for the Q-Axis")
+ wx.PostEvent(self.parent.manager.parent,
+ StatusEvent(status=msg, info="error"))
+ return
+ else:
+ qdata = qdata[0]
+
+ return qdata, iqdata
+
+ def extract_bsl_data(self, filename):
+ """
+ Extracts data from a 2D BSL file
+
+ :param filename: The header file to extract the data from
+ :return x_data: A 1D array containing all the x coordinates of the data
+ :return y_data: A 1D array containing all the y coordinates of the data
+ :return frame_data: A dictionary of the form frame_number: data, where
+ data is a 2D numpy array containing the intensity data
+ """
+ loader = BSLLoader(filename)
+ frames = [0]
+ should_continue = True
+
+ if loader.n_frames > 1:
+ params = self.ask_frame_range(loader.n_frames)
+ frames = params['frames']
+ if len(frames) == 0:
+ should_continue = False
+ elif loader.n_rasters == 1 and loader.n_frames == 1:
+ message = ("The selected file is an OTOKO file. Please select the "
+ "'OTOKO 1D' option if you wish to convert it.")
+ dlg = wx.MessageDialog(self,
+ message,
+ 'Error!',
+ wx.OK | wx.ICON_WARNING)
+ dlg.ShowModal()
+ should_continue = False
+ dlg.Destroy()
+ else:
+ message = ("The selected data file only has 1 frame, it might be"
+ " a multi-frame OTOKO file.\nContinue conversion?")
+ dlg = wx.MessageDialog(self,
+ message,
+ 'Warning!',
+ wx.YES_NO | wx.ICON_WARNING)
+ should_continue = (dlg.ShowModal() == wx.ID_YES)
+ dlg.Destroy()
+
+ if not should_continue:
+ return None
+
+ frame_data = loader.load_frames(frames)
+
+ return frame_data
+
+ def ask_frame_range(self, n_frames):
+ """
+ Display a dialog asking the user to input the range of frames they
+ would like to export
+
+ :param n_frames: How many frames the loaded data file has
+ :return: A dictionary containing the parameters input by the user
+ """
+ valid_input = False
+ _, ext = os.path.splitext(self.output.GetPath())
+ show_single_btn = (ext == '.h5')
+ dlg = FrameSelectDialog(n_frames, show_single_btn)
+ frames = None
+ increment = None
+ single_file = True
+ while not valid_input:
+ if dlg.ShowModal() == wx.ID_OK:
+ msg = ""
+ try:
+ first_frame = int(dlg.first_input.GetValue())
+ last_frame = int(dlg.last_input.GetValue())
+ increment = int(dlg.increment_input.GetValue())
+ if not show_single_btn:
+ single_file = dlg.single_btn.GetValue()
+
+ if last_frame < 0 or first_frame < 0:
+ msg = "Frame values must be positive"
+ elif increment < 1:
+ msg = "Increment must be greater than or equal to 1"
+ elif first_frame > last_frame:
+ msg = "First frame must be less than last frame"
+ elif last_frame >= n_frames:
+ msg = "Last frame must be less than {}".format(n_frames)
+ else:
+ valid_input = True
+ except:
+ valid_input = False
+ msg = "Please enter valid integer values"
+
+ if not valid_input:
+ wx.PostEvent(self.parent.manager.parent,
+ StatusEvent(status=msg))
+ else:
+ return { 'frames': [], 'inc': None, 'file': single_file }
+ frames = range(first_frame, last_frame + 1, increment)
+ return { 'frames': frames, 'inc': increment, 'file': single_file }
+
+ def get_metadata(self):
+ # Prepare the metadata for writing to a file
+ if self.run is None:
+ self.run = []
+ elif not isinstance(self.run, list):
+ self.run = [self.run]
+
+ run_name = None
+ if len(self.run) > 0:
+ run_number = self.run[0]
+ run_name = { run_number: self.run_name }
+
+ if self.title is None:
+ self.title = ''
+
+ metadata = {
+ 'title': self.title,
+ 'run': self.run,
+ 'run_name': run_name,
+ 'instrument': self.instrument,
+ 'detector': [self.detector],
+ 'sample': self.sample,
+ 'source': self.source
+ }
+
+ return metadata
+
+ def convert_1d_data(self, qdata, iqdata):
+ """
+ Formats a 1D array of q_axis data and a 2D array of I axis data (where
+ each row of iqdata is a separate row), into an array of Data1D objects
+ """
+ frames = []
+ increment = 1
+ single_file = True
+ n_frames = iqdata.shape[0]
+ # Standard file has 3 frames: SAS, calibration and WAS
+ if n_frames > 3:
+ # File has multiple frames - ask the user which ones they want to
+ # export
+ params = self.ask_frame_range(n_frames)
+ frames = params['frames']
+ increment = params['inc']
+ single_file = params['file']
+ if frames == []: return
+ else: # Only interested in SAS data
+ frames = [0]
+
+ output_path = self.output.GetPath()
+ metadata = self.get_metadata()
+
+ frame_data = {}
+ for i in frames:
+ data = Data1D(x=qdata, y=iqdata[i])
+ frame_data[i] = data
+ if single_file:
+ # Only need to set metadata on first Data1D object
+ frame_data = frame_data.values() # Don't need to know frame numbers
+ frame_data[0].filename = output_path.split('\\')[-1]
+ for key, value in metadata.iteritems():
+ setattr(frame_data[0], key, value)
+ else:
+ # Need to set metadata for all Data1D objects
+ for datainfo in frame_data.values():
+ datainfo.filename = output_path.split('\\')[-1]
+ for key, value in metadata.iteritems():
+ setattr(datainfo, key, value)
+
+ _, ext = os.path.splitext(output_path)
+ if ext == '.xml':
+ self.convert_to_cansas(frame_data, output_path, single_file)
+ else: # ext == '.h5'
+ w = NXcanSASWriter()
+ w.write(frame_data, output_path)
+
+ def on_convert(self, event):
+ """Called when the Convert button is clicked"""
+ if not self.validate_inputs():
+ return
+
+ self.sample.ID = self.title
+
+ try:
+ if self.data_type == 'ascii':
+ qdata = self.extract_ascii_data(self.q_input.GetPath())
+ iqdata = np.array([self.extract_ascii_data(self.iq_input.GetPath())])
+ self.convert_1d_data(qdata, iqdata)
+ elif self.data_type == 'otoko':
+ qdata, iqdata = self.extract_otoko_data(self.q_input.GetPath())
+ self.convert_1d_data(qdata, iqdata)
+ else: # self.data_type == 'bsl'
+ dataset = self.extract_bsl_data(self.iq_input.GetPath())
+ if dataset is None:
+ # Cancelled by user
+ return
+
+ metadata = self.get_metadata()
+ for key, value in metadata.iteritems():
+ setattr(dataset[0], key, value)
+
+ w = NXcanSASWriter()
+ w.write(dataset, self.output.GetPath())
+ except Exception as ex:
+ msg = str(ex)
+ wx.PostEvent(self.parent.manager.parent,
+ StatusEvent(status=msg, info='error'))
+ return
+
+ wx.PostEvent(self.parent.manager.parent,
+ StatusEvent(status="Conversion completed."))
+
+ def on_help(self, event):
+ """
+ Show the File Converter documentation
+ """
+ tree_location = ("user/sasgui/perspectives/file_converter/"
+ "file_converter_help.html")
+ doc_viewer = DocumentationWindow(self, -1, tree_location,
+ "", "File Converter Help")
+
+ def validate_inputs(self):
+ msg = "You must select a"
+ if self.q_input.GetPath() == '' and self.data_type != 'bsl':
+ msg += " Q Axis input file."
+ elif self.iq_input.GetPath() == '':
+ msg += "n Intensity input file."
+ elif self.output.GetPath() == '':
+ msg += " destination for the converted file."
+ if msg != "You must select a":
+ wx.PostEvent(self.parent.manager.parent,
+ StatusEvent(status=msg, info='error'))
+ return
+
+ return True
+
+ def show_detector_window(self, event):
+ """
+ Show the window for inputting Detector metadata
+ """
+ if self.meta_frames != []:
+ for frame in self.meta_frames:
+ frame.panel.on_close()
+ detector_frame = MetadataWindow(DetectorPanel,
+ parent=self.parent.manager.parent, manager=self,
+ metadata=self.detector, title='Detector Metadata')
+ self.meta_frames.append(detector_frame)
+ self.parent.manager.put_icon(detector_frame)
+ detector_frame.Show(True)
+
+ def show_sample_window(self, event):
+ """
+ Show the window for inputting Sample metadata
+ """
+ if self.meta_frames != []:
+ for frame in self.meta_frames:
+ frame.panel.on_close()
+ sample_frame = MetadataWindow(SamplePanel,
+ parent=self.parent.manager.parent, manager=self,
+ metadata=self.sample, title='Sample Metadata')
+ self.meta_frames.append(sample_frame)
+ self.parent.manager.put_icon(sample_frame)
+ sample_frame.Show(True)
+
+ def show_source_window(self, event):
+ """
+ Show the window for inputting Source metadata
+ """
+ if self.meta_frames != []:
+ for frame in self.meta_frames:
+ frame.panel.on_close()
+ source_frame = MetadataWindow(SourcePanel,
+ parent=self.parent.manager.parent, manager=self,
+ metadata=self.source, title="Source Metadata")
+ self.meta_frames.append(source_frame)
+ self.parent.manager.put_icon(source_frame)
+ source_frame.Show(True)
+
+ def on_collapsible_pane(self, event):
+ """
+ Resize the scrollable area to fit the metadata pane when it's
+ collapsed or expanded
+ """
+ self.Freeze()
+ self.SetupScrolling()
+ self.parent.Layout()
+ self.Thaw()
+
+ def datatype_changed(self, event):
+ """
+ Update the UI and self.data_type when a data type radio button is
+ pressed
+ """
+ event.Skip()
+ dtype = event.GetEventObject().GetName()
+ self.data_type = dtype
+ if dtype == 'bsl':
+ self.q_input.SetPath("")
+ self.q_input.Disable()
+ self.output.SetWildcard("NXcanSAS HDF5 File (*.h5)|*.h5")
+ else:
+ self.q_input.Enable()
+ self.radiation_input.Enable()
+ self.metadata_section.Enable()
+ self.output.SetWildcard("CanSAS 1D (*.xml)|*.xml|NXcanSAS HDF5 File (*.h5)|*.h5")
+
+ def radiationtype_changed(self, event):
+ event.Skip()
+ rtype = event.GetEventObject().GetValue().lower()
+ self.source.radiation = rtype
+
+ def metadata_changed(self, event):
+ event.Skip()
+ textbox = event.GetEventObject()
+ attr = textbox.GetName()
+ value = textbox.GetValue().strip()
+
+ setattr(self, attr, value)
+
+
+ def _do_layout(self):
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ instructions = (
+ "Select linked single column 1D ASCII files containing the Q-axis and "
+ "Intensity-axis data, or 1D BSL/OTOKO files, or a 2D BSL/OTOKO file, "
+ "then choose where to save the converted file, and click Convert.\n"
+ "1D ASCII and BSL/OTOKO files can be converted to CanSAS (XML) or "
+ "NXcanSAS (HDF5) formats. 2D BSL/OTOKO files can only be converted to "
+ "the NXcanSAS format.\n"
+ "Metadata can be optionally added for the CanSAS XML format."
+ )
+
+ instruction_label = wx.StaticText(self, -1, instructions,
+ size=(_STATICBOX_WIDTH+40, -1))
+ instruction_label.Wrap(_STATICBOX_WIDTH+40)
+ vbox.Add(instruction_label, flag=wx.TOP | wx.LEFT | wx.RIGHT, border=5)
+
+ section = wx.StaticBox(self, -1)
+ section_sizer = wx.StaticBoxSizer(section, wx.VERTICAL)
+ section_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ input_grid = wx.GridBagSizer(5, 5)
+
+ y = 0
+
+ data_type_label = wx.StaticText(self, -1, "Input Format: ")
+ input_grid.Add(data_type_label, (y,0), (1,1),
+ wx.ALIGN_CENTER_VERTICAL, 5)
+ radio_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ ascii_btn = wx.RadioButton(self, -1, "ASCII", name="ascii",
+ style=wx.RB_GROUP)
+ ascii_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
+ radio_sizer.Add(ascii_btn)
+ otoko_btn = wx.RadioButton(self, -1, "BSL 1D", name="otoko")
+ otoko_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
+ radio_sizer.Add(otoko_btn)
+ input_grid.Add(radio_sizer, (y,1), (1,1), wx.ALL, 5)
+ bsl_btn = wx.RadioButton(self, -1, "BSL 2D", name="bsl")
+ bsl_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
+ radio_sizer.Add(bsl_btn)
+ y += 1
+
+ q_label = wx.StaticText(self, -1, "Q-Axis Data: ")
+ input_grid.Add(q_label, (y,0), (1,1), wx.ALIGN_CENTER_VERTICAL, 5)
+
+ self.q_input = wx.FilePickerCtrl(self, -1,
+ size=(_STATICBOX_WIDTH-80, -1),
+ message="Chose the Q-Axis data file.",
+ style=wx.FLP_USE_TEXTCTRL | wx.FLP_CHANGE_DIR)
+ input_grid.Add(self.q_input, (y,1), (1,1), wx.ALL, 5)
+ y += 1
+
+ iq_label = wx.StaticText(self, -1, "Intensity-Axis Data: ")
+ input_grid.Add(iq_label, (y,0), (1,1), wx.ALIGN_CENTER_VERTICAL, 5)
+
+ self.iq_input = wx.FilePickerCtrl(self, -1,
+ size=(_STATICBOX_WIDTH-80, -1),
+ message="Chose the Intensity-Axis data file.",
+ style=wx.FLP_USE_TEXTCTRL | wx.FLP_CHANGE_DIR)
+ input_grid.Add(self.iq_input, (y,1), (1,1), wx.ALL, 5)
+ y += 1
+
+ radiation_label = wx.StaticText(self, -1, "Radiation Type: ")
+ input_grid.Add(radiation_label, (y,0), (1,1), wx.ALIGN_CENTER_VERTICAL, 5)
+ self.radiation_input = wx.ComboBox(self, -1,
+ choices=["Neutron", "X-Ray", "Muon", "Electron"],
+ name="radiation", style=wx.CB_READONLY, value="Neutron")
+ self.radiation_input.Bind(wx.EVT_COMBOBOX, self.radiationtype_changed)
+ input_grid.Add(self.radiation_input, (y,1), (1,1), wx.ALL, 5)
+ y += 1
+
+ output_label = wx.StaticText(self, -1, "Output File: ")
+ input_grid.Add(output_label, (y,0), (1,1), wx.ALIGN_CENTER_VERTICAL, 5)
+
+ self.output = FileInput(self,
+ wildcard="CanSAS 1D (*.xml)|*.xml|NXcanSAS HDF5 File (*.h5)|*.h5")
+ input_grid.Add(self.output.GetCtrl(), (y,1), (1,1), wx.EXPAND | wx.ALL, 5)
+ y += 1
+
+ self.convert_btn = wx.Button(self, wx.ID_OK, "Stop Converstion")
+ self.convert_btn.SetLabel("Convert")
+ input_grid.Add(self.convert_btn, (y,0), (1,1), wx.ALL, 5)
+ self.convert_btn.Bind(wx.EVT_BUTTON, self.on_convert)
+
+ help_btn = wx.Button(self, -1, "HELP")
+ input_grid.Add(help_btn, (y,1), (1,1), wx.ALL, 5)
+ help_btn.Bind(wx.EVT_BUTTON, self.on_help)
+
+ section_sizer.Add(input_grid)
+
+ vbox.Add(section_sizer, flag=wx.ALL, border=5)
+
+ self.metadata_section = wx.CollapsiblePane(self, -1, "Metadata",
+ size=(_STATICBOX_WIDTH+40, -1), style=wx.WS_EX_VALIDATE_RECURSIVELY)
+ metadata_pane = self.metadata_section.GetPane()
+ metadata_grid = wx.GridBagSizer(5, 5)
+
+ self.metadata_section.Bind(wx.EVT_COLLAPSIBLEPANE_CHANGED,
+ self.on_collapsible_pane)
+
+ y = 0
+ for item in self.properties:
+ # Capitalise each word
+ label_txt = " ".join(
+ [s.capitalize() for s in item.replace('_', ' ').split(' ')])
+ if item == 'run':
+ label_txt = "Run Number"
+ label = wx.StaticText(metadata_pane, -1, label_txt,
+ style=wx.ALIGN_CENTER_VERTICAL)
+ input_box = wx.TextCtrl(metadata_pane, name=item,
+ size=(_STATICBOX_WIDTH-80, -1))
+ input_box.Bind(wx.EVT_TEXT, self.metadata_changed)
+ metadata_grid.Add(label, (y,0), (1,1),
+ wx.ALL | wx.ALIGN_CENTER_VERTICAL, 5)
+ metadata_grid.Add(input_box, (y,1), (1,2), wx.EXPAND)
+ y += 1
+
+ detector_label = wx.StaticText(metadata_pane, -1,
+ "Detector:")
+ metadata_grid.Add(detector_label, (y, 0), (1,1), wx.ALL | wx.EXPAND, 5)
+ detector_btn = wx.Button(metadata_pane, -1, "Enter Detector Metadata")
+ metadata_grid.Add(detector_btn, (y, 1), (1,1), wx.ALL | wx.EXPAND, 5)
+ detector_btn.Bind(wx.EVT_BUTTON, self.show_detector_window)
+ y += 1
+
+ sample_label = wx.StaticText(metadata_pane, -1, "Sample: ")
+ metadata_grid.Add(sample_label, (y,0), (1,1), wx.ALL | wx.EXPAND, 5)
+ sample_btn = wx.Button(metadata_pane, -1, "Enter Sample Metadata")
+ metadata_grid.Add(sample_btn, (y,1), (1,1), wx.ALL | wx.EXPAND, 5)
+ sample_btn.Bind(wx.EVT_BUTTON, self.show_sample_window)
+ y += 1
+
+ source_label = wx.StaticText(metadata_pane, -1, "Source: ")
+ metadata_grid.Add(source_label, (y,0), (1,1), wx.ALL | wx.EXPAND, 5)
+ source_btn = wx.Button(metadata_pane, -1, "Enter Source Metadata")
+ source_btn.Bind(wx.EVT_BUTTON, self.show_source_window)
+ metadata_grid.Add(source_btn, (y,1), (1,1), wx.ALL | wx.EXPAND, 5)
+ y += 1
+
+ metadata_pane.SetSizer(metadata_grid)
+
+ vbox.Add(self.metadata_section, proportion=0, flag=wx.ALL, border=5)
+
+ vbox.Fit(self)
+ self.SetSizer(vbox)
+
+class ConverterWindow(widget.CHILD_FRAME):
+ """Displays ConverterPanel"""
+
+ def __init__(self, parent=None, title='File Converter', base=None,
+ manager=None, size=(PANEL_SIZE * 1.05, PANEL_SIZE / 1.1),
+ *args, **kwargs):
+ kwargs['title'] = title
+ kwargs['size'] = size
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwargs)
+
+ self.manager = manager
+ self.panel = ConverterPanel(self, base=None)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+ self.SetPosition((wx.LEFT, PANEL_TOP))
+ self.Show(True)
+
+ def on_close(self, event):
+ if self.manager is not None:
+ self.manager.converter_frame = None
+ self.Destroy()
diff --git a/src/sas/sasgui/perspectives/file_converter/converter_widgets.py b/src/sas/sasgui/perspectives/file_converter/converter_widgets.py
new file mode 100644
index 0000000..a0df9e0
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/converter_widgets.py
@@ -0,0 +1,188 @@
+"""
+This module provides some custom wx widgets for the file converter perspective
+"""
+import wx
+import os
+from sas.sascalc.dataloader.data_info import Vector
+from sas.sasgui.guiframe.utils import check_float
+
+class VectorInput(object):
+ """
+ An input field for inputting 2 (or 3) components of a vector.
+ """
+
+ def __init__(self, parent, control_name, callback=None,
+ labels=["x: ", "y: ", "z: "], z_enabled=False):
+ """
+ Create the control
+
+ :param parent: The window to add the control to
+ :param control_name: All TextCtrl names will start with control_name
+ :param callback: The function to call when the text is changed
+ :param labels: An array of labels for the TextCtrls
+ :param z_enabled: Whether or not to show the z input field
+ """
+ self.parent = parent
+ self.control_name = control_name
+ self._callback = callback
+ self._name = control_name
+
+ self.labels = labels
+ self.z_enabled = z_enabled
+ self._sizer = None
+ self._inputs = {}
+
+ self._do_layout()
+
+ def GetSizer(self):
+ """
+ Get the control's sizer
+
+ :return sizer: a wx.BoxSizer object
+ """
+ return self._sizer
+
+ def GetName(self):
+ return self._name
+
+ def GetValue(self):
+ """
+ Get the value of the vector input
+
+ :return v: A Vector object
+ """
+ v = Vector()
+ if not self.Validate(): return v
+ for direction, control in self._inputs.iteritems():
+ try:
+ value = float(control.GetValue())
+ setattr(v, direction, value)
+ except: # Text field is empty
+ pass
+
+ return v
+
+ def SetValue(self, vector):
+ """
+ Set the value of the vector input
+
+ :param vector: A Vector object
+ """
+ directions = ['x', 'y']
+ if self.z_enabled: directions.append('z')
+ for direction in directions:
+ value = getattr(vector, direction)
+ if value is None: value = ''
+ self._inputs[direction].SetValue(str(value))
+
+ def Validate(self):
+ """
+ Validate the contents of the inputs
+
+ :return all_valid: Whether or not the inputs are valid
+ :return invalid_ctrl: A control that is not valid
+ (or None if all are valid)
+ """
+ all_valid = True
+ invalid_ctrl = None
+ for control in self._inputs.values():
+ if control.GetValue() == '': continue
+ control.SetBackgroundColour(wx.WHITE)
+ control_valid = check_float(control)
+ if not control_valid:
+ all_valid = False
+ invalid_ctrl = control
+ return all_valid, invalid_ctrl
+
+
+ def _do_layout(self):
+ self._sizer = wx.BoxSizer(wx.HORIZONTAL)
+ x_label = wx.StaticText(self.parent, -1, self.labels[0],
+ style=wx.ALIGN_CENTER_VERTICAL)
+ self._sizer.Add(x_label, wx.ALIGN_CENTER_VERTICAL)
+ x_input = wx.TextCtrl(self.parent, -1,
+ name="{}_x".format(self.control_name), size=(50, -1))
+ self._sizer.Add(x_input)
+ self._inputs['x'] = x_input
+ x_input.Bind(wx.EVT_TEXT, self._callback)
+
+ self._sizer.AddSpacer((10, -1))
+
+ y_label = wx.StaticText(self.parent, -1, self.labels[1],
+ style=wx.ALIGN_CENTER_VERTICAL)
+ self._sizer.Add(y_label, wx.ALIGN_CENTER_VERTICAL)
+ y_input = wx.TextCtrl(self.parent, -1,
+ name="{}_y".format(self.control_name), size=(50, -1))
+ self._sizer.Add(y_input)
+ self._inputs['y'] = y_input
+ y_input.Bind(wx.EVT_TEXT, self._callback)
+
+ if self.z_enabled:
+ self._sizer.AddSpacer((10, -1))
+
+ z_label = wx.StaticText(self.parent, -1, self.labels[2],
+ style=wx.ALIGN_CENTER_VERTICAL)
+ self._sizer.Add(z_label, wx.ALIGN_CENTER_VERTICAL)
+ z_input = wx.TextCtrl(self.parent, -1,
+ name="{}_z".format(self.control_name), size=(50, -1))
+ self._sizer.Add(z_input)
+ self._inputs['z'] = z_input
+ z_input.Bind(wx.EVT_TEXT, self._callback)
+
+class FileInput(object):
+
+ def __init__(self, parent, wildcard=''):
+ self.parent = parent
+ self._sizer = None
+ self._text_ctrl = None
+ self._button_ctrl = None
+ self._filepath = ''
+ self._wildcard = wildcard
+
+ self._do_layout()
+
+ def GetCtrl(self):
+ return self._sizer
+
+ def GetPath(self):
+ return self._filepath
+
+ def SetWildcard(self, wildcard):
+ self._wildcard = wildcard
+
+
+ def _on_text_change(self, event):
+ event.Skip()
+ self._filepath = self._text_ctrl.GetValue()
+
+ def _on_browse(self, event):
+ event.Skip()
+ initial_path = self._filepath
+ initial_dir = os.getcwd()
+ if not os.path.isfile(initial_path):
+ initial_path = ''
+ else:
+ initial_dir = os.path.split(initial_path)[0]
+
+ file_dlg = wx.FileDialog(self.parent, defaultDir=initial_dir,
+ defaultFile=initial_path, wildcard=self._wildcard,
+ style=wx.FD_SAVE | wx.FD_OVERWRITE_PROMPT)
+ if file_dlg.ShowModal() == wx.ID_CANCEL:
+ file_dlg.Destroy()
+ return
+ self._filepath = file_dlg.GetPath()
+ file_dlg.Destroy()
+ self._text_ctrl.SetValue(self._filepath)
+
+ def _do_layout(self):
+ self._sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ self._text_ctrl = wx.TextCtrl(self.parent, -1)
+ self._sizer.Add(self._text_ctrl, wx.EXPAND)
+ self._text_ctrl.Bind(wx.EVT_TEXT, self._on_text_change)
+
+ self._sizer.AddSpacer(5)
+
+ self._button_ctrl = wx.Button(self.parent, -1, "Browse")
+ self._sizer.Add(self._button_ctrl)
+ self._button_ctrl.Bind(wx.EVT_BUTTON, self._on_browse)
diff --git a/src/sas/sasgui/perspectives/file_converter/file_converter.py b/src/sas/sasgui/perspectives/file_converter/file_converter.py
new file mode 100644
index 0000000..48b303f
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/file_converter.py
@@ -0,0 +1,48 @@
+"""
+File Converter Plugin
+"""
+
+import logging
+from sas.sasgui.guiframe.plugin_base import PluginBase
+from sas.sasgui.perspectives.file_converter.converter_panel import ConverterWindow
+
+class Plugin(PluginBase):
+ """
+ This class defines the interface for a Plugin class
+ for File Converter perspective
+ """
+
+ def __init__(self):
+ PluginBase.__init__(self, name="File Converter")
+ logging.info("File Converter plug-in started")
+ self._sub_menu = "Tool"
+ self.converter_frame = None
+
+ def get_tools(self):
+ """
+ Returns a set of menu entries
+ """
+ help_txt = "Convert single column ASCII data to CanSAS format"
+ return [("File Converter", help_txt, self.on_file_converter)]
+
+ def on_file_converter(self, event):
+ if self.converter_frame is None:
+ frame = ConverterWindow(parent=self.parent, base=self.parent,
+ manager=self)
+ self.put_icon(frame)
+ self.converter_frame = frame
+ else:
+ self.converter_frame.Show(False)
+ self.converter_frame.Show(True)
+
+ def put_icon(self, frame):
+ """
+ Put icon in the frame title bar
+ """
+ if hasattr(frame, "IsIconized"):
+ if not frame.IsIconized():
+ try:
+ icon = self.parent.GetIcon()
+ frame.SetIcon(icon)
+ except:
+ pass
diff --git a/src/sas/sasgui/perspectives/file_converter/frame_select_dialog.py b/src/sas/sasgui/perspectives/file_converter/frame_select_dialog.py
new file mode 100644
index 0000000..304c938
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/frame_select_dialog.py
@@ -0,0 +1,72 @@
+import wx
+
+class FrameSelectDialog(wx.Dialog):
+ """
+ This class provides a wx.Dialog subclass for selecting which frames of a
+ multi-frame file to export
+ """
+
+ def __init__(self, n_frames, is_bsl=False):
+ wx.Dialog.__init__(self, None, title="Select Frames")
+
+ sizer = wx.GridBagSizer(10, 10)
+
+ y = 0
+ instructions = ("The file you've selected has {} frames. "
+ "Please select a subset of frames to convert to CanSAS "
+ "format").format(n_frames)
+ instructions_label = wx.StaticText(self, -1, instructions)
+ instructions_label.Wrap(self.GetSize().width - 10)
+ sizer.Add(instructions_label, (y,0), (1,2), wx.ALL, 5)
+ y += 1
+
+ first_label = wx.StaticText(self, -1,
+ "First Frame (0-{}): ".format(n_frames-1))
+ sizer.Add(first_label, (y,0), (1,1), wx.ALL, 5)
+
+ self.first_input = wx.TextCtrl(self, -1)
+ sizer.Add(self.first_input, (y,1), (1,1))
+ y += 1
+
+ last_label = wx.StaticText(self, -1,
+ "Last Frame (0-{}): ".format(n_frames-1))
+ sizer.Add(last_label, (y,0), (1,1), wx.ALL, 5)
+
+ self.last_input = wx.TextCtrl(self, -1)
+ sizer.Add(self.last_input, (y,1), (1,1))
+ y += 1
+
+ increment_label = wx.StaticText(self, -1, "Increment: ")
+ sizer.Add(increment_label, (y,0), (1,1), wx.ALL, 5)
+
+ self.increment_input = wx.TextCtrl(self, -1)
+ sizer.Add(self.increment_input, (y,1), (1,1))
+ y += 1
+
+ if not is_bsl:
+ export_label = wx.StaticText(self, -1, "Export each frame to:")
+ sizer.Add(export_label, (y,0), (1,1), wx.LEFT | wx.RIGHT | wx.TOP, 5)
+ y += 1
+
+ self.single_btn = wx.RadioButton(self, -1, label="The same file",
+ style=wx.RB_GROUP)
+ sizer.Add(self.single_btn, (y,0), (1,1),
+ wx.LEFT | wx.RIGHT | wx.BOTTOM, 5)
+
+ multiple_btn = wx.RadioButton(self, -1, label="Multiple files")
+ sizer.Add(multiple_btn, (y,1), (1,1),
+ wx.LEFT | wx.RIGHT | wx.BOTTOM, 5)
+ y += 1
+
+ done_btn = wx.Button(self, wx.ID_OK)
+ sizer.Add(done_btn, (y,0), (1,1), wx.LEFT | wx.BOTTOM, 15)
+
+ cancel_btn = wx.Button(self, wx.ID_CANCEL)
+ sizer.Add(cancel_btn, (y,1), (1,1), wx.LEFT | wx.RIGHT | wx.BOTTOM, 15)
+
+ self.SetSizer(sizer)
+
+ size = self.GetSize()
+ if not is_bsl:
+ size.height += 35
+ self.SetSize(size)
diff --git a/src/sas/sasgui/perspectives/file_converter/media/file_converter_help.rst b/src/sas/sasgui/perspectives/file_converter/media/file_converter_help.rst
new file mode 100644
index 0000000..e7238e0
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/media/file_converter_help.rst
@@ -0,0 +1,67 @@
+.. file_converter_help.rst
+
+.. _File_Converter_Tool:
+
+File Converter Tool
+===================
+
+Description
+-----------
+
+This tool converts file formats with the Q data and Intensity data stored in separate
+files, into a single CanSAS (XML) or NXcanSAS (HDF5) file.
+
+It can also convert 2D BSL/OTOKO files into a NXcanSAS file.
+
+Supported input file formats (examples may be found in the /test/convertible_files folder):
+
+* Single-column ASCII data, with lines that end without any delimiter,
+ or with a comma or semi-colon delimiter
+* `1D BSL/OTOKO format
+ <http://www.diamond.ac.uk/Beamlines/Soft-Condensed-Matter/small-angle/
+ SAXS-Software/CCP13/BSL.html>`_ data
+* `2D BSL/OTOKO format
+ <http://www.diamond.ac.uk/Beamlines/Soft-Condensed-Matter/small-angle/
+ SAXS-Software/CCP13/BSL.html>`_ data
+
+Supported output file formats:
+
+* `CanSAS <http://www.cansas.org/formats/canSAS1d/1.1/doc/>`_
+* `NXcanSAS <http://download.nexusformat.org/sphinx/classes/contributed_definitions/NXcanSAS.html>`_
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using the Tool
+--------------
+
+1) Select the files containing your Q-axis and Intensity-axis data
+2) Choose whether the files are in ASCII, 1D BSL/OTOKO or 2D BSL/OTOKO format
+3) Choose where you would like to save the converted file
+4) Optionally, input some metadata such as sample size, detector name, etc
+5) Click *Convert* to save the converted file
+
+Files With Multiple Frames
+^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+If a BSL/OTOKO file with multiple frames is selected for the Intensity-axis
+file, a dialog will appear asking which frames you would like converted. You
+may enter a start frame, end frame & increment, and all frames in that subset
+will be converted. For example, entering 0, 50 and 10 will convert frames 0,
+10, 20, 30, 40 & 50.
+
+To convert a single frame, enter the same value for first frame & last frame,
+and 1 as the increment.
+
+CanSAS XML files can become quite large when exporting multiple frames to a
+single file, so there is an option in the *Select Frame* dialog to output each
+frame to its own file. The single file option will produce one file with
+multiple `<SASdata>` elements. The multiple file option will output a separate
+file with one `<SASdata>` element for each frame. The frame number will also be
+appended to the file name.
+
+The multiple file option is not available when exporting to NXcanSAS because
+the HDF5 format is more efficient at handling large amounts of data.
+
+
+.. note::
+ This help document was last changed by Steve King, 08Oct2016
diff --git a/src/sas/sasgui/perspectives/file_converter/meta_panels.py b/src/sas/sasgui/perspectives/file_converter/meta_panels.py
new file mode 100644
index 0000000..5619185
--- /dev/null
+++ b/src/sas/sasgui/perspectives/file_converter/meta_panels.py
@@ -0,0 +1,419 @@
+import wx
+import sys
+from sas.sasgui.perspectives.calculator import calculator_widgets as widget
+from sas.sasgui.perspectives.file_converter.converter_widgets import VectorInput
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.utils import check_float
+
+if sys.platform.count("win32") > 0:
+ PANEL_TOP = 0
+ _STATICBOX_WIDTH = 350
+ PANEL_SIZE = 440
+ FONT_VARIANT = 0
+else:
+ PANEL_TOP = 60
+ _STATICBOX_WIDTH = 380
+ PANEL_SIZE = 470
+ FONT_VARIANT = 1
+
+class MetadataPanel(ScrolledPanel, PanelBase):
+ """
+ A common base class to be extended by panels that deal with metadata input.
+ Handles input validation and passing inputted data back to ConverterPanel.
+ """
+
+ def __init__(self, parent, metadata, base=None, *args, **kwargs):
+ ScrolledPanel.__init__(self, parent, *args, **kwargs)
+ PanelBase.__init__(self)
+ self.SetupScrolling()
+ self.SetWindowVariant(variant=FONT_VARIANT)
+
+ self.base = base
+ self.parent = parent
+ self._to_validate = [] # An list of inputs that should contain floats
+ self._vectors = [] # A list of VectorInputs to be validated
+ self.metadata = metadata
+
+ def get_property_string(self, name, is_float=False):
+ value = getattr(self.metadata, name)
+ if value is None or value == []:
+ value = ''
+ is_float = False
+ if isinstance(value, list):
+ value = value[0]
+ value = str(value)
+ if is_float and not '.' in value: value += '.0'
+ return value
+
+ def on_change(self, event):
+ ctrl = event.GetEventObject()
+ value = ctrl.GetValue()
+ name = ctrl.GetName()
+ old_value = getattr(self.metadata, name)
+ if value == '': value = None
+ if isinstance(old_value, list): value = [value]
+
+ setattr(self.metadata, name, value)
+
+ def on_close(self, event=None):
+ for ctrl in self._to_validate:
+ ctrl.SetBackgroundColour(wx.WHITE)
+ if ctrl.GetValue() == '': continue
+ if not check_float(ctrl):
+ msg = "{} must be a valid float".format(
+ ctrl.GetName().replace("_", " "))
+ wx.PostEvent(self.parent.manager.parent.manager.parent,
+ StatusEvent(status=msg, info='error'))
+ return False
+ for vector_in in self._vectors:
+ is_valid, invalid_ctrl = vector_in.Validate()
+ if not is_valid:
+ msg = "{} must be a valid float".format(
+ invalid_ctrl.GetName().replace("_", " "))
+ wx.PostEvent(self.parent.manager.parent.manager.parent,
+ StatusEvent(status=msg, info='error'))
+ return False
+ setattr(self.metadata, vector_in.GetName(), vector_in.GetValue())
+ return True
+
+class DetectorPanel(MetadataPanel):
+
+ def __init__(self, parent, detector, base=None, *args, **kwargs):
+ if detector.name is None:
+ detector.name = ''
+
+ MetadataPanel.__init__(self, parent, detector, base, *args, **kwargs)
+
+ self._do_layout()
+ self.SetAutoLayout(True)
+ self.Layout()
+
+ def on_close(self, event=None):
+ if not MetadataPanel.on_close(self, event):
+ return
+
+ self.parent.manager.detector = self.metadata
+ self.parent.on_close(event)
+
+ def _do_layout(self):
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ section = wx.StaticBox(self, -1, "Detector")
+ section_sizer = wx.StaticBoxSizer(section, wx.VERTICAL)
+ section_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ input_grid = wx.GridBagSizer(5, 5)
+
+ y = 0
+ name_label = wx.StaticText(self, -1, "Name: ")
+ input_grid.Add(name_label, (y,0), (1,1), wx.ALL, 5)
+ name_input = wx.TextCtrl(self, -1, name="name")
+ input_grid.Add(name_input, (y,1), (1,1))
+ name_input.Bind(wx.EVT_TEXT, self.on_change)
+ y += 1
+
+ distance_label = wx.StaticText(self, -1,
+ "Distance (mm): ")
+ input_grid.Add(distance_label, (y, 0), (1,1), wx.ALL, 5)
+ distance_input = wx.TextCtrl(self, -1,
+ name="distance", size=(50,-1))
+ input_grid.Add(distance_input, (y,1), (1,1))
+ distance_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(distance_input)
+ y += 1
+
+ offset_label = wx.StaticText(self, -1, "Offset (mm): ")
+ input_grid.Add(offset_label, (y,0), (1,1), wx.ALL, 5)
+ offset_input = VectorInput(self, "offset")
+ input_grid.Add(offset_input.GetSizer(), (y,1), (1,1))
+ self._vectors.append(offset_input)
+ y += 1
+
+ orientation_label = wx.StaticText(self, -1, "Orientation (\xb0): ")
+ input_grid.Add(orientation_label, (y,0), (1,1), wx.ALL, 5)
+ orientation_input = VectorInput(self, "orientation", z_enabled=True,
+ labels=["Roll: ", "Pitch: ", "Yaw: "])
+ input_grid.Add(orientation_input.GetSizer(), (y,1), (1,1))
+ self._vectors.append(orientation_input)
+ y += 1
+
+ pixel_label = wx.StaticText(self, -1, "Pixel Size (mm): ")
+ input_grid.Add(pixel_label, (y,0), (1,1), wx.ALL, 5)
+ pixel_input = VectorInput(self, "pixel_size")
+ input_grid.Add(pixel_input.GetSizer(), (y,1), (1,1))
+ self._vectors.append(pixel_input)
+ y += 1
+
+ beam_label = wx.StaticText(self, -1, "Beam Center (mm): ")
+ input_grid.Add(beam_label, (y,0), (1,1), wx.ALL, 5)
+ beam_input = VectorInput(self, "beam_center")
+ input_grid.Add(beam_input.GetSizer(), (y,1), (1,1))
+ self._vectors.append(beam_input)
+ y += 1
+
+ slit_label = wx.StaticText(self, -1, "Slit Length (mm): ")
+ input_grid.Add(slit_label, (y,0), (1,1), wx.ALL, 5)
+ slit_input = wx.TextCtrl(self, -1, name="slit_length", size=(50,-1))
+ input_grid.Add(slit_input, (y,1), (1,1))
+ slit_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(slit_input)
+ y += 1
+
+ done_btn = wx.Button(self, -1, "Done")
+ input_grid.Add(done_btn, (y,0), (1,1), wx.ALL, 5)
+ done_btn.Bind(wx.EVT_BUTTON, self.on_close)
+
+ section_sizer.Add(input_grid)
+ vbox.Add(section_sizer, flag=wx.ALL, border=10)
+
+ name_input.SetValue(self.metadata.name)
+ distance = self.get_property_string("distance", is_float=True)
+ distance_input.SetValue(distance)
+ offset_input.SetValue(self.metadata.offset)
+ orientation_input.SetValue(self.metadata.orientation)
+ pixel_input.SetValue(self.metadata.pixel_size)
+ beam_input.SetValue(self.metadata.beam_center)
+ slit_len = self.get_property_string("slit_length", is_float=True)
+ slit_input.SetValue(slit_len)
+
+ vbox.Fit(self)
+ self.SetSizer(vbox)
+
+class SamplePanel(MetadataPanel):
+
+ def __init__(self, parent, sample, base=None, *args, **kwargs):
+ MetadataPanel.__init__(self, parent, sample, base, *args, **kwargs)
+ if sample.name is None:
+ sample.name = ''
+
+ self._do_layout()
+ self.SetAutoLayout(True)
+ self.Layout()
+
+ def on_close(self, event=None):
+ if not MetadataPanel.on_close(self, event):
+ return
+
+ self.parent.manager.sample = self.metadata
+ self.parent.on_close(event)
+
+ def _do_layout(self):
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ section = wx.StaticBox(self, -1, "Sample")
+ section_sizer = wx.StaticBoxSizer(section, wx.VERTICAL)
+ section_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ input_grid = wx.GridBagSizer(5, 5)
+
+ y = 0
+ name_label = wx.StaticText(self, -1, "Name: ")
+ input_grid.Add(name_label, (y,0), (1,1), wx.ALL, 5)
+ name_input = wx.TextCtrl(self, -1, name="name")
+ input_grid.Add(name_input, (y,1), (1,1))
+ name_input.Bind(wx.EVT_TEXT, self.on_change)
+ y += 1
+
+ thickness_label = wx.StaticText(self, -1, "Thickness (mm): ")
+ input_grid.Add(thickness_label, (y,0), (1,1), wx.ALL, 5)
+ thickness_input = wx.TextCtrl(self, -1, name="thickness")
+ input_grid.Add(thickness_input, (y,1), (1,1))
+ thickness_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(thickness_input)
+ y += 1
+
+ transmission_label = wx.StaticText(self, -1, "Transmission: ")
+ input_grid.Add(transmission_label, (y,0), (1,1), wx.ALL, 5)
+ transmission_input = wx.TextCtrl(self, -1, name="transmission")
+ input_grid.Add(transmission_input, (y,1), (1,1))
+ transmission_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(transmission_input)
+ y += 1
+
+ temperature_label = wx.StaticText(self, -1, "Temperature: ")
+ input_grid.Add(temperature_label, (y,0), (1,1), wx.ALL, 5)
+ temperature_input = wx.TextCtrl(self, -1, name="temperature")
+ temperature_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(temperature_input)
+ input_grid.Add(temperature_input, (y,1), (1,1))
+ temp_unit_label = wx.StaticText(self, -1, "Unit: ")
+ input_grid.Add(temp_unit_label, (y,2), (1,1))
+ temp_unit_input = wx.TextCtrl(self, -1, name="temperature_unit",
+ size=(50,-1))
+ temp_unit_input.Bind(wx.EVT_TEXT, self.on_change)
+ input_grid.Add(temp_unit_input, (y,3), (1,1))
+ y += 1
+
+ position_label = wx.StaticText(self, -1, "Position (mm): ")
+ input_grid.Add(position_label, (y,0), (1,1), wx.ALL, 5)
+ position_input = VectorInput(self, "position")
+ self._vectors.append(position_input)
+ input_grid.Add(position_input.GetSizer(), (y,1), (1,2))
+ y += 1
+
+ orientation_label = wx.StaticText(self, -1, "Orientation (\xb0): ")
+ input_grid.Add(orientation_label, (y,0), (1,1), wx.ALL, 5)
+ orientation_input = VectorInput(self, "orientation",
+ labels=["Roll: ", "Pitch: ", "Yaw: "], z_enabled=True)
+ self._vectors.append(orientation_input)
+ input_grid.Add(orientation_input.GetSizer(), (y,1), (1,3))
+ y += 1
+
+ details_label = wx.StaticText(self, -1, "Details: ")
+ input_grid.Add(details_label, (y,0), (1,1), wx.ALL, 5)
+ details_input = wx.TextCtrl(self, -1, name="details",
+ style=wx.TE_MULTILINE)
+ input_grid.Add(details_input, (y,1), (3,3), wx.EXPAND)
+ y += 3
+
+ name_input.SetValue(self.metadata.name)
+ thickness_input.SetValue(
+ self.get_property_string("thickness", is_float=True))
+ transmission_input.SetValue(
+ self.get_property_string("transmission", is_float=True))
+ temperature_input.SetValue(
+ self.get_property_string("temperature", is_float=True))
+ temp_unit_input.SetValue(self.get_property_string("temperature_unit"))
+ position_input.SetValue(self.metadata.position)
+ orientation_input.SetValue(self.metadata.orientation)
+ details_input.SetValue(self.get_property_string("details"))
+ details_input.Bind(wx.EVT_TEXT, self.on_change)
+
+ done_btn = wx.Button(self, -1, "Done")
+ input_grid.Add(done_btn, (y,0), (1,1), wx.ALL, 5)
+ done_btn.Bind(wx.EVT_BUTTON, self.on_close)
+
+ section_sizer.Add(input_grid)
+ vbox.Add(section_sizer, flag=wx.ALL, border=10)
+
+ vbox.Fit(self)
+ self.SetSizer(vbox)
+
+class SourcePanel(MetadataPanel):
+
+ def __init__(self, parent, source, base=None, *args, **kwargs):
+ MetadataPanel.__init__(self, parent, source, base, *args, **kwargs)
+ if source.name is None:
+ source.name = ''
+ source.wavelength_unit = 'nm'
+
+ self._do_layout()
+ self.SetAutoLayout(True)
+ self.Layout()
+
+ def on_close(self, event=None):
+ if not MetadataPanel.on_close(self, event):
+ return
+
+ self.parent.manager.source = self.metadata
+ self.parent.on_close(event)
+
+ def _do_layout(self):
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ section = wx.StaticBox(self, -1, "Source")
+ section_sizer = wx.StaticBoxSizer(section, wx.VERTICAL)
+ section_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+
+ input_grid = wx.GridBagSizer(5, 5)
+
+ y = 0
+ name_label = wx.StaticText(self, -1, "Name: ")
+ input_grid.Add(name_label, (y,0), (1,1), wx.ALL, 5)
+ name_input = wx.TextCtrl(self, -1, name="name")
+ input_grid.Add(name_input, (y,1), (1,1))
+ name_input.Bind(wx.EVT_TEXT, self.on_change)
+ y += 1
+
+ size_label = wx.StaticText(self, -1, "Beam Size (mm): ")
+ input_grid.Add(size_label, (y,0), (1,1), wx.ALL, 5)
+ size_input = VectorInput(self, "beam_size")
+ self._vectors.append(size_input)
+ input_grid.Add(size_input.GetSizer(), (y,1), (1,1))
+ y += 1
+
+ shape_label = wx.StaticText(self, -1, "Beam Shape: ")
+ input_grid.Add(shape_label, (y,0), (1,1), wx.ALL, 5)
+ shape_input = wx.TextCtrl(self, -1, name="beam_shape")
+ shape_input.Bind(wx.EVT_TEXT, self.on_change)
+ input_grid.Add(shape_input, (y,1), (1,1))
+ y += 1
+
+ wavelength_label = wx.StaticText(self, -1, "Wavelength (nm): ")
+ input_grid.Add(wavelength_label, (y,0), (1,1), wx.ALL, 5)
+ wavelength_input = wx.TextCtrl(self, -1, name="wavelength",
+ size=(50,-1))
+ wavelength_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(wavelength_input)
+ input_grid.Add(wavelength_input, (y,1), (1,1))
+ y += 1
+
+ min_wavelength_label = wx.StaticText(self, -1, "Min. Wavelength (nm): ")
+ input_grid.Add(min_wavelength_label, (y,0), (1,1), wx.ALL, 5)
+ min_wavelength_input = wx.TextCtrl(self, -1, name="wavelength_min",
+ size=(50,-1))
+ min_wavelength_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(min_wavelength_input)
+ input_grid.Add(min_wavelength_input, (y,1), (1,1))
+ y += 1
+
+ max_wavelength_label = wx.StaticText(self, -1, "Max. Wavelength (nm): ")
+ input_grid.Add(max_wavelength_label, (y,0), (1,1), wx.ALL, 5)
+ max_wavelength_input = wx.TextCtrl(self, -1, name="wavelength_max",
+ size=(50,-1))
+ max_wavelength_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(max_wavelength_input)
+ input_grid.Add(max_wavelength_input, (y,1), (1,1))
+ y += 1
+
+ wavelength_spread_label = wx.StaticText(self, -1,
+ "Wavelength Spread (%): ")
+ input_grid.Add(wavelength_spread_label, (y,0), (1,1), wx.ALL, 5)
+ wavelength_spread_input = wx.TextCtrl(self, -1,
+ name="wavelength_spread", size=(50,-1))
+ wavelength_spread_input.Bind(wx.EVT_TEXT, self.on_change)
+ self._to_validate.append(wavelength_spread_input)
+ input_grid.Add(wavelength_spread_input, (y,1), (1,1))
+ y += 1
+
+ name_input.SetValue(self.get_property_string("name"))
+ size_input.SetValue(self.metadata.beam_size)
+ shape_input.SetValue(self.get_property_string("beam_shape"))
+ wavelength_input.SetValue(
+ self.get_property_string("wavelength", is_float=True))
+ min_wavelength_input.SetValue(
+ self.get_property_string("wavelength_min", is_float=True))
+ max_wavelength_input.SetValue(
+ self.get_property_string("wavelength_max", is_float=True))
+
+ done_btn = wx.Button(self, -1, "Done")
+ input_grid.Add(done_btn, (y,0), (1,1), wx.ALL, 5)
+ done_btn.Bind(wx.EVT_BUTTON, self.on_close)
+
+ section_sizer.Add(input_grid)
+ vbox.Add(section_sizer, flag=wx.ALL, border=10)
+
+ vbox.Fit(self)
+ self.SetSizer(vbox)
+
+
+class MetadataWindow(widget.CHILD_FRAME):
+
+ def __init__(self, PanelClass, parent=None, title='', base=None,
+ manager=None, size=(PANEL_SIZE, PANEL_SIZE*0.8), metadata=None,
+ *args, **kwargs):
+ kwargs['title'] = title
+ kwargs['size'] = size
+ widget.CHILD_FRAME.__init__(self, parent, *args, **kwargs)
+
+ self.manager = manager
+ self.panel = PanelClass(self, metadata, base=None)
+ self.Bind(wx.EVT_CLOSE, self.on_close)
+
+ def on_close(self, event):
+ if self.manager is not None:
+ self.manager.meta_frames.remove(self)
+ self.Destroy()
diff --git a/src/sas/sasgui/perspectives/fitting/__init__.py b/src/sas/sasgui/perspectives/fitting/__init__.py
new file mode 100644
index 0000000..9367b5b
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/__init__.py
@@ -0,0 +1,48 @@
+PLUGIN_ID = "Fitting plug-in 1.0"
+import os
+from fitting import *
+from distutils.filelist import findall
+def get_data_path(media):
+ """
+ """
+ # Check for data path in the package
+ path = os.path.join(os.path.dirname(__file__), media)
+ if os.path.isdir(path):
+ return path
+
+ # Check for data path next to exe/zip file.
+ # If we are inside a py2exe zip file, we need to go up
+ # to get to the directory containing
+ # the media for this module
+ path = os.path.dirname(__file__)
+ #Look for maximum n_dir up of the current dir to find media
+ n_dir = 12
+ for i in range(n_dir):
+ path, _ = os.path.split(path)
+ media_path = os.path.join(path, media)
+ if os.path.isdir(media_path):
+ module_media_path = os.path.join(media_path, 'fitting_media')
+ if os.path.isdir(module_media_path):
+ return module_media_path
+ return media_path
+
+ raise RuntimeError('Could not find models media files')
+
+def data_files():
+ """
+ Return the data files associated with media.
+
+ The format is a list of (directory, [files...]) pairs which can be
+ used directly in setup(...,data_files=...) for setup.py.
+
+ """
+ data_files = []
+ path = os.path.dirname(__file__)
+ p_path = os.path.join(path, 'plugin_models')
+ for f in findall(p_path):
+ data_files.append(('plugin_models', [f]))
+ # path = get_data_path(media="media")
+ for f in findall(path):
+ data_files.append(('media/fitting_media', [f]))
+
+ return data_files
diff --git a/src/sas/sasgui/perspectives/fitting/basepage.py b/src/sas/sasgui/perspectives/fitting/basepage.py
new file mode 100644
index 0000000..a5508c9
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/basepage.py
@@ -0,0 +1,3777 @@
+"""
+Base Page for fitting
+"""
+import sys
+import os
+import wx
+import numpy
+import time
+import copy
+import math
+import json
+import logging
+import traceback
+
+from collections import defaultdict
+from wx.lib.scrolledpanel import ScrolledPanel
+
+from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.utils import format_number, check_float, IdList, \
+ check_int
+from sas.sasgui.guiframe.events import PanelOnFocusEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import AppendBookmarkEvent
+from sas.sasgui.guiframe.dataFitting import Data2D
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.dataFitting import check_data_validity
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sascalc.dataloader.data_info import Detector
+from sas.sascalc.dataloader.data_info import Source
+from sas.sasgui.perspectives.fitting.pagestate import PageState
+from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+
+(PageInfoEvent, EVT_PAGE_INFO) = wx.lib.newevent.NewEvent()
+(PreviousStateEvent, EVT_PREVIOUS_STATE) = wx.lib.newevent.NewEvent()
+(NextStateEvent, EVT_NEXT_STATE) = wx.lib.newevent.NewEvent()
+
+_BOX_WIDTH = 76
+_QMIN_DEFAULT = 0.0005
+_QMAX_DEFAULT = 0.5
+_NPTS_DEFAULT = 50
+# Control panel width
+if sys.platform.count("win32") > 0:
+ PANEL_WIDTH = 450
+ FONT_VARIANT = 0
+ ON_MAC = False
+else:
+ PANEL_WIDTH = 500
+ FONT_VARIANT = 1
+ ON_MAC = True
+
+CUSTOM_MODEL = 'Plugin Models'
+
+class BasicPage(ScrolledPanel, PanelBase):
+ """
+ This class provide general structure of the fitpanel page
+ """
+ # Internal name for the AUI manager
+ window_name = "Fit Page"
+ # Title to appear on top of the window
+ window_caption = "Fit Page "
+
+ # These two buttons have specific IDs since they seem to be created more
+ # frequently than they need to. In particular, set_dispers_sizer() is
+ # called by _on_select_model
+ ID_BOOKMARK = wx.NewId()
+ ID_DISPERSER_HELP = wx.NewId()
+ _id_pool = IdList()
+
+ def __init__(self, parent, color='blue', **kwargs):
+ """
+ """
+ ScrolledPanel.__init__(self, parent, **kwargs)
+ PanelBase.__init__(self, parent)
+ self.SetupScrolling()
+ # Set window's font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.SetBackgroundColour(color)
+
+ self._ids = iter(self._id_pool)
+ # parent of the page
+ self.parent = parent
+ # manager is the fitting plugin
+ # owner of the page (fitting plugin)
+ self.event_owner = None
+ # current model
+ self.model = None
+ self.m_name = None
+ self.index_model = None
+ self.panel = None
+ # data
+ self.data = None
+ # list of available data
+ self.data_list = []
+ self.mask = None
+ self.uid = wx.NewId()
+ self.graph_id = None
+ # Q range for data set
+ self.qmin_data_set = numpy.inf
+ self.qmax_data_set = None
+ self.npts_data_set = 0
+ # Q range
+ self.qmin = None
+ self.qmax = None
+ self.qmax_x = _QMAX_DEFAULT
+ self.qmin_x = _QMIN_DEFAULT
+ self.npts_x = _NPTS_DEFAULT
+ # total number of point: float
+ self.npts = None
+ self.num_points = None
+ # smear default
+ self.current_smearer = None
+ # 2D smear accuracy default
+ self.smear2d_accuracy = 'Low'
+ # slit smear:
+ self.dxl = None
+ self.dxw = None
+ # pinhole smear
+ self.dx_percent = None
+ # smear attrbs
+ self.enable_smearer = None
+ self.disable_smearer = None
+ self.pinhole_smearer = None
+ self.slit_smearer = None
+ # weight attrbs
+ self.dI_noweight = None
+ self.dI_didata = None
+ self.dI_sqrdata = None
+ self.dI_idata = None
+ # other attrbs
+ self.dq_l = None
+ self.dq_r = None
+ self.tcChi = None
+ self.disp_box = None
+ self.model_disp = None
+ self.Npts_fit = None
+ self.Npts_total = None
+ self.theory_qmin = None
+ self.theory_qmax = None
+ self.theory_qmin_x = None
+ self.theory_qmax_x = None
+ self.btEditMask = None
+ self.btFit = None
+ self.sld_axes = None
+ self.multi_factor = None
+
+ self.disp_cb_dict = {}
+
+ # self.state = PageState(parent=parent)
+ # dictionary containing list of models
+ self.model_list_box = {}
+
+ # Data member to store the dispersion object created
+ self._disp_obj_dict = {}
+ # selected parameters to apply dispersion
+ self.disp_cb_dict = {}
+ # smearer object
+ self.enable2D = False
+ self._has_magnetic = False
+ self.magnetic_on = False
+ self.is_mac = ON_MAC
+ self.formfactorbox = None
+ self.structurebox = None
+ self.categorybox = None
+ # list of model parameters. each item must have same length
+ # each item related to a given parameters
+ # [cb state, name, value, "+/-", error of fit, min, max , units]
+ self.parameters = []
+ # non-fittable parameter whose value is astring
+ self.str_parameters = []
+ # list of parameters to fit , must be like self.parameters
+ self.param_toFit = []
+ # list of looking like parameters but with non fittable parameters info
+ self.fixed_param = []
+ # list of looking like parameters but with fittable parameters info
+ self.fittable_param = []
+ # list of dispersion parameters
+ self.disp_list = []
+ self.disp_name = ""
+
+ # list of orientation parameters
+ self.orientation_params = []
+ self.orientation_params_disp = []
+# Self.model should ALWAYS be None here. It was set to none above in
+# this long init setting. no obvious function call in between setting
+# and this - commenting out on 4/8/2014 by PDB. Remove once clear
+# it is pointless.
+# if self.model is not None:
+# self.disp_list = self.model.getDispParamList()
+ self.temp_multi_functional = False
+ # enable model 2D draw
+ self.enable2D = False
+ # check that the fit range is correct to plot the model again
+ self.fitrange = True
+ # Create memento to save the current state
+ self.state = PageState(parent=self.parent,
+ model=self.model, data=self.data)
+ # flag to determine if state has change
+ self.state_change = False
+ # save customized array
+ self.values = {} # type: Dict[str, List[float, ...]]
+ self.weights = {} # type: Dict[str, List[float, ...]]
+ # retrieve saved state
+ self.number_saved_state = 0
+ # dictionary of saved state
+ self.saved_states = {}
+ # Create context menu for page
+ self.popUpMenu = wx.Menu()
+
+ wx_id = self._ids.next()
+ self._keep = wx.MenuItem(self.popUpMenu, wx_id, "Add bookmark",
+ " Keep the panel status to recall it later")
+ self.popUpMenu.AppendItem(self._keep)
+ self._keep.Enable(False)
+ self._set_bookmark_flag(False)
+ self._set_save_flag(False)
+ wx.EVT_MENU(self, wx_id, self.on_bookmark)
+ self.popUpMenu.AppendSeparator()
+
+ # Default locations
+ self._default_save_location = os.getcwd()
+ # save initial state on context menu
+ # self.onSave(event=None)
+ self.Bind(wx.EVT_CONTEXT_MENU, self.onContextMenu)
+
+ # bind key event
+ self.Bind(wx.EVT_LEFT_DOWN, self.on_left_down)
+
+ # create the basic structure of the panel with empty sizer
+ self.define_page_structure()
+ # drawing Initial dispersion parameters sizer
+ self.set_dispers_sizer()
+
+ # layout
+ self.set_layout()
+
+ def set_index_model(self, index):
+ """
+ Index related to this page
+ """
+ self.index_model = index
+
+ def create_default_data(self):
+ """
+ Given the user selection, creates a 1D or 2D data
+ Only when the page is on theory mode.
+ """
+ if not hasattr(self, "model_view"):
+ return
+ toggle_mode_on = self.model_view.IsEnabled()
+ if toggle_mode_on:
+ if self.enable2D and not check_data_validity(self.data):
+ self._create_default_2d_data()
+ else:
+ if self.pointsbox.GetValue():
+ self._create_log_1d_data()
+ else:
+ self._create_default_1d_data()
+
+ if self.model is not None:
+ if not self.data.is_data:
+ self._manager.page_finder[self.uid].set_fit_data(
+ data=[self.data])
+ self.on_smear_helper(update=True)
+ self.state.enable_smearer = self.enable_smearer.GetValue()
+ self.state.disable_smearer = self.disable_smearer.GetValue()
+ self.state.pinhole_smearer = self.pinhole_smearer.GetValue()
+ self.state.slit_smearer = self.slit_smearer.GetValue()
+
+ def _create_default_1d_data(self):
+ """
+ Create default data for fitting perspective
+ Only when the page is on theory mode.
+ :warning: This data is never plotted.
+
+ """
+ x = numpy.linspace(start=self.qmin_x, stop=self.qmax_x,
+ num=self.npts_x, endpoint=True)
+ self.data = Data1D(x=x)
+ self.data.xaxis('\\rm{Q}', "A^{-1}")
+ self.data.yaxis('\\rm{Intensity}', "cm^{-1}")
+ self.data.is_data = False
+ self.data.id = str(self.uid) + " data"
+ self.data.group_id = str(self.uid) + " Model1D"
+
+ def _create_log_1d_data(self):
+ """
+ Create log-spaced data for fitting perspective
+ Only when the page is on theory mode.
+ :warning: This data is never plotted.
+
+ """
+ if self.qmin_x >= 1.e-10:
+ qmin = numpy.log10(self.qmin_x)
+ else:
+ qmin = -10.
+
+ if self.qmax_x <= 1.e10:
+ qmax = numpy.log10(self.qmax_x)
+ else:
+ qmax = 10.
+
+ x = numpy.logspace(start=qmin, stop=qmax,
+ num=self.npts_x, endpoint=True, base=10.0)
+ self.data = Data1D(x=x)
+ self.data.xaxis('\\rm{Q}', "A^{-1}")
+ self.data.yaxis('\\rm{Intensity}', "cm^{-1}")
+ self.data.is_data = False
+ self.data.id = str(self.uid) + " data"
+ self.data.group_id = str(self.uid) + " Model1D"
+
+ def _create_default_2d_data(self):
+ """
+ Create 2D data by default
+ Only when the page is on theory mode.
+ :warning: This data is never plotted.
+ """
+ self.data = Data2D()
+ qmax = self.qmax_x / math.sqrt(2)
+ self.data.xaxis('\\rm{Q_{x}}', 'A^{-1}')
+ self.data.yaxis('\\rm{Q_{y}}', 'A^{-1}')
+ self.data.is_data = False
+ self.data.id = str(self.uid) + " data"
+ self.data.group_id = str(self.uid) + " Model2D"
+ # Default values
+ self.data.detector.append(Detector())
+ index = len(self.data.detector) - 1
+ self.data.detector[index].distance = 8000 # mm
+ self.data.source.wavelength = 6 # A
+ self.data.detector[index].pixel_size.x = 5 # mm
+ self.data.detector[index].pixel_size.y = 5 # mm
+ self.data.detector[index].beam_center.x = qmax
+ self.data.detector[index].beam_center.y = qmax
+ xmax = qmax
+ xmin = -qmax
+ ymax = qmax
+ ymin = -qmax
+ qstep = self.npts_x
+
+ x = numpy.linspace(start=xmin, stop=xmax, num=qstep, endpoint=True)
+ y = numpy.linspace(start=ymin, stop=ymax, num=qstep, endpoint=True)
+ # use data info instead
+ new_x = numpy.tile(x, (len(y), 1))
+ new_y = numpy.tile(y, (len(x), 1))
+ new_y = new_y.swapaxes(0, 1)
+ # all data reuire now in 1d array
+ qx_data = new_x.flatten()
+ qy_data = new_y.flatten()
+ q_data = numpy.sqrt(qx_data * qx_data + qy_data * qy_data)
+ # set all True (standing for unmasked) as default
+ mask = numpy.ones(len(qx_data), dtype=bool)
+ # store x and y bin centers in q space
+ x_bins = x
+ y_bins = y
+
+ self.data.source = Source()
+ self.data.data = numpy.ones(len(mask))
+ self.data.err_data = numpy.ones(len(mask))
+ self.data.qx_data = qx_data
+ self.data.qy_data = qy_data
+ self.data.q_data = q_data
+ self.data.mask = mask
+ self.data.x_bins = x_bins
+ self.data.y_bins = y_bins
+ # max and min taking account of the bin sizes
+ self.data.xmin = xmin
+ self.data.xmax = xmax
+ self.data.ymin = ymin
+ self.data.ymax = ymax
+
+ def on_set_focus(self, event):
+ """
+ On Set Focus, update guimanger and menu
+ """
+ if self._manager is not None:
+ wx.PostEvent(self._manager.parent, PanelOnFocusEvent(panel=self))
+ self.on_tap_focus()
+
+ def on_tap_focus(self):
+ """
+ Update menu1 on cliking the page tap
+ """
+ if self._manager.menu1 is not None:
+ chain_menu = self._manager.menu1.FindItemById(
+ self._manager.id_reset_flag)
+ chain_menu.Enable(self.batch_on)
+ sim_menu = self._manager.menu1.FindItemById(self._manager.id_simfit)
+ flag = self.data.is_data\
+ and (self.model is not None)
+ sim_menu.Enable(not self.batch_on and flag)
+ batch_menu = \
+ self._manager.menu1.FindItemById(self._manager.id_batchfit)
+ batch_menu.Enable(self.batch_on and flag)
+
+ def onContextMenu(self, event):
+ """
+ Retrieve the state selected state
+ """
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(self.popUpMenu, pos)
+
+ def onUndo(self, event):
+ """
+ Cancel the previous action
+ """
+ event = PreviousStateEvent(page=self)
+ wx.PostEvent(self.parent, event)
+
+ def onRedo(self, event):
+ """
+ Restore the previous action cancelled
+ """
+ event = NextStateEvent(page=self)
+ wx.PostEvent(self.parent, event)
+
+ def define_page_structure(self):
+ """
+ Create empty sizer for a panel
+ """
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+ self.sizer0 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer1 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer2 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer3 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer4 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer5 = wx.BoxSizer(wx.VERTICAL)
+ self.sizer6 = wx.BoxSizer(wx.VERTICAL)
+
+ self.sizer0.SetMinSize((PANEL_WIDTH, -1))
+ self.sizer1.SetMinSize((PANEL_WIDTH, -1))
+ self.sizer2.SetMinSize((PANEL_WIDTH, -1))
+ self.sizer3.SetMinSize((PANEL_WIDTH, -1))
+ self.sizer4.SetMinSize((PANEL_WIDTH, -1))
+ self.sizer5.SetMinSize((PANEL_WIDTH, -1))
+ self.sizer6.SetMinSize((PANEL_WIDTH, -1))
+
+ self.vbox.Add(self.sizer0)
+ self.vbox.Add(self.sizer1)
+ self.vbox.Add(self.sizer2)
+ self.vbox.Add(self.sizer3)
+ self.vbox.Add(self.sizer4)
+ self.vbox.Add(self.sizer5)
+ self.vbox.Add(self.sizer6)
+
+ def set_layout(self):
+ """
+ layout
+ """
+ self.vbox.Layout()
+ self.vbox.Fit(self)
+ self.SetSizer(self.vbox)
+ self.Centre()
+
+ def set_owner(self, owner):
+ """
+ set owner of fitpage
+
+ :param owner: the class responsible of plotting
+
+ """
+ self.event_owner = owner
+ self.state.event_owner = owner
+
+ def get_state(self):
+ """
+ return the current page state
+ """
+ return self.state
+
+ def get_data(self):
+ """
+ return the current data
+ """
+ return self.data
+
+ def get_data_list(self):
+ """
+ return the current data
+ """
+ return self.data_list
+
+ def set_manager(self, manager):
+ """
+ set panel manager
+
+ :param manager: instance of plugin fitting
+
+ """
+ self._manager = manager
+ self.state.manager = manager
+
+ def populate_box(self, model_dict):
+ """
+ Store list of model
+
+ :param model_dict: dictionary containing list of models
+
+ """
+ self.model_list_box = model_dict
+ self.state.model_list_box = self.model_list_box
+ self.initialize_combox()
+
+ def set_model_dictionary(self, model_dict):
+ """
+ Store a dictionary linking model name -> model object
+
+ :param model_dict: dictionary containing list of models
+ """
+ self.model_dict = model_dict
+
+ def initialize_combox(self):
+ """
+ put default value in the combo box
+ """
+ if self.model_list_box is not None and len(self.model_list_box) > 0:
+ self._populate_box(self.structurebox,
+ self.model_list_box["Structure Factors"])
+ self.structurebox.Insert("None", 0, None)
+ self.structurebox.SetSelection(0)
+ self.structurebox.Hide()
+ self.text2.Hide()
+ self.structurebox.Disable()
+ self.text2.Disable()
+
+ def set_dispers_sizer(self):
+ """
+ fill sizer containing dispersity info
+ """
+ # print "==== entering set_dispers_sizer ==="
+ self.sizer4.Clear(True)
+ name = "Polydispersity and Orientational Distribution"
+ box_description = wx.StaticBox(self, wx.ID_ANY, name)
+ box_description.SetForegroundColour(wx.BLUE)
+ boxsizer1 = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ # ----------------------------------------------------
+ self.disable_disp = wx.RadioButton(self, wx.ID_ANY, 'Off', (10, 10),
+ style=wx.RB_GROUP)
+ self.enable_disp = wx.RadioButton(self, wx.ID_ANY, 'On', (10, 30))
+ # best size for MAC and PC
+ if ON_MAC:
+ size_q = (30, 20)
+ else:
+ size_q = (20, 15)
+ self.disp_help_bt = wx.Button(self, self.ID_DISPERSER_HELP, '?',
+ style=wx.BU_EXACTFIT,
+ size=size_q)
+ self.disp_help_bt.Bind(wx.EVT_BUTTON, self.on_pd_help_clicked,
+ id=self.disp_help_bt.GetId())
+ self.disp_help_bt.SetToolTipString("Help for polydispersion.")
+
+ self.Bind(wx.EVT_RADIOBUTTON, self._set_dipers_Param,
+ id=self.disable_disp.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self._set_dipers_Param,
+ id=self.enable_disp.GetId())
+ # MAC needs SetValue
+ self.disable_disp.SetValue(True)
+ sizer_dispersion = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_dispersion.Add((20, 20))
+ name = "" # Polydispersity and \nOrientational Distribution "
+ sizer_dispersion.Add(wx.StaticText(self, wx.ID_ANY, name))
+ sizer_dispersion.Add(self.enable_disp)
+ sizer_dispersion.Add((20, 20))
+ sizer_dispersion.Add(self.disable_disp)
+ sizer_dispersion.Add((25, 20))
+ sizer_dispersion.Add(self.disp_help_bt)
+
+ # fill a sizer for dispersion
+ boxsizer1.Add(sizer_dispersion, 0,
+ wx.TOP|wx.BOTTOM|wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE,
+ border=5)
+ self.sizer4_4 = wx.GridBagSizer(6, 5)
+
+ boxsizer1.Add(self.sizer4_4)
+ # -----------------------------------------------------
+ self.sizer4.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+ self.sizer4_4.Layout()
+ self.sizer4.Layout()
+ self.Layout()
+
+ self.Refresh()
+ # saving the state of enable dispersity button
+ self.state.enable_disp = self.enable_disp.GetValue()
+ self.state.disable_disp = self.disable_disp.GetValue()
+ self.SetupScrolling()
+
+ def onResetModel(self, event):
+ """
+ Reset model state
+ """
+ menu = event.GetEventObject()
+ # post help message for the selected model
+ msg = menu.GetHelpString(event.GetId())
+ msg += " reloaded"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ self.Show(False)
+ name = menu.GetLabel(event.GetId())
+ self._on_select_model_helper()
+ if self.model is not None:
+ self.m_name = self.model.name
+ if name in self.saved_states.keys():
+ previous_state = self.saved_states[name]
+ # reset state of checkbox,textcrtl and regular parameters value
+
+ self.reset_page(previous_state)
+ self.state.m_name = self.m_name
+ self.Show(True)
+
+ def on_preview(self, event):
+ """
+ Report the current fit results
+ """
+ # Get plot image from plotpanel
+ images, canvases = self.get_images()
+ # get the report dialog
+ self.state.report(images, canvases)
+
+ def on_save(self, event):
+ """
+ Save the current state into file
+ """
+ self.save_current_state()
+ new_state = self.state.clone()
+ # Ask the user the location of the file to write to.
+ path = None
+ if self.parent is not None:
+ self._default_save_location = \
+ self._manager.parent._default_save_location
+ dlg = wx.FileDialog(self, "Choose a file", self._default_save_location,
+ self.window_caption, "*.fitv", wx.SAVE)
+
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ self._default_save_location = os.path.dirname(path)
+ self._manager.parent._default_save_location = \
+ self._default_save_location
+ else:
+ return None
+ # MAC always needs the extension for saving
+ extens = ".fitv"
+ # Make sure the ext included in the file name
+ fName = os.path.splitext(path)[0] + extens
+ # the manager write the state into file
+ self._manager.save_fit_state(filepath=fName, fitstate=new_state)
+ return new_state
+
+ def on_copy(self, event):
+ """
+ Copy Parameter values to the clipboad
+ """
+ if event is not None:
+ event.Skip()
+ # It seems MAC needs wxCallAfter
+ if event.GetId() == GUIFRAME_ID.COPYEX_ID:
+ print "copy excel"
+ wx.CallAfter(self.get_copy_excel)
+ elif event.GetId() == GUIFRAME_ID.COPYLAT_ID:
+ print "copy latex"
+ wx.CallAfter(self.get_copy_latex)
+ else:
+ wx.CallAfter(self.get_copy)
+
+ def on_paste(self, event):
+ """
+ Paste Parameter values to the panel if possible
+ """
+ # if event is not None:
+ # event.Skip()
+ # It seems MAC needs wxCallAfter for the setvalues
+ # for multiple textctrl items, otherwise it tends to crash once a while
+ wx.CallAfter(self.get_paste)
+ # messages depending on the flag
+ # self._copy_info(True)
+
+ def _copy_info(self, flag):
+ """
+ Send event depending on flag
+
+ : Param flag: flag that distinguishes the event
+ """
+ # messages depending on the flag
+ if flag is None:
+ msg = " Parameter values are copied to the clipboard..."
+ infor = 'warning'
+ elif flag:
+ msg = " Parameter values are pasted from the clipboard..."
+ infor = "warning"
+ else:
+ msg = "Error occurred: "
+ msg += "No valid parameter values to paste from the clipboard..."
+ infor = "warning"
+ # inform msg to wx
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info=infor))
+
+ def _get_time_stamp(self):
+ """
+ return time and date stings
+ """
+ # date and time
+ year, month, day, hour, minute, second, _, _, _ = time.localtime()
+ current_time = str(hour) + ":" + str(minute) + ":" + str(second)
+ current_date = str(month) + "/" + str(day) + "/" + str(year)
+ return current_time, current_date
+
+ def on_bookmark(self, event):
+ """
+ save history of the data and model
+ """
+ if self.model is None:
+ msg = "Can not bookmark; Please select Data and Model first..."
+ wx.MessageBox(msg, 'Info')
+ return
+ self.save_current_state()
+ new_state = self.state.clone()
+ # Add model state on context menu
+ self.number_saved_state += 1
+ current_time, current_date = self._get_time_stamp()
+ # name= self.model.name+"[%g]"%self.number_saved_state
+ name = "Fitting: %g]" % self.number_saved_state
+ name += self.model.__class__.__name__
+ name += "bookmarked at %s on %s" % (current_time, current_date)
+ self.saved_states[name] = new_state
+
+ # Add item in the context menu
+ msg = "Model saved at %s on %s" % (current_time, current_date)
+ # post help message for the selected model
+ msg += " Saved! right click on this page to retrieve this model"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+
+ self.popUpMenu.Append(self.ID_BOOKMARK, name, str(msg))
+ wx.EVT_MENU(self, self.ID_BOOKMARK, self.onResetModel)
+ wx.PostEvent(self._manager.parent,
+ AppendBookmarkEvent(title=name,
+ hint=str(msg),
+ handler=self._back_to_bookmark))
+
+ def _back_to_bookmark(self, event):
+ """
+ Back to bookmark
+ """
+ self._manager.on_perspective(event)
+ self.onResetModel(event)
+ self._draw_model()
+
+ def onSetFocus(self, evt):
+ """
+ highlight the current textcrtl and hide the error text control shown
+ after fitting
+ """
+ return
+
+ def read_file(self, path):
+ """
+ Read two columns file
+
+ :param path: the path to the file to read
+
+ """
+ try:
+ if path is None:
+ status = " Selected Distribution was not loaded: %s" % path
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=status))
+ return None, None
+ input_f = open(path, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ input_f.close()
+ angles = []
+ weights = []
+ for line in lines:
+ toks = line.split()
+ try:
+ angle = float(toks[0])
+ weight = float(toks[1])
+ angles.append(angle)
+ weights.append(weight)
+ except Exception:
+ # Skip non-data lines
+ logging.error(traceback.format_exc())
+ return numpy.array(angles), numpy.array(weights)
+ except:
+ raise
+
+ def createMemento(self):
+ """
+ return the current state of the page
+ """
+ return self.state.clone()
+
+ def save_current_state(self):
+ """
+ Store current state
+ """
+ # save model option
+ if self.model is not None:
+ self.disp_list = self.model.getDispParamList()
+ self.state.disp_list = copy.deepcopy(self.disp_list)
+ self.state.model = self.model.clone()
+
+ # model combobox: complex code because of mac's silent error
+ if self.structurebox is not None:
+ if self.structurebox.IsShown():
+ self.state.structurecombobox = 'None'
+ s_select = self.structurebox.GetSelection()
+ if s_select > 0:
+ self.state.structurecombobox = \
+ self.structurebox.GetString(s_select)
+ if self.formfactorbox is not None:
+ f_select = self.formfactorbox.GetSelection()
+ if f_select > 0:
+ self.state.formfactorcombobox = \
+ self.formfactorbox.GetString(f_select)
+ if self.categorybox is not None:
+ cb_select = self.categorybox.GetSelection()
+ if cb_select > 0:
+ self.state.categorycombobox = \
+ self.categorybox.GetString(cb_select)
+
+ self.state.enable2D = copy.deepcopy(self.enable2D)
+ self.state.values = copy.deepcopy(self.values)
+ self.state.weights = copy.deepcopy(self.weights)
+ # save data
+ self.state.data = copy.deepcopy(self.data)
+ self.state.qmax_x = self.qmax_x
+ self.state.qmin_x = self.qmin_x
+ self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
+ self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
+ self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
+ self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
+ self.state.dq_l = self.dq_l
+ self.state.dq_r = self.dq_r
+ if hasattr(self, "enable_disp"):
+ self.state.enable_disp = self.enable_disp.GetValue()
+ self.state.disable_disp = self.disable_disp.GetValue()
+
+ self.state.smearer = copy.deepcopy(self.current_smearer)
+ if hasattr(self, "enable_smearer"):
+ self.state.enable_smearer = \
+ copy.deepcopy(self.enable_smearer.GetValue())
+ self.state.disable_smearer = \
+ copy.deepcopy(self.disable_smearer.GetValue())
+
+ self.state.pinhole_smearer = \
+ copy.deepcopy(self.pinhole_smearer.GetValue())
+ self.state.dx_percent = copy.deepcopy(self.dx_percent)
+ self.state.dxl = copy.deepcopy(self.dxl)
+ self.state.dxw = copy.deepcopy(self.dxw)
+ self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
+
+ if len(self._disp_obj_dict) > 0:
+ for k, v in self._disp_obj_dict.iteritems():
+ self.state._disp_obj_dict[k] = v.type
+
+ self.state.values = copy.deepcopy(self.values)
+ self.state.weights = copy.deepcopy(self.weights)
+ # save plotting range
+ self._save_plotting_range()
+
+ self.state.orientation_params = []
+ self.state.orientation_params_disp = []
+ self.state.parameters = []
+ self.state.fittable_param = []
+ self.state.fixed_param = []
+ self.state.str_parameters = []
+
+ # save checkbutton state and txtcrtl values
+ self._copy_parameters_state(self.str_parameters,
+ self.state.str_parameters)
+ self._copy_parameters_state(self.orientation_params,
+ self.state.orientation_params)
+ self._copy_parameters_state(self.orientation_params_disp,
+ self.state.orientation_params_disp)
+
+ self._copy_parameters_state(self.parameters, self.state.parameters)
+ self._copy_parameters_state(self.fittable_param,
+ self.state.fittable_param)
+ self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
+ # save chisqr
+ self.state.tcChi = self.tcChi.GetValue()
+
+ def save_current_state_fit(self):
+ """
+ Store current state for fit_page
+ """
+ # save model option
+ if self.model is not None:
+ self.disp_list = self.model.getDispParamList()
+ self.state.disp_list = copy.deepcopy(self.disp_list)
+ self.state.model = self.model.clone()
+
+ self.state.enable2D = copy.deepcopy(self.enable2D)
+ self.state.values = copy.deepcopy(self.values)
+ self.state.weights = copy.deepcopy(self.weights)
+ # save data
+ self.state.data = copy.deepcopy(self.data)
+
+ if hasattr(self, "enable_disp"):
+ self.state.enable_disp = self.enable_disp.GetValue()
+ self.state.disable_disp = self.disable_disp.GetValue()
+
+ self.state.smearer = copy.deepcopy(self.current_smearer)
+ if hasattr(self, "enable_smearer"):
+ self.state.enable_smearer = \
+ copy.deepcopy(self.enable_smearer.GetValue())
+ self.state.disable_smearer = \
+ copy.deepcopy(self.disable_smearer.GetValue())
+
+ self.state.pinhole_smearer = \
+ copy.deepcopy(self.pinhole_smearer.GetValue())
+ self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
+ self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
+ self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
+ self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
+ self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
+ if hasattr(self, "disp_box") and self.disp_box is not None:
+ self.state.disp_box = self.disp_box.GetCurrentSelection()
+
+ if len(self.disp_cb_dict) > 0:
+ for k, v in self.disp_cb_dict.iteritems():
+ if v is None:
+ self.state.disp_cb_dict[k] = v
+ else:
+ try:
+ self.state.disp_cb_dict[k] = v.GetValue()
+ except:
+ self.state.disp_cb_dict[k] = None
+ if len(self._disp_obj_dict) > 0:
+ for k, v in self._disp_obj_dict.iteritems():
+ self.state._disp_obj_dict[k] = v.type
+
+ self.state.values = copy.deepcopy(self.values)
+ self.state.weights = copy.deepcopy(self.weights)
+
+ # save plotting range
+ self._save_plotting_range()
+
+ # save checkbutton state and txtcrtl values
+ self._copy_parameters_state(self.orientation_params,
+ self.state.orientation_params)
+ self._copy_parameters_state(self.orientation_params_disp,
+ self.state.orientation_params_disp)
+ self._copy_parameters_state(self.parameters, self.state.parameters)
+ self._copy_parameters_state(self.fittable_param,
+ self.state.fittable_param)
+ self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
+
+ def check_invalid_panel(self):
+ """
+ check if the user can already perform some action with this panel
+ """
+ if self.data is None:
+ self.disable_smearer.SetValue(True)
+ self.disable_disp.SetValue(True)
+ msg = "Please load Data and select Model to start..."
+ wx.MessageBox(msg, 'Info')
+ return True
+
+ def set_model_state(self, state):
+ """
+ reset page given a model state
+ """
+ self.disp_cb_dict = state.disp_cb_dict
+ self.disp_list = state.disp_list
+
+ # fill model combobox
+ self._show_combox_helper()
+ # select the current model
+ try:
+ # to support older version
+ category_pos = int(state.categorycombobox)
+ except:
+ category_pos = 0
+ for ind_cat in range(self.categorybox.GetCount()):
+ if self.categorycombobox.GetString(ind_cat) == \
+ state.categorycombobox:
+ category_pos = int(ind_cat)
+ break
+
+ self.categorybox.Select(category_pos)
+ try:
+ # to support older version
+ formfactor_pos = int(state.formfactorcombobox)
+ except:
+ formfactor_pos = 0
+ for ind_form in range(self.formfactorbox.GetCount()):
+ if self.formfactorbox.GetString(ind_form) == \
+ state.formfactorcombobox:
+ formfactor_pos = int(ind_form)
+ break
+
+ self.formfactorbox.Select(formfactor_pos)
+
+ try:
+ # to support older version
+ structfactor_pos = int(state.structurecombobox)
+ except:
+ structfactor_pos = 0
+ for ind_struct in range(self.structurebox.GetCount()):
+ if self.structurebox.GetString(ind_struct) == \
+ state.structurecombobox:
+ structfactor_pos = int(ind_struct)
+ break
+
+ self.structurebox.SetSelection(structfactor_pos)
+
+ if state.multi_factor is not None:
+ self.multifactorbox.SetSelection(state.multi_factor)
+
+ # reset state of checkbox,textcrtl and regular parameters value
+ self._reset_parameters_state(self.orientation_params_disp,
+ state.orientation_params_disp)
+ self._reset_parameters_state(self.orientation_params,
+ state.orientation_params)
+ self._reset_parameters_state(self.str_parameters,
+ state.str_parameters)
+ self._reset_parameters_state(self.parameters, state.parameters)
+ # display dispersion info layer
+ self.enable_disp.SetValue(state.enable_disp)
+ self.disable_disp.SetValue(state.disable_disp)
+
+ if hasattr(self, "disp_box") and self.disp_box is not None:
+ self.disp_box.SetSelection(state.disp_box)
+ n = self.disp_box.GetCurrentSelection()
+ dispersity = self.disp_box.GetClientData(n)
+ name = dispersity.__name__
+ self._set_dipers_Param(event=None)
+
+ if name == "ArrayDispersion":
+
+ for item in self.disp_cb_dict.keys():
+
+ if hasattr(self.disp_cb_dict[item], "SetValue"):
+ self.disp_cb_dict[item].SetValue(
+ state.disp_cb_dict[item])
+ # Create the dispersion objects
+ disp_model = POLYDISPERSITY_MODELS['array']()
+ if hasattr(state, "values") and \
+ self.disp_cb_dict[item].GetValue():
+ if len(state.values) > 0:
+ self.values = state.values
+ self.weights = state.weights
+ disp_model.set_weights(self.values,
+ state.weights)
+ else:
+ self._reset_dispersity()
+
+ self._disp_obj_dict[item] = disp_model
+ # Set the new model as the dispersion object
+ # for the selected parameter
+ self.model.set_dispersion(item, disp_model)
+
+ self.model._persistency_dict[item] = \
+ [state.values, state.weights]
+
+ else:
+ keys = self.model.getParamList()
+ for item in keys:
+ if item in self.disp_list and \
+ item not in self.model.details:
+ self.model.details[item] = ["", None, None]
+ self.disp_cb_dict = copy.deepcopy(state.disp_cb_dict)
+ self.state.disp_cb_dict = copy.deepcopy(state.disp_cb_dict)
+ # smearing info restore
+ if hasattr(self, "enable_smearer"):
+ # set smearing value whether or not the data
+ # contain the smearing info
+ self.enable_smearer.SetValue(state.enable_smearer)
+ self.disable_smearer.SetValue(state.disable_smearer)
+ self.onSmear(event=None)
+ self.pinhole_smearer.SetValue(state.pinhole_smearer)
+ self.slit_smearer.SetValue(state.slit_smearer)
+
+ self.dI_noweight.SetValue(state.dI_noweight)
+ self.dI_didata.SetValue(state.dI_didata)
+ self.dI_sqrdata.SetValue(state.dI_sqrdata)
+ self.dI_idata.SetValue(state.dI_idata)
+
+ # we have two more options for smearing
+ if self.pinhole_smearer.GetValue():
+ self.onPinholeSmear(event=None)
+ elif self.slit_smearer.GetValue():
+ self.onSlitSmear(event=None)
+
+ # reset state of checkbox,textcrtl and dispersity parameters value
+ self._reset_parameters_state(self.fittable_param, state.fittable_param)
+ self._reset_parameters_state(self.fixed_param, state.fixed_param)
+
+ # draw the model with previous parameters value
+ self._onparamEnter_helper()
+ self.select_param(event=None)
+ # Save state_fit
+ self.save_current_state_fit()
+ self._lay_out()
+ self.Refresh()
+
+ def get_cat_combo_box_pos(self, state):
+ """
+ Iterate through the categories to find the structurefactor
+ :return: combo_box_position
+ """
+ for key, value in self.master_category_dict.iteritems():
+ formfactor = state.formfactorcombobox.split(":")
+ if isinstance(formfactor, list):
+ formfactor = formfactor[0]
+ for list_item in value:
+ if formfactor in list_item:
+ return self.categorybox.Items.index(key)
+ return 0
+
+ def reset_page_helper(self, state):
+ """
+ Use page_state and change the state of existing page
+
+ :precondition: the page is already drawn or created
+
+ :postcondition: the state of the underlying data changes as well as the
+ state of the graphic interface
+ """
+ if state is None:
+ return
+ # set data, etc. from the state
+ # reset page between theory and fitting from bookmarking
+ data = state.data
+
+ if data is None:
+ data_min = state.qmin
+ data_max = state.qmax
+ self.qmin_x = data_min
+ self.qmax_x = data_max
+ self.qmin.SetValue(str(data_min))
+ self.qmax.SetValue(str(data_max))
+
+ self.state.data = data
+ self.state.qmin = self.qmin_x
+ self.state.qmax = self.qmax_x
+ else:
+ self.set_data(data)
+
+ self.enable2D = state.enable2D
+ try:
+ self.magnetic_on = state.magnetic_on
+ except:
+ # Backward compatibility (for older state files)
+ self.magnetic_on = False
+
+ self.disp_cb_dict = state.disp_cb_dict
+ self.disp_list = state.disp_list
+
+ # fill model combobox
+ self._show_combox_helper()
+ # select the current model
+ state._convert_to_sasmodels()
+ state.categorycombobox = unicode(state.categorycombobox)
+ if state.categorycombobox in self.categorybox.Items:
+ category_pos = self.categorybox.Items.index(
+ state.categorycombobox)
+ else:
+ # Look in master list for model name (model.lower)
+ category_pos = self.get_cat_combo_box_pos(state)
+
+ self.categorybox.Select(category_pos)
+ self._show_combox(None)
+ from models import PLUGIN_NAME_BASE
+ if self.categorybox.GetValue() == CUSTOM_MODEL \
+ and PLUGIN_NAME_BASE not in state.formfactorcombobox:
+ state.formfactorcombobox = \
+ PLUGIN_NAME_BASE + state.formfactorcombobox
+ formfactor_pos = 0
+ for ind_form in range(self.formfactorbox.GetCount()):
+ if self.formfactorbox.GetString(ind_form) == \
+ (state.formfactorcombobox):
+ formfactor_pos = int(ind_form)
+ break
+
+ self.formfactorbox.Select(formfactor_pos)
+
+ structfactor_pos = 0
+ if state.structurecombobox is not None:
+ state.structurecombobox = unicode(state.structurecombobox)
+ for ind_struct in range(self.structurebox.GetCount()):
+ if self.structurebox.GetString(ind_struct) == \
+ (state.structurecombobox):
+ structfactor_pos = int(ind_struct)
+ break
+
+ self.structurebox.SetSelection(structfactor_pos)
+
+ if state.multi_factor is not None:
+ self.multifactorbox.SetSelection(state.multi_factor)
+
+ # draw the panel according to the new model parameter
+ self._on_select_model(event=None)
+
+ # take care of 2D button
+ if data is None and self.model_view.IsEnabled():
+ if self.enable2D:
+ self.model_view.SetLabel("2D Mode")
+ else:
+ self.model_view.SetLabel("1D Mode")
+
+ # reset state of checkbox,textcrtl and regular parameters value
+ self._reset_parameters_state(self.orientation_params_disp,
+ state.orientation_params_disp)
+ self._reset_parameters_state(self.orientation_params,
+ state.orientation_params)
+ self._reset_parameters_state(self.str_parameters,
+ state.str_parameters)
+ self._reset_parameters_state(self.parameters, state.parameters)
+ # display dispersion info layer
+ self.enable_disp.SetValue(state.enable_disp)
+ self.disable_disp.SetValue(state.disable_disp)
+ # If the polydispersion is ON
+ if state.enable_disp:
+ # reset dispersion according the state
+ self._set_dipers_Param(event=None)
+ self._reset_page_disp_helper(state)
+ # plotting range restore
+ self._reset_plotting_range(state)
+ # smearing info restore
+ if hasattr(self, "enable_smearer"):
+ # set smearing value whether or not the data
+ # contain the smearing info
+ self.enable_smearer.SetValue(state.enable_smearer)
+ self.disable_smearer.SetValue(state.disable_smearer)
+ self.onSmear(event=None)
+ self.pinhole_smearer.SetValue(state.pinhole_smearer)
+ self.slit_smearer.SetValue(state.slit_smearer)
+ try:
+ self.dI_noweight.SetValue(state.dI_noweight)
+ self.dI_didata.SetValue(state.dI_didata)
+ self.dI_sqrdata.SetValue(state.dI_sqrdata)
+ self.dI_idata.SetValue(state.dI_idata)
+ except:
+ # to support older state file formats
+ self.dI_noweight.SetValue(False)
+ self.dI_didata.SetValue(True)
+ self.dI_sqrdata.SetValue(False)
+ self.dI_idata.SetValue(False)
+
+ # we have two more options for smearing
+ if self.pinhole_smearer.GetValue():
+ self.dx_percent = state.dx_percent
+ if self.dx_percent is not None:
+ if state.dx_old:
+ self.dx_percent = 100 * (self.dx_percent / self.data.x[0])
+ self.smear_pinhole_percent.SetValue("%.2f" % self.dx_percent)
+ self.onPinholeSmear(event=None)
+ elif self.slit_smearer.GetValue():
+ self.dxl = state.dxl
+ self.dxw = state.dxw
+ if self.dxl is not None:
+ self.smear_slit_height.SetValue(str(self.dxl))
+ if self.dxw is not None:
+ self.smear_slit_width.SetValue(str(self.dxw))
+ else:
+ self.smear_slit_width.SetValue('')
+ self.onSlitSmear(event=None)
+
+ # reset state of checkbox,textcrtl and dispersity parameters value
+ self._reset_parameters_state(self.fittable_param, state.fittable_param)
+ self._reset_parameters_state(self.fixed_param, state.fixed_param)
+
+ # draw the model with previous parameters value
+ self._onparamEnter_helper()
+ # reset the value of chisqr when not consistent with the value computed
+ self.tcChi.SetValue(str(self.state.tcChi))
+ # reset context menu items
+ self._reset_context_menu()
+
+ # set the value of the current state to the state given as parameter
+ self.state = state.clone()
+ self.state.m_name = self.m_name
+
+ def _reset_page_disp_helper(self, state):
+ """
+ Help to rest page for dispersions
+ """
+ keys = self.model.getParamList()
+ for item in keys:
+ if item in self.disp_list and \
+ item not in self.model.details:
+ self.model.details[item] = ["", None, None]
+ # for k,v in self.state.disp_cb_dict.iteritems():
+ self.disp_cb_dict = copy.deepcopy(state.disp_cb_dict)
+ self.state.disp_cb_dict = copy.deepcopy(state.disp_cb_dict)
+ self.values = copy.deepcopy(state.values)
+ self.weights = copy.deepcopy(state.weights)
+
+ for key, disp_type in state._disp_obj_dict.iteritems():
+ # disp_model = disp
+ disp_model = POLYDISPERSITY_MODELS[disp_type]()
+ self._disp_obj_dict[key] = disp_model
+ param_name = key.split('.')[0]
+ # Try to set dispersion only when available
+ # for eg., pass the orient. angles for 1D Cal
+ try:
+ self.model.set_dispersion(param_name, disp_model)
+ self.model._persistency_dict[key] = \
+ [state.values, state.weights]
+ except Exception:
+ logging.error(traceback.format_exc())
+ selection = self._find_polyfunc_selection(disp_model)
+ for list in self.fittable_param:
+ if list[1] == key and list[7] is not None:
+ list[7].SetSelection(selection)
+ # For the array disp_model, set the values and weights
+ if selection == 1:
+ disp_model.set_weights(self.values[key],
+ self.weights[key])
+ try:
+ # Diables all fittable params for array
+ list[0].SetValue(False)
+ list[0].Disable()
+ list[2].Disable()
+ list[5].Disable()
+ list[6].Disable()
+ except Exception:
+ logging.error(traceback.format_exc())
+ # For array, disable all fixed params
+ if selection == 1:
+ for item in self.fixed_param:
+ if item[1].split(".")[0] == key.split(".")[0]:
+ # try it and pass it for the orientation for 1D
+ try:
+ item[2].Disable()
+ except Exception:
+ logging.error(traceback.format_exc())
+
+ def _selectDlg(self):
+ """
+ open a dialog file to select the customized polydispersity function
+ """
+ if self.parent is not None:
+ self._default_save_location = \
+ self._manager.parent.get_save_location()
+ dlg = wx.FileDialog(self, "Choose a weight file",
+ self._default_save_location, "",
+ "*.*", wx.OPEN)
+ path = None
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ dlg.Destroy()
+ return path
+
+ def _reset_context_menu(self):
+ """
+ reset the context menu
+ """
+ ids = iter(self._id_pool) # Reusing ids for context menu
+ for name, _ in self.state.saved_states.iteritems():
+ self.number_saved_state += 1
+ # Add item in the context menu
+ wx_id = ids.next()
+ msg = 'Save model and state %g' % self.number_saved_state
+ self.popUpMenu.Append(wx_id, name, msg)
+ wx.EVT_MENU(self, wx_id, self.onResetModel)
+
+ def _reset_plotting_range(self, state):
+ """
+ Reset the plotting range to a given state
+ """
+ self.qmin.SetValue(str(state.qmin))
+ self.qmax.SetValue(str(state.qmax))
+
+ def _save_typeOfmodel(self):
+ """
+ save radiobutton containing the type model that can be selected
+ """
+ # self.state.shape_rbutton = self.shape_rbutton.GetValue()
+ # self.state.shape_indep_rbutton = self.shape_indep_rbutton.GetValue()
+ # self.state.struct_rbutton = self.struct_rbutton.GetValue()
+ # self.state.plugin_rbutton = self.plugin_rbutton.GetValue()
+ self.state.structurecombobox = self.structurebox.GetValue()
+ self.state.formfactorcombobox = self.formfactorbox.GetValue()
+ self.state.categorycombobox = self.categorybox.GetValue()
+
+ # post state to fit panel
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+
+ def _save_plotting_range(self):
+ """
+ save the state of plotting range
+ """
+ self.state.qmin = self.qmin_x
+ self.state.qmax = self.qmax_x
+ self.state.npts = self.npts_x
+
+ def _onparamEnter_helper(self, is_modified=False):
+ """
+ check if values entered by the user are changed and valid to replot
+ model
+ """
+ # Flag to register when a parameter has changed.
+ # is_modified = False
+ self.fitrange = True
+ is_2Ddata = False
+ # self._undo.Enable(True)
+ # check if 2d data
+ if self.data.__class__.__name__ == "Data2D":
+ is_2Ddata = True
+ if self.model is not None:
+ # Either we get a is_modified = True passed in because
+ # _update_paramv_on_fit() has been called already or
+ # we need to check here ourselves.
+ if not is_modified:
+ is_modified = (self._check_value_enter(self.fittable_param)
+ or self._check_value_enter(self.fixed_param)
+ or self._check_value_enter(self.parameters))
+
+ # Here we should check whether the boundaries have been modified.
+ # If qmin and qmax have been modified, update qmin and qmax and
+ # set the is_modified flag to True
+ if self._validate_qrange(self.qmin, self.qmax):
+ tempmin = float(self.qmin.GetValue())
+ if tempmin != self.qmin_x:
+ self.qmin_x = tempmin
+ is_modified = True
+ tempmax = float(self.qmax.GetValue())
+ if tempmax != self.qmax_x:
+ self.qmax_x = tempmax
+ is_modified = True
+ if is_2Ddata:
+ is_modified = self._validate_Npts()
+ else:
+ is_modified = self._validate_Npts_1D()
+ else:
+ self.fitrange = False
+
+ # if any value is modify draw model with new value
+ if not self.fitrange:
+ # self.btFit.Disable()
+ if is_2Ddata:
+ self.btEditMask.Disable()
+ else:
+ if is_2Ddata and self.data.is_data and not self.batch_on:
+ self.btEditMask.Enable(True)
+ if is_modified and self.fitrange:
+ # Theory case: need to get npts value to draw
+ self.npts_x = float(self.Npts_total.GetValue())
+ self.Npts_fit.SetValue(str(self.Npts_total.GetValue()))
+ self._save_plotting_range()
+ self.create_default_data()
+ self.state_change = True
+ self._draw_model()
+ # Time delay has been introduced to prevent _handle error
+ # on Windows
+ # This part of code is executed when model is selected and
+ # it's parameters are changed (with respect to previously
+ # selected model). There are two Iq evaluations occuring one
+ # after another and therefore there may be compilation error
+ # if model is calculated for the first time.
+ # This seems to be Windows only issue - haven't tested on Linux
+ # though.The proper solution (other than time delay) requires
+ # more fundemental code refatoring
+ # Wojtek P. Nov 7, 2016
+ if not ON_MAC:
+ time.sleep(0.1)
+ self.Refresh()
+
+ # logging.info("is_modified flag set to %g",is_modified)
+ return is_modified
+
+ def _update_paramv_on_fit(self):
+ """
+ make sure that update param values just before the fitting
+ """
+ # flag for qmin qmax check values
+ flag = True
+ self.fitrange = True
+ is_modified = False
+
+ # wx.PostEvent(self._manager.parent, StatusEvent(status=" \
+ # updating ... ",type="update"))
+
+ # So make sure that update param values on_Fit.
+ # self._undo.Enable(True)
+ if self.model is not None:
+ if self.Npts_total.GetValue() != self.Npts_fit.GetValue():
+ if not self.data.is_data:
+ self._manager.page_finder[self.uid].set_fit_data(
+ data=[self.data])
+ # Check the values
+ is_modified = (self._check_value_enter(self.fittable_param)
+ or self._check_value_enter(self.fixed_param)
+ or self._check_value_enter(self.parameters))
+
+ # If qmin and qmax have been modified, update qmin and qmax and
+ # Here we should check whether the boundaries have been modified.
+ # If qmin and qmax have been modified, update qmin and qmax and
+ # set the is_modified flag to True
+ self.fitrange = self._validate_qrange(self.qmin, self.qmax)
+ if self.fitrange:
+ tempmin = float(self.qmin.GetValue())
+ if tempmin != self.qmin_x:
+ self.qmin_x = tempmin
+ tempmax = float(self.qmax.GetValue())
+ if tempmax != self.qmax_x:
+ self.qmax_x = tempmax
+ if tempmax == tempmin:
+ flag = False
+ temp_smearer = None
+ if not self.disable_smearer.GetValue():
+ temp_smearer = self.current_smearer
+ if self.slit_smearer.GetValue():
+ flag = self.update_slit_smear()
+ elif self.pinhole_smearer.GetValue():
+ flag = self.update_pinhole_smear()
+ else:
+ enable_smearer = not self.disable_smearer.GetValue()
+ self._manager.set_smearer(smearer=temp_smearer,
+ uid=self.uid,
+ fid=self.data.id,
+ qmin=float(self.qmin_x),
+ qmax=float(self.qmax_x),
+ enable_smearer=enable_smearer,
+ draw=False)
+ elif not self._is_2D():
+ enable_smearer = not self.disable_smearer.GetValue()
+ self._manager.set_smearer(smearer=temp_smearer,
+ qmin=float(self.qmin_x),
+ uid=self.uid,
+ fid=self.data.id,
+ qmax=float(self.qmax_x),
+ enable_smearer=enable_smearer,
+ draw=False)
+ if self.data is not None:
+ index_data = ((self.qmin_x <= self.data.x) &
+ (self.data.x <= self.qmax_x))
+ val = str(len(self.data.x[index_data]))
+ self.Npts_fit.SetValue(val)
+ else:
+ # No data in the panel
+ try:
+ self.npts_x = float(self.Npts_total.GetValue())
+ except:
+ flag = False
+ return flag
+ flag = True
+ if self._is_2D():
+ # only 2D case set mask
+ flag = self._validate_Npts()
+ if not flag:
+ return flag
+ else:
+ flag = False
+ else:
+ flag = False
+
+ # For invalid q range, disable the mask editor and fit button, vs.
+ if not self.fitrange:
+ if self._is_2D():
+ self.btEditMask.Disable()
+ else:
+ if self._is_2D() and self.data.is_data and not self.batch_on:
+ self.btEditMask.Enable(True)
+
+ if not flag:
+ msg = "Cannot Plot or Fit :Must select a "
+ msg += " model or Fitting range is not valid!!! "
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+
+ try:
+ self.save_current_state()
+ except Exception:
+ logging.error(traceback.format_exc())
+
+ return flag, is_modified
+
+ def _reset_parameters_state(self, listtorestore, statelist):
+ """
+ Reset the parameters at the given state
+ """
+ if len(statelist) == 0 or len(listtorestore) == 0:
+ return
+
+ for j in range(len(listtorestore)):
+ for param in statelist:
+ if param[1] == listtorestore[j][1]:
+ item_page = listtorestore[j]
+ item_page_info = param
+ if (item_page_info[1] == "theta" or item_page_info[1] ==
+ "phi") and not self._is_2D():
+ break
+ # change the state of the check box for simple parameters
+ if item_page[0] is not None:
+ item_page[0].SetValue(item_page_info[0])
+ if item_page[2] is not None:
+ item_page[2].SetValue(item_page_info[2])
+ if item_page[2].__class__.__name__ == "ComboBox":
+ if item_page_info[2] in self.model.fun_list:
+ fun_val = self.model.fun_list[item_page_info[2]]
+ self.model.setParam(item_page_info[1], fun_val)
+ if item_page[3] is not None:
+ # show or hide text +/-
+ if item_page_info[2]:
+ item_page[3].Show(True)
+ else:
+ item_page[3].Hide()
+ if item_page[4] is not None:
+ # show of hide the text crtl for fitting error
+ if item_page_info[4][0]:
+ item_page[4].Show(True)
+ item_page[4].SetValue(str(item_page_info[4][1]))
+ else:
+ item_page[3].Hide()
+ if item_page[5] is not None:
+ # show of hide the text crtl for fitting error
+ item_page[5].Show(True)
+ item_page[5].SetValue(str(item_page_info[5][1]))
+ if item_page[6] is not None:
+ # show of hide the text crtl for fitting error
+ item_page[6].Show(True)
+ item_page[6].SetValue(str(item_page_info[6][1]))
+ break
+
+ def _reset_strparam_state(self, listtorestore, statelist):
+ """
+ Reset the string parameters at the given state
+ """
+ if len(statelist) == 0:
+ return
+
+ listtorestore = copy.deepcopy(statelist)
+
+ for j in range(len(listtorestore)):
+ item_page = listtorestore[j]
+ item_page_info = statelist[j]
+ # change the state of the check box for simple parameters
+
+ if item_page[0] is not None:
+ item_page[0].SetValue(format_number(item_page_info[0], True))
+
+ if item_page[2] is not None:
+ param_name = item_page_info[1]
+ value = item_page_info[2]
+ selection = value
+ if value in self.model.fun_list:
+ selection = self.model.fun_list[value]
+ item_page[2].SetValue(selection)
+ self.model.setParam(param_name, selection)
+
+ def _copy_parameters_state(self, listtocopy, statelist):
+ """
+ copy the state of button
+
+ :param listtocopy: the list of check button to copy
+ :param statelist: list of state object to store the current state
+
+ """
+ if len(listtocopy) == 0:
+ return
+
+ for item in listtocopy:
+
+ checkbox_state = None
+ if item[0] is not None:
+ checkbox_state = item[0].GetValue()
+ parameter_name = item[1]
+ parameter_value = None
+ if item[2] is not None:
+ parameter_value = item[2].GetValue()
+ static_text = None
+ if item[3] is not None:
+ static_text = item[3].IsShown()
+ error_value = None
+ error_state = None
+ if item[4] is not None:
+ error_value = item[4].GetValue()
+ error_state = item[4].IsShown()
+
+ min_value = None
+ min_state = None
+ if item[5] is not None:
+ min_value = item[5].GetValue()
+ min_state = item[5].IsShown()
+
+ max_value = None
+ max_state = None
+ if item[6] is not None:
+ max_value = item[6].GetValue()
+ max_state = item[6].IsShown()
+ unit = None
+ if item[7] is not None:
+ unit = item[7].GetLabel()
+
+ statelist.append([checkbox_state, parameter_name, parameter_value,
+ static_text, [error_state, error_value],
+ [min_state, min_value],
+ [max_state, max_value], unit])
+
+ def _draw_model(self, update_chisqr=True, source='model'):
+ """
+ Method to draw or refresh a plotted model.
+ The method will use the data member from the model page
+ to build a call to the fitting perspective manager.
+
+ :param chisqr: update chisqr value [bool]
+ """
+ wx.CallAfter(self._draw_model_after, update_chisqr, source)
+
+ def _draw_model_after(self, update_chisqr=True, source='model'):
+ """
+ Method to draw or refresh a plotted model.
+ The method will use the data member from the model page
+ to build a call to the fitting perspective manager.
+
+ :param chisqr: update chisqr value [bool]
+ """
+ # if self.check_invalid_panel():
+ # return
+ if self.model is not None:
+ temp_smear = None
+ if hasattr(self, "enable_smearer"):
+ if not self.disable_smearer.GetValue():
+ temp_smear = self.current_smearer
+ # compute weight for the current data
+ from sas.sasgui.perspectives.fitting.utils import get_weight
+ flag = self.get_weight_flag()
+ weight = get_weight(data=self.data, is2d=self._is_2D(), flag=flag)
+ toggle_mode_on = self.model_view.IsEnabled()
+ is_2d = self._is_2D()
+ self._manager.draw_model(self.model,
+ data=self.data,
+ smearer=temp_smear,
+ qmin=float(self.qmin_x),
+ qmax=float(self.qmax_x),
+ page_id=self.uid,
+ toggle_mode_on=toggle_mode_on,
+ state=self.state,
+ enable2D=is_2d,
+ update_chisqr=update_chisqr,
+ source='model',
+ weight=weight)
+
+ def _on_show_sld(self, event=None):
+ """
+ Plot SLD profile
+ """
+ # get profile data
+ x, y = self.model.getProfile()
+
+ from sas.sasgui.plottools import Data1D as pf_data1d
+ # from sas.sasgui.perspectives.theory.profile_dialog import SLDPanel
+ from sas.sasgui.guiframe.local_perspectives.plotting.profile_dialog \
+ import SLDPanel
+ sld_data = pf_data1d(x, y)
+ sld_data.name = 'SLD'
+ sld_data.axes = self.sld_axes
+ self.panel = SLDPanel(self, data=sld_data, axes=self.sld_axes,
+ id=wx.ID_ANY)
+ self.panel.ShowModal()
+
+ def _set_multfactor_combobox(self, multiplicity=10):
+ """
+ Set comboBox for multitfactor of CoreMultiShellModel
+ :param multiplicit: no. of multi-functionality
+ """
+ # build content of the combobox
+ for idx in range(0, multiplicity):
+ self.multifactorbox.Append(str(idx), int(idx))
+ self._hide_multfactor_combobox()
+
+ def _show_multfactor_combobox(self):
+ """
+ Show the comboBox of muitfactor of CoreMultiShellModel
+ """
+ if not self.mutifactor_text.IsShown():
+ self.mutifactor_text.Show(True)
+ self.mutifactor_text1.Show(True)
+ if not self.multifactorbox.IsShown():
+ self.multifactorbox.Show(True)
+
+ def _hide_multfactor_combobox(self):
+ """
+ Hide the comboBox of muitfactor of CoreMultiShellModel
+ """
+ if self.mutifactor_text.IsShown():
+ self.mutifactor_text.Hide()
+ self.mutifactor_text1.Hide()
+ if self.multifactorbox.IsShown():
+ self.multifactorbox.Hide()
+
+ def formfactor_combo_init(self):
+ """
+ First time calls _show_combox_helper
+ """
+ self._show_combox(None)
+
+ def _show_combox_helper(self):
+ """
+ Fill panel's combo box according to the type of model selected
+ """
+
+ mod_cat = self.categorybox.GetStringSelection()
+ self.structurebox.SetSelection(0)
+ self.structurebox.Disable()
+ self.formfactorbox.Clear()
+ if mod_cat is None:
+ return
+ m_list = []
+ try:
+ if mod_cat == CUSTOM_MODEL:
+ for model in self.model_list_box[mod_cat]:
+ m_list.append(self.model_dict[model.name])
+ else:
+ cat_dic = self.master_category_dict[mod_cat]
+ for (model, enabled) in cat_dic:
+ if enabled:
+ m_list.append(self.model_dict[model])
+ except Exception:
+ msg = traceback.format_exc()
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="error"))
+ self._populate_box(self.formfactorbox, m_list)
+
+ def _on_modify_cat(self, event=None):
+ """
+ Called when category manager is opened
+ """
+ self._manager.parent.on_category_panel(event)
+
+ def _show_combox(self, event=None):
+ """
+ Show combox box associate with type of model selected
+ """
+ self.Show(False)
+ self._show_combox_helper()
+ self._on_select_model(event=None)
+ self.Show(True)
+ self._save_typeOfmodel()
+ self.sizer4_4.Layout()
+ self.sizer4.Layout()
+ self.Layout()
+ self.Refresh()
+
+ def _populate_box(self, combobox, list):
+ """
+ fill combox box with dict item
+
+ :param list: contains item to fill the combox
+ item must model class
+ """
+ mlist = []
+ for models in list:
+ if models.name != "NoStructure":
+ mlist.append((models.name, models))
+
+ # Sort the models
+ mlist_sorted = sorted(mlist)
+ for item in mlist_sorted:
+ combobox.Append(item[0], item[1])
+ return 0
+
+ def _onQrangeEnter(self, event):
+ """
+ Check validity of value enter in the Q range field
+
+ """
+ tcrtl = event.GetEventObject()
+ # Clear msg if previously shown.
+ msg = ""
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ # Flag to register when a parameter has changed.
+ if tcrtl.GetValue().lstrip().rstrip() != "":
+ try:
+ float(tcrtl.GetValue())
+ tcrtl.SetBackgroundColour(wx.WHITE)
+ # If qmin and qmax have been modified, update qmin and qmax
+ if self._validate_qrange(self.qmin, self.qmax):
+ tempmin = float(self.qmin.GetValue())
+ if tempmin != self.qmin_x:
+ self.qmin_x = tempmin
+ tempmax = float(self.qmax.GetValue())
+ if tempmax != self.qmax_x:
+ self.qmax_x = tempmax
+ else:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error: wrong value entered: %s" % \
+ sys.exc_info()[1]
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ return
+ except:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error: wrong value entered: %s" % sys.exc_info()[1]
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ return
+ # Check if # of points for theory model are valid(>0).
+ if self.npts is not None:
+ if check_float(self.npts):
+ temp_npts = float(self.npts.GetValue())
+ if temp_npts != self.num_points:
+ self.num_points = temp_npts
+ else:
+ msg = "Cannot plot: No points in Q range!!! "
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error: wrong value entered!!!"
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ self.save_current_state()
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ self.state_change = False
+ # Draw the model for a different range
+ if not self.data.is_data:
+ self.create_default_data()
+ self._draw_model()
+
+ def _theory_qrange_enter(self, event):
+ """
+ Check validity of value enter in the Q range field
+ """
+
+ tcrtl = event.GetEventObject()
+ # Clear msg if previously shown.
+ msg = ""
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ # Flag to register when a parameter has changed.
+ is_modified = False
+ if tcrtl.GetValue().lstrip().rstrip() != "":
+ try:
+ value = float(tcrtl.GetValue())
+ tcrtl.SetBackgroundColour(wx.WHITE)
+
+ # If qmin and qmax have been modified, update qmin and qmax
+ if self._validate_qrange(self.theory_qmin, self.theory_qmax):
+ tempmin = float(self.theory_qmin.GetValue())
+ if tempmin != self.theory_qmin_x:
+ self.theory_qmin_x = tempmin
+ tempmax = float(self.theory_qmax.GetValue())
+ if tempmax != self.qmax_x:
+ self.theory_qmax_x = tempmax
+ else:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error: wrong value entered: %s" % \
+ sys.exc_info()[1]
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return
+ except:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error: wrong value entered: %s" % sys.exc_info()[1]
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return
+ # Check if # of points for theory model are valid(>0).
+ if self.Npts_total.IsEditable():
+ if check_float(self.Npts_total):
+ temp_npts = float(self.Npts_total.GetValue())
+ if temp_npts != self.num_points:
+ self.num_points = temp_npts
+ is_modified = True
+ else:
+ msg = "Cannot Plot: No points in Q range!!! "
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ else:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error: wrong value entered!!!"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ self.save_current_state()
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ self.state_change = False
+ # Draw the model for a different range
+ self.create_default_data()
+ self._draw_model()
+
+ def _on_select_model_helper(self):
+ """
+ call back for model selection
+ """
+ # reset dictionary containing reference to dispersion
+ self._disp_obj_dict = {}
+ self.disp_cb_dict = {}
+ self.temp_multi_functional = False
+ f_id = self.formfactorbox.GetCurrentSelection()
+ # For MAC
+ form_factor = None
+ if f_id >= 0:
+ form_factor = self.formfactorbox.GetClientData(f_id)
+
+ if form_factor is None or \
+ not hasattr(form_factor, 'is_form_factor') or \
+ not form_factor.is_form_factor:
+ self.structurebox.Hide()
+ self.text2.Hide()
+ self.structurebox.Disable()
+ self.structurebox.SetSelection(0)
+ self.text2.Disable()
+ else:
+ self.structurebox.Show()
+ self.text2.Show()
+ self.structurebox.Enable()
+ self.text2.Enable()
+
+ if form_factor is not None:
+ # set multifactor for Mutifunctional models
+ if form_factor.is_multiplicity_model:
+ m_id = self.multifactorbox.GetCurrentSelection()
+ multiplicity = form_factor.multiplicity_info[0]
+ self.multifactorbox.Clear()
+ self._set_multfactor_combobox(multiplicity)
+ self._show_multfactor_combobox()
+ # ToDo: this info should be called directly from the model
+ text = form_factor.multiplicity_info[1] # 'No. of Shells: '
+
+ self.mutifactor_text.SetLabel(text)
+ if m_id > multiplicity - 1:
+ # default value
+ m_id = 1
+
+ self.multi_factor = self.multifactorbox.GetClientData(m_id)
+ if self.multi_factor is None:
+ self.multi_factor = 0
+ self.multifactorbox.SetSelection(m_id)
+ # Check len of the text1 and max_multiplicity
+ text = ''
+ if form_factor.multiplicity_info[0] == \
+ len(form_factor.multiplicity_info[2]):
+ text = form_factor.multiplicity_info[2][self.multi_factor]
+ self.mutifactor_text1.SetLabel(text)
+ # Check if model has get sld profile.
+ if len(form_factor.multiplicity_info[3]) > 0:
+ self.sld_axes = form_factor.multiplicity_info[3]
+ self.show_sld_button.Show(True)
+ else:
+ self.sld_axes = ""
+ else:
+ self._hide_multfactor_combobox()
+ self.show_sld_button.Hide()
+ self.multi_factor = None
+ else:
+ self._hide_multfactor_combobox()
+ self.show_sld_button.Hide()
+ self.multi_factor = None
+
+ s_id = self.structurebox.GetCurrentSelection()
+ struct_factor = self.structurebox.GetClientData(s_id)
+
+ if struct_factor is not None:
+ from sasmodels.sasview_model import MultiplicationModel
+ self.model = MultiplicationModel(form_factor(self.multi_factor),
+ struct_factor())
+ # multifunctional form factor
+ if len(form_factor.non_fittable) > 0:
+ self.temp_multi_functional = True
+ elif form_factor is not None:
+ if self.multi_factor is not None:
+ self.model = form_factor(self.multi_factor)
+ else:
+ # old style plugin models do not accept a multiplicity argument
+ self.model = form_factor()
+ else:
+ self.model = None
+ return
+
+ # check if model has magnetic parameters
+ if len(self.model.magnetic_params) > 0:
+ self._has_magnetic = True
+ else:
+ self._has_magnetic = False
+ # post state to fit panel
+ self.state.parameters = []
+ self.state.model = self.model
+ self.state.qmin = self.qmin_x
+ self.state.multi_factor = self.multi_factor
+ self.disp_list = self.model.getDispParamList()
+ self.state.disp_list = self.disp_list
+ self.on_set_focus(None)
+ self.Layout()
+
+ def _validate_qrange(self, qmin_ctrl, qmax_ctrl):
+ """
+ Verify that the Q range controls have valid values
+ and that Qmin < Qmax.
+
+ :param qmin_ctrl: text control for Qmin
+ :param qmax_ctrl: text control for Qmax
+
+ :return: True is the Q range is value, False otherwise
+
+ """
+ qmin_validity = check_float(qmin_ctrl)
+ qmax_validity = check_float(qmax_ctrl)
+ if not (qmin_validity and qmax_validity):
+ return False
+ else:
+ qmin = float(qmin_ctrl.GetValue())
+ qmax = float(qmax_ctrl.GetValue())
+ if qmin < qmax:
+ # Make sure to set both colours white.
+ qmin_ctrl.SetBackgroundColour(wx.WHITE)
+ qmin_ctrl.Refresh()
+ qmax_ctrl.SetBackgroundColour(wx.WHITE)
+ qmax_ctrl.Refresh()
+ else:
+ qmin_ctrl.SetBackgroundColour("pink")
+ qmin_ctrl.Refresh()
+ qmax_ctrl.SetBackgroundColour("pink")
+ qmax_ctrl.Refresh()
+ msg = "Invalid Q range: Q min must be smaller than Q max"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return False
+ return True
+
+ def _validate_Npts(self):
+ """
+ Validate the number of points for fitting is more than 10 points.
+ If valid, setvalues Npts_fit otherwise post msg.
+ """
+ # default flag
+ flag = True
+ # Theory
+ if self.data is None and self.enable2D:
+ return flag
+ for data in self.data_list:
+ # q value from qx and qy
+ radius = numpy.sqrt(data.qx_data * data.qx_data +
+ data.qy_data * data.qy_data)
+ # get unmasked index
+ index_data = (float(self.qmin.GetValue()) <= radius) & \
+ (radius <= float(self.qmax.GetValue()))
+ index_data = (index_data) & (data.mask)
+ index_data = (index_data) & (numpy.isfinite(data.data))
+
+ if len(index_data[index_data]) < 10:
+ # change the color pink.
+ self.qmin.SetBackgroundColour("pink")
+ self.qmin.Refresh()
+ self.qmax.SetBackgroundColour("pink")
+ self.qmax.Refresh()
+ msg = "Data Error: "
+ msg += "Too few points in %s." % data.name
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ self.fitrange = False
+ flag = False
+ else:
+ self.Npts_fit.SetValue(str(len(index_data[index_data])))
+ self.fitrange = True
+
+ return flag
+
+ def _validate_Npts_1D(self):
+ """
+ Validate the number of points for fitting is more than 5 points.
+ If valid, setvalues Npts_fit otherwise post msg.
+ """
+ # default flag
+ flag = True
+ # Theory
+ if self.data is None:
+ return flag
+ for data in self.data_list:
+ # q value from qx and qy
+ radius = data.x
+ # get unmasked index
+ index_data = (float(self.qmin.GetValue()) <= radius) & \
+ (radius <= float(self.qmax.GetValue()))
+ index_data = (index_data) & (numpy.isfinite(data.y))
+
+ if len(index_data[index_data]) < 5:
+ # change the color pink.
+ self.qmin.SetBackgroundColour("pink")
+ self.qmin.Refresh()
+ self.qmax.SetBackgroundColour("pink")
+ self.qmax.Refresh()
+ msg = "Data Error: "
+ msg += "Too few points in %s." % data.name
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ self.fitrange = False
+ flag = False
+ else:
+ self.Npts_fit.SetValue(str(len(index_data[index_data])))
+ self.fitrange = True
+
+ return flag
+
+ def _check_value_enter(self, list):
+ """
+ :param list: model parameter and panel info
+ :Note: each item of the list should be as follow:
+ item=[check button state, parameter's name,
+ paramater's value, string="+/-",
+ parameter's error of fit,
+ parameter's minimum value,
+ parameter's maximum value ,
+ parameter's units]
+
+ Returns True if the model parameters have changed.
+ """
+ is_modified = False
+ for item in list:
+ # skip angle parameters for 1D
+ if not self.enable2D and item in self.orientation_params:
+ continue
+
+ value_ctrl = item[2]
+ if not value_ctrl.IsEnabled():
+ # ArrayDispersion disables PD, Min, Max, Npts, Nsigs
+ continue
+
+ name = item[1]
+ value_str = value_ctrl.GetValue().strip()
+ if name.endswith(".npts"):
+ validity = check_int(value_ctrl)
+ if not validity:
+ continue
+ value = int(value_str)
+
+ elif name.endswith(".nsigmas"):
+ validity = check_float(value_ctrl)
+ if not validity:
+ continue
+ value = float(value_str)
+
+ else: # value or polydispersity
+
+ # Check that min, max and value are floats
+ min_ctrl, max_ctrl = item[5], item[6]
+ min_str = min_ctrl.GetValue().strip()
+ max_str = max_ctrl.GetValue().strip()
+ validity = check_float(value_ctrl)
+ if min_str != "":
+ validity = validity and check_float(min_ctrl)
+ if max_str != "":
+ validity = validity and check_float(max_ctrl)
+ if not validity:
+ continue
+
+ # Check that min is less than max
+ low = -numpy.inf if min_str == "" else float(min_str)
+ high = numpy.inf if max_str == "" else float(max_str)
+ if high < low:
+ min_ctrl.SetBackgroundColour("pink")
+ min_ctrl.Refresh()
+ max_ctrl.SetBackgroundColour("pink")
+ max_ctrl.Refresh()
+ # msg = "Invalid fit range for %s: min must be smaller
+ # than max"%name
+ # wx.PostEvent(self._manager.parent,
+ # StatusEvent(status=msg))
+ continue
+
+ # Force value between min and max
+ value = float(value_str)
+ if value < low:
+ value = low
+ value_ctrl.SetValue(format_number(value))
+ elif value > high:
+ value = high
+ value_ctrl.SetValue(format_number(value))
+
+ if name not in self.model.details.keys():
+ self.model.details[name] = ["", None, None]
+ old_low, old_high = self.model.details[name][1:3]
+ if old_low != low or old_high != high:
+ # The configuration has changed but it won't change the
+ # computed curve so no need to set is_modified to True
+ # is_modified = True
+ self.model.details[name][1:3] = low, high
+
+ # Update value in model if it has changed
+ if value != self.model.getParam(name):
+ self.model.setParam(name, value)
+ is_modified = True
+
+ return is_modified
+
+ def _set_dipers_Param(self, event):
+ """
+ respond to self.enable_disp and self.disable_disp radio box.
+ The dispersity object is reset inside the model into Gaussian.
+ When the user select yes , this method display a combo box for
+ more selection when the user selects No,the combo box disappears.
+ Redraw the model with the default dispersity (Gaussian)
+ """
+ # On selction if no model exists.
+ if self.model is None:
+ self.disable_disp.SetValue(True)
+ msg = "Please select a Model first..."
+ wx.MessageBox(msg, 'Info')
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status="Polydispersion: %s" % msg))
+ return
+
+ self._reset_dispersity()
+
+ if self.model is None:
+ self.model_disp.Hide()
+ self.sizer4_4.Clear(True)
+ return
+
+ if self.enable_disp.GetValue():
+ # layout for model containing no dispersity parameters
+
+ self.disp_list = self.model.getDispParamList()
+
+ if len(self.disp_list) == 0 and len(self.disp_cb_dict) == 0:
+ self._layout_sizer_noDipers()
+ else:
+ # set gaussian sizer
+ self._on_select_Disp(event=None)
+ else:
+ self.sizer4_4.Clear(True)
+
+ # post state to fit panel
+ self.save_current_state()
+ if event is not None:
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ # draw the model with the current dispersity
+
+ # Wojtek P, Oct 8, 2016: Calling draw_model seems to be unessecary.
+ # By comenting it we save an extra Iq calculation
+ # self._draw_model()
+
+ # Need to use FitInside again here to replace the next four lines.
+ # Otherwised polydispersity off does not resize the scrollwindow.
+ # PDB Nov 28, 2015
+ self.FitInside()
+# self.sizer4_4.Layout()
+# self.sizer5.Layout()
+# self.Layout()
+# self.Refresh()
+
+ def _layout_sizer_noDipers(self):
+ """
+ Draw a sizer with no dispersity info
+ """
+ ix = 0
+ iy = 1
+ self.fittable_param = []
+ self.fixed_param = []
+ self.orientation_params_disp = []
+
+ self.sizer4_4.Clear(True)
+ text = "No polydispersity available for this model"
+ model_disp = wx.StaticText(self, wx.ID_ANY, text)
+ self.sizer4_4.Add(model_disp, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ self.sizer4_4.Layout()
+ self.sizer4.Layout()
+
+ def _reset_dispersity(self):
+ """
+ put gaussian dispersity into current model
+ """
+ if len(self.param_toFit) > 0:
+ for item in self.fittable_param:
+ if item in self.param_toFit:
+ self.param_toFit.remove(item)
+
+ for item in self.orientation_params_disp:
+ if item in self.param_toFit:
+ self.param_toFit.remove(item)
+
+ self.fittable_param = []
+ self.fixed_param = []
+ self.orientation_params_disp = []
+ self.values = {}
+ self.weights = {}
+
+ # from sas.models.dispersion_models import GaussianDispersion
+ from sasmodels.weights import GaussianDispersion
+ if len(self.disp_cb_dict) == 0:
+ self.save_current_state()
+ self.sizer4_4.Clear(True)
+ self.Layout()
+ return
+ if (len(self.disp_cb_dict) > 0):
+ for p in self.disp_cb_dict:
+ # The parameter was un-selected.
+ # Go back to Gaussian model (with 0 pts)
+ disp_model = GaussianDispersion()
+
+ self._disp_obj_dict[p] = disp_model
+ # Set the new model as the dispersion object
+ # for the selected parameter
+ try:
+ self.model.set_dispersion(p, disp_model)
+ except Exception:
+ logging.error(traceback.format_exc())
+
+ # save state into
+ self.save_current_state()
+ self.Layout()
+ self.Refresh()
+
+ def _on_select_Disp(self, event):
+ """
+ allow selecting different dispersion
+ self.disp_list should change type later .now only gaussian
+ """
+ self._set_sizer_dispersion()
+
+ # Redraw the model
+ # Wojtek P. Nov 7, 2016: Redrawing seems to be unnecessary here
+ # self._draw_model()
+ # self._undo.Enable(True)
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+
+ self.sizer4_4.Layout()
+ self.sizer4.Layout()
+ self.SetupScrolling()
+
+ def _on_disp_func(self, event=None):
+ """
+ Select a distribution function for the polydispersion
+
+ :Param event: ComboBox event
+ """
+ # get ready for new event
+ if event is not None:
+ event.Skip()
+ # Get event object
+ disp_box = event.GetEventObject()
+
+ # Try to select a Distr. function
+ try:
+ disp_box.SetBackgroundColour("white")
+ selection = disp_box.GetCurrentSelection()
+ param_name = disp_box.Name.split('.')[0]
+ disp_name = disp_box.GetValue()
+ dispersity = disp_box.GetClientData(selection)
+
+ # disp_model = GaussianDispersion()
+ disp_model = dispersity()
+ # Get param names to reset the values of the param
+ name1 = param_name + ".width"
+ name2 = param_name + ".npts"
+ name3 = param_name + ".nsigmas"
+ # Check Disp. function whether or not it is 'array'
+ if disp_name.lower() == "array":
+ value2 = ""
+ value3 = ""
+ value1 = self._set_array_disp(name=name1, disp=disp_model)
+ else:
+ self._del_array_values(name1)
+ # self._reset_array_disp(param_name)
+ self._disp_obj_dict[name1] = disp_model
+ self.model.set_dispersion(param_name, disp_model)
+ self.state._disp_obj_dict[name1] = disp_model.type
+
+ value1 = str(format_number(self.model.getParam(name1), True))
+ value2 = str(format_number(self.model.getParam(name2)))
+ value3 = str(format_number(self.model.getParam(name3)))
+ # Reset fittable polydispersin parameter value
+ for item in self.fittable_param:
+ if item[1] == name1:
+ item[2].SetValue(value1)
+ item[5].SetValue("")
+ item[6].SetValue("")
+ # Disable for array
+ if disp_name.lower() == "array":
+ item[0].SetValue(False)
+ item[0].Disable()
+ item[2].Disable()
+ item[3].Show(False)
+ item[4].Show(False)
+ item[5].Disable()
+ item[6].Disable()
+ else:
+ item[0].Enable()
+ item[2].Enable()
+ item[3].Show(True)
+ item[4].Show(True)
+ item[5].Enable()
+ item[6].Enable()
+ break
+ # Reset fixed polydispersion params
+ for item in self.fixed_param:
+ if item[1] == name2:
+ item[2].SetValue(value2)
+ # Disable Npts for array
+ if disp_name.lower() == "array":
+ item[2].Disable()
+ else:
+ item[2].Enable()
+ if item[1] == name3:
+ item[2].SetValue(value3)
+ # Disable Nsigs for array
+ if disp_name.lower() == "array":
+ item[2].Disable()
+ else:
+ item[2].Enable()
+
+ # Make sure the check box updated
+ self.get_all_checked_params()
+
+ # update params
+ self._update_paramv_on_fit()
+ # draw
+ self._draw_model()
+ self.Refresh()
+ except Exception:
+ logging.error(traceback.format_exc())
+ # Error msg
+ msg = "Error occurred:"
+ msg += " Could not select the distribution function..."
+ msg += " Please select another distribution function."
+ disp_box.SetBackgroundColour("pink")
+ # Focus on Fit button so that users can see the pinky box
+ self.btFit.SetFocus()
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="error"))
+
+ def _set_array_disp(self, name=None, disp=None):
+ """
+ Set array dispersion
+
+ :param name: name of the parameter for the dispersion to be set
+ :param disp: the polydisperion object
+ """
+ # The user wants this parameter to be averaged.
+ # Pop up the file selection dialog.
+ path = self._selectDlg()
+ # Array data
+ values = []
+ weights = []
+ # If nothing was selected, just return
+ if path is None:
+ self.disp_cb_dict[name].SetValue(False)
+ # self.noDisper_rbox.SetValue(True)
+ return
+ self._default_save_location = os.path.dirname(path)
+ if self._manager is not None:
+ self._manager.parent._default_save_location = \
+ self._default_save_location
+
+ basename = os.path.basename(path)
+ values, weights = self.read_file(path)
+
+ # If any of the two arrays is empty, notify the user that we won't
+ # proceed
+ if len(self.param_toFit) > 0:
+ if name in self.param_toFit:
+ self.param_toFit.remove(name)
+
+ # Tell the user that we are about to apply the distribution
+ msg = "Applying loaded %s distribution: %s" % (name, path)
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ self._set_array_disp_model(name=name, disp=disp,
+ values=values, weights=weights)
+ return basename
+
+ def _set_array_disp_model(self, name=None, disp=None,
+ values=[], weights=[]):
+ """
+ Set array dispersion model
+
+ :param name: name of the parameter for the dispersion to be set
+ :param disp: the polydisperion object
+ """
+ disp.set_weights(values, weights)
+ self._disp_obj_dict[name] = disp
+ self.model.set_dispersion(name.split('.')[0], disp)
+ self.state._disp_obj_dict[name] = disp.type
+ self.values[name] = values
+ self.weights[name] = weights
+ # Store the object to make it persist outside the
+ # scope of this method
+ # TODO: refactor model to clean this up?
+ self.state.values = {}
+ self.state.weights = {}
+ self.state.values = copy.deepcopy(self.values)
+ self.state.weights = copy.deepcopy(self.weights)
+
+ # Set the new model as the dispersion object for the
+ # selected parameter
+ # self.model.set_dispersion(p, disp_model)
+ # Store a reference to the weights in the model object
+ # so that
+ # it's not lost when we use the model within another thread.
+ self.state.model = self.model.clone()
+ self.model._persistency_dict[name.split('.')[0]] = \
+ [values, weights]
+ self.state.model._persistency_dict[name.split('.')[0]] = \
+ [values, weights]
+
+ def _del_array_values(self, name=None):
+ """
+ Reset array dispersion
+
+ :param name: name of the parameter for the dispersion to be set
+ """
+ # Try to delete values and weight of the names array dic if exists
+ try:
+ if name in self.values:
+ del self.values[name]
+ del self.weights[name]
+ # delete all other dic
+ del self.state.values[name]
+ del self.state.weights[name]
+ del self.model._persistency_dict[name.split('.')[0]]
+ del self.state.model._persistency_dict[name.split('.')[0]]
+ except Exception:
+ logging.error(traceback.format_exc())
+
+ def _lay_out(self):
+ """
+ returns self.Layout
+
+ :Note: Mac seems to like this better when self.
+ Layout is called after fitting.
+ """
+ self._sleep4sec()
+ self.Layout()
+ return
+
+ def _sleep4sec(self):
+ """
+ sleep for 1 sec only applied on Mac
+ Note: This 1sec helps for Mac not to crash on self.
+ Layout after self._draw_model
+ """
+ if ON_MAC:
+ time.sleep(1)
+
+ def _find_polyfunc_selection(self, disp_func=None):
+ """
+ FInd Comboox selection from disp_func
+
+ :param disp_function: dispersion distr. function
+ """
+ # Find the selection
+ if disp_func is not None:
+ try:
+ return POLYDISPERSITY_MODELS.values().index(disp_func.__class__)
+ except ValueError:
+ pass # Fall through to default class
+ return POLYDISPERSITY_MODELS.keys().index('gaussian')
+
+ def on_reset_clicked(self, event):
+ """
+ On 'Reset' button for Q range clicked
+ """
+ flag = True
+ # For 3 different cases: Data2D, Data1D, and theory
+ if self.model is None:
+ msg = "Please select a model first..."
+ wx.MessageBox(msg, 'Info')
+ flag = False
+ return
+
+ elif self.data.__class__.__name__ == "Data2D":
+ data_min = 0
+ x = max(math.fabs(self.data.xmin), math.fabs(self.data.xmax))
+ y = max(math.fabs(self.data.ymin), math.fabs(self.data.ymax))
+ self.qmin_x = data_min
+ self.qmax_x = math.sqrt(x * x + y * y)
+ # self.data.mask = numpy.ones(len(self.data.data),dtype=bool)
+ # check smearing
+ if not self.disable_smearer.GetValue():
+ # set smearing value whether or
+ # not the data contain the smearing info
+ if self.pinhole_smearer.GetValue():
+ flag = self.update_pinhole_smear()
+ else:
+ flag = True
+
+ elif self.data is None:
+ self.qmin_x = _QMIN_DEFAULT
+ self.qmax_x = _QMAX_DEFAULT
+ self.num_points = _NPTS_DEFAULT
+ self.state.npts = self.num_points
+
+ elif self.data.__class__.__name__ != "Data2D":
+ self.qmin_x = min(self.data.x)
+ self.qmax_x = max(self.data.x)
+ # check smearing
+ if not self.disable_smearer.GetValue():
+ # set smearing value whether or
+ # not the data contain the smearing info
+ if self.slit_smearer.GetValue():
+ flag = self.update_slit_smear()
+ elif self.pinhole_smearer.GetValue():
+ flag = self.update_pinhole_smear()
+ else:
+ flag = True
+ else:
+ flag = False
+
+ if flag is False:
+ msg = "Cannot Plot :Must enter a number!!! "
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ else:
+ # set relative text ctrs.
+ self.qmin.SetValue(str(self.qmin_x))
+ self.qmax.SetValue(str(self.qmax_x))
+ self.show_npts2fit()
+ # At this point, some button and variables satatus (disabled?)
+ # should be checked such as color that should be reset to
+ # white in case that it was pink.
+ self._onparamEnter_helper()
+
+ self.save_current_state()
+ self.state.qmin = self.qmin_x
+ self.state.qmax = self.qmax_x
+
+ # reset the q range values
+ self._reset_plotting_range(self.state)
+ self._draw_model()
+
+ def select_log(self, event):
+ """
+ Log checked to generate log spaced points for theory model
+ """
+
+ def get_images(self):
+ """
+ Get the images of the plots corresponding this panel for report
+
+ : return graphs: list of figures
+ : Need Move to guiframe
+ """
+ # set list of graphs
+ graphs = []
+ canvases = []
+ res_item = None
+ # call gui_manager
+ gui_manager = self._manager.parent
+ # loops through the panels [dic]
+ for _, item2 in gui_manager.plot_panels.iteritems():
+ data_title = self.data.group_id
+ # try to get all plots belonging to this control panel
+ try:
+ g_id = item2.group_id
+ if g_id == data_title or \
+ str(g_id).count("res" + str(self.graph_id)) or \
+ str(g_id).count(str(self.uid)) > 0:
+ if str(g_id).count("res" + str(self.graph_id)) > 0:
+ res_item = [item2.figure, item2.canvas]
+ else:
+ # append to the list
+ graphs.append(item2.figure)
+ canvases.append(item2.canvas)
+ except Exception:
+ # Not for control panels
+ logging.error(traceback.format_exc())
+ # Make sure the resduals plot goes to the last
+ if res_item is not None:
+ graphs.append(res_item[0])
+ canvases.append(res_item[1])
+ # return the list of graphs
+ return graphs, canvases
+
+ def on_function_help_clicked(self, event):
+ """
+ Function called when 'Help' button is pressed next to model
+ of interest. This calls DocumentationWindow from
+ documentation_window.py. It will load the top level of the model
+ help documenation sphinx generated html if no model is presented.
+ If a model IS present then if documention for that model exists
+ it will load to that point otherwise again it will go to the top.
+ For Wx2.8 and below is used (i.e. non-released through installer)
+ a browser is loaded and the top of the model documentation only is
+ accessible because webbrowser module does not pass anything after
+ the # to the browser.
+
+ :param event: on Help Button pressed event
+ """
+
+ if self.model is not None:
+ name = self.formfactorbox.GetValue()
+ _TreeLocation = 'user/models/' + name.lower()+'.html'
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation,
+ "", name + " Help")
+ else:
+ _TreeLocation = 'user/index.html'
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation,
+ "", "General Model Help")
+
+ def on_model_help_clicked(self, event):
+ """
+ Function called when 'Description' button is pressed next to model
+ of interest. This calls the Description embedded in the model. This
+ should work with either Wx2.8 and lower or higher. If no model is
+ selected it will give the message that a model must be chosen first
+ in the box that would normally contain the description. If a badly
+ behaved model is encountered which has no description then it will
+ give the message that none is available.
+
+ :param event: on Description Button pressed event
+ """
+
+ if self.model is None:
+ name = 'index.html'
+ else:
+ name = self.formfactorbox.GetValue()
+
+ msg = 'Model description:\n'
+ info = "Info"
+ if self.model is not None:
+ # frame.Destroy()
+ if str(self.model.description).rstrip().lstrip() == '':
+ msg += "Sorry, no information is available for this model."
+ else:
+ msg += self.model.description + '\n'
+ wx.MessageBox(msg, info)
+ else:
+ msg += "You must select a model to get information on this"
+ wx.MessageBox(msg, info)
+
+ def _on_mag_angle_help(self, event):
+ """
+ Bring up Magnetic Angle definition bmp image whenever the ? button
+ is clicked. Calls DocumentationWindow with the path of the location
+ within the documentation tree (after /doc/ ....". When using old
+ versions of Wx (i.e. before 2.9 and therefore not part of release
+ versions distributed via installer) it brings up an image viewer
+ box which allows the user to click through the rest of the images in
+ the directory. Not ideal but probably better than alternative which
+ would bring up the entire discussion of how magnetic models work?
+ Specially since it is not likely to be accessed. The normal release
+ versions bring up the normal image box.
+
+ :param evt: Triggers on clicking ? in Magnetic Angles? box
+ """
+
+ _TreeLocation = "_images/M_angles_pic.bmp"
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation, "",
+ "Magnetic Angle Defintions")
+
+ def _on_mag_help(self, event):
+ """
+ Bring up Magnetic Angle definition bmp image whenever the ? button
+ is clicked. Calls DocumentationWindow with the path of the location
+ within the documentation tree (after /doc/ ....". When using old
+ versions of Wx (i.e. before 2.9 and therefore not part of release
+ versions distributed via installer) it brings up an image viewer
+ box which allows the user to click through the rest of the images in
+ the directory. Not ideal but probably better than alternative which
+ would bring up the entire discussion of how magnetic models work?
+ Specially since it is not likely to be accessed. The normal release
+ versions bring up the normal image box.
+
+ :param evt: Triggers on clicking ? in Magnetic Angles? box
+ """
+
+ _TreeLocation = "user/magnetism.html"
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation, "",
+ "Polarized Beam/Magnetc Help")
+
+ def _on_mag_on(self, event):
+ """
+ Magnetic Parameters ON/OFF
+ """
+ button = event.GetEventObject()
+
+ if button.GetLabel().count('ON') > 0:
+ self.magnetic_on = True
+ button.SetLabel("Magnetic OFF")
+ m_value = 1.0e-06
+ for key in self.model.magnetic_params:
+ if key.count('M0') > 0:
+ self.model.setParam(key, m_value)
+ m_value += 0.5e-06
+ else:
+ self.magnetic_on = False
+ button.SetLabel("Magnetic ON")
+ for key in self.model.magnetic_params:
+ if key.count('M0') > 0:
+ # reset mag value to zero fo safety
+ self.model.setParam(key, 0.0)
+
+ self.Show(False)
+ self.set_model_param_sizer(self.model)
+ # self._set_sizer_dispersion()
+ self.state.magnetic_on = self.magnetic_on
+ self.SetupScrolling()
+ self.Show(True)
+
+ def on_pd_help_clicked(self, event):
+ """
+ Bring up Polydispersity Documentation whenever the ? button is clicked.
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ istallers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param event: Triggers on clicking ? in polydispersity box
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/pd_help.html"
+ _PageAnchor = ""
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation,
+ _PageAnchor, "Polydispersity Help")
+
+ def on_left_down(self, event):
+ """
+ Get key stroke event
+ """
+ # Figuring out key combo: Cmd for copy, Alt for paste
+ if event.CmdDown() and event.ShiftDown():
+ self.get_paste()
+ elif event.CmdDown():
+ self.get_copy()
+ else:
+ event.Skip()
+ return
+ # make event free
+ event.Skip()
+
+ def get_copy(self):
+ """
+ Get copy params to clipboard
+ """
+ content = self.get_copy_params()
+ flag = self.set_clipboard(content)
+ self._copy_info(flag)
+ return flag
+
+ def get_copy_params(self):
+ """
+ Get the string copies of the param names and values in the tap
+ """
+ content = 'sasview_parameter_values:'
+ # Do it if params exist
+ if self.parameters:
+
+ # go through the parameters
+ strings = self._get_copy_helper(self.parameters,
+ self.orientation_params)
+ content += strings
+
+ # go through the fittables
+ strings = self._get_copy_helper(self.fittable_param,
+ self.orientation_params_disp)
+ content += strings
+
+ # go through the fixed params
+ strings = self._get_copy_helper(self.fixed_param,
+ self.orientation_params_disp)
+ content += strings
+
+ # go through the str params
+ strings = self._get_copy_helper(self.str_parameters,
+ self.orientation_params)
+ content += strings
+ return content
+ else:
+ return False
+
+ def get_copy_excel(self):
+ """
+ Get copy params to clipboard
+ """
+ content = self.get_copy_params_excel()
+ flag = self.set_clipboard(content)
+ self._copy_info(flag)
+ return flag
+
+ def get_copy_params_excel(self):
+ """
+ Get the string copies of the param names and values in the tap
+ """
+ content = ''
+
+ crlf = chr(13) + chr(10)
+ tab = chr(9)
+
+ # Do it if params exist
+ if self.parameters:
+
+ for param in self.parameters:
+ content += param[1] # parameter name
+ content += tab
+ content += param[1] + "_err"
+ content += tab
+
+ content += crlf
+
+ # row of values and errors...
+ for param in self.parameters:
+ content += param[2].GetValue() # value
+ content += tab
+ content += param[4].GetValue() # error
+ content += tab
+
+ return content
+ else:
+ return False
+
+ def get_copy_latex(self):
+ """
+ Get copy params to clipboard
+ """
+ content = self.get_copy_params_latex()
+ flag = self.set_clipboard(content)
+ self._copy_info(flag)
+ return flag
+
+ def get_copy_params_latex(self):
+ """
+ Get the string copies of the param names and values in the tap
+ """
+ content = '\\begin{table}'
+ content += '\\begin{tabular}[h]'
+
+ crlf = chr(13) + chr(10)
+ tab = chr(9)
+
+ # Do it if params exist
+ if self.parameters:
+
+ content += '{|'
+ for param in self.parameters:
+ content += 'l|l|'
+ content += '}\hline'
+ content += crlf
+
+ for index, param in enumerate(self.parameters):
+ content += param[1].replace('_', '\_') # parameter name
+ content += ' & '
+ content += param[1].replace('_', '\_') + "\_err"
+ if index < len(self.parameters) - 1:
+ content += ' & '
+ content += '\\\\ \\hline'
+ content += crlf
+
+ # row of values and errors...
+ for index, param in enumerate(self.parameters):
+ content += param[2].GetValue() # parameter value
+ content += ' & '
+ content += param[4].GetValue() # parameter error
+ if index < len(self.parameters) - 1:
+ content += ' & '
+ content += '\\\\ \\hline'
+ content += crlf
+
+ content += '\\end{tabular}'
+ content += '\\end{table}'
+ return content
+ else:
+ return False
+
+ def set_clipboard(self, content=None):
+ """
+ Put the string to the clipboard
+ """
+ if not content:
+ return False
+ if wx.TheClipboard.Open():
+ wx.TheClipboard.SetData(wx.TextDataObject(str(content)))
+ wx.TheClipboard.Close()
+ return True
+ return None
+
+ def _get_copy_helper(self, param, orient_param):
+ """
+ Helping get value and name of the params
+
+ : param param: parameters
+ : param orient_param = oritational params
+ : return content: strings [list] [name,value:....]
+ """
+ content = ''
+ bound_hi = ''
+ bound_lo = ''
+ # go through the str params
+ for item in param:
+ # copy only the params shown
+ if not item[2].IsShown():
+ continue
+ disfunc = ''
+ try:
+ if item[7].__class__.__name__ == 'ComboBox':
+ disfunc = str(item[7].GetValue())
+ except Exception:
+ logging.error(traceback.format_exc())
+
+ # 2D
+ if self.data.__class__.__name__ == "Data2D":
+ try:
+ check = item[0].GetValue()
+ except Exception:
+ check = None
+ name = item[1]
+ value = item[2].GetValue()
+ # 1D
+ else:
+ # for 1D all parameters except orientation
+ if not item[1] in orient_param:
+ try:
+ check = item[0].GetValue()
+ except:
+ check = None
+ name = item[1]
+ value = item[2].GetValue()
+
+ # Bounds
+ try:
+ bound_lo = item[5].GetValue()
+ bound_hi = item[6].GetValue()
+ except Exception:
+ # harmless - need to just pass
+ pass
+
+ # add to the content
+ if disfunc != '':
+
+ disfunc = ',' + disfunc
+ # Need to support array func for copy/paste
+ try:
+ if disfunc.count('array') > 0:
+ disfunc += ','
+ for val in self.values[name]:
+ disfunc += ' ' + str(val)
+ disfunc += ','
+ for weight in self.weights[name]:
+ disfunc += ' ' + str(weight)
+ except Exception:
+ logging.error(traceback.format_exc())
+ content += name + ',' + str(check) + ',' + value + disfunc + ',' + \
+ bound_lo + ',' + bound_hi + ':'
+
+ return content
+
+ def get_clipboard(self):
+ """
+ Get strings in the clipboard
+ """
+ text = ""
+ # Get text from the clip board
+ if wx.TheClipboard.Open():
+ if wx.TheClipboard.IsSupported(wx.DataFormat(wx.DF_TEXT)):
+ data = wx.TextDataObject()
+ # get wx dataobject
+ success = wx.TheClipboard.GetData(data)
+ # get text
+ if success:
+ text = data.GetText()
+ else:
+ text = ''
+ # close clipboard
+ wx.TheClipboard.Close()
+ return text
+
+ def get_paste(self):
+ """
+ Paste params from the clipboard
+ """
+ text = self.get_clipboard()
+ flag = self.get_paste_params(text)
+ self._copy_info(flag)
+ return flag
+
+ def get_paste_params(self, text=''):
+ """
+ Get the string copies of the param names and values in the tap
+ """
+ context = {}
+ # put the text into dictionary
+ lines = text.split(':')
+ if lines[0] != 'sasview_parameter_values':
+ self._copy_info(False)
+ return False
+ for line in lines[1:-1]:
+ if len(line) != 0:
+ item = line.split(',')
+ check = item[1]
+ name = item[0]
+ value = item[2]
+ # Transfer the text to content[dictionary]
+ context[name] = [check, value]
+
+ # limits
+ limit_lo = item[3]
+ context[name].append(limit_lo)
+ limit_hi = item[4]
+ context[name].append(limit_hi)
+
+ # ToDo: PlugIn this poly disp function for pasting
+ try:
+ poly_func = item[5]
+ context[name].append(poly_func)
+ try:
+ # take the vals and weights for array
+ array_values = item[6].split(' ')
+ array_weights = item[7].split(' ')
+ val = [float(a_val) for a_val in array_values[1:]]
+ weit = [float(a_weit) for a_weit in array_weights[1:]]
+
+ context[name].append(val)
+ context[name].append(weit)
+ except:
+ raise
+ except:
+ poly_func = ''
+ context[name].append(poly_func)
+
+ # Do it if params exist
+ if self.parameters:
+ # go through the parameters
+ self._get_paste_helper(self.parameters,
+ self.orientation_params, context)
+
+ # go through the fittables
+ self._get_paste_helper(self.fittable_param,
+ self.orientation_params_disp,
+ context)
+
+ # go through the fixed params
+ self._get_paste_helper(self.fixed_param,
+ self.orientation_params_disp, context)
+
+ # go through the str params
+ self._get_paste_helper(self.str_parameters,
+ self.orientation_params, context)
+
+ return True
+ return None
+
+ def _get_paste_helper(self, param, orient_param, content):
+ """
+ Helping set values of the params
+
+ : param param: parameters
+ : param orient_param: oritational params
+ : param content: dictionary [ name, value: name1.value1,...]
+ """
+ # go through the str params
+ for item in param:
+ # 2D
+ if self.data.__class__.__name__ == "Data2D":
+ name = item[1]
+ if name in content.keys():
+ values = content[name]
+ check = values[0]
+ pd = values[1]
+
+ if name.count('.') > 0:
+ # If this is parameter.width, then pd may be a floating
+ # point value or it may be an array distribution.
+ # Nothing to do for parameter.npts or parameter.nsigmas.
+ try:
+ float(pd)
+ if name.endswith('.npts'):
+ pd = int(pd)
+ except Exception:
+ # continue
+ if not pd and pd != '':
+ continue
+ item[2].SetValue(str(pd))
+ if item in self.fixed_param and pd == '':
+ # Only array func has pd == '' case.
+ item[2].Enable(False)
+ else:
+ item[2].Enable(True)
+ if item[2].__class__.__name__ == "ComboBox":
+ if content[name][1] in self.model.fun_list:
+ fun_val = self.model.fun_list[content[name][1]]
+ self.model.setParam(name, fun_val)
+ try:
+ item[5].SetValue(str(values[-3]))
+ item[6].SetValue(str(values[-2]))
+ except Exception:
+ # passing as harmless non-update
+ pass
+
+ value = content[name][1:]
+ self._paste_poly_help(item, value)
+ if check == 'True':
+ is_true = True
+ elif check == 'False':
+ is_true = False
+ else:
+ is_true = None
+ if is_true is not None:
+ item[0].SetValue(is_true)
+ # 1D
+ else:
+ # for 1D all parameters except orientation
+ if not item[1] in orient_param:
+ name = item[1]
+ if name in content.keys():
+ check = content[name][0]
+ # Avoid changing combox content
+ value = content[name][1:]
+ pd = value[0]
+ if name.count('.') > 0:
+ # If this is parameter.width, then pd may be a
+ # floating point value or it may be an array
+ # distribution. Nothing to do for parameter.npts or
+ # parameter.nsigmas.
+ try:
+ pd = float(pd)
+ if name.endswith('.npts'):
+ pd = int(pd)
+ except:
+ # continue
+ if not pd and pd != '':
+ continue
+ item[2].SetValue(str(pd))
+ if item in self.fixed_param and pd == '':
+ # Only array func has pd == '' case.
+ item[2].Enable(False)
+ else:
+ item[2].Enable(True)
+ if item[2].__class__.__name__ == "ComboBox":
+ if value[0] in self.model.fun_list:
+ fun_val = self.model.fun_list[value[0]]
+ self.model.setParam(name, fun_val)
+ # save state
+ try:
+ item[5].SetValue(str(value[-3]))
+ item[6].SetValue(str(value[-2]))
+ except Exception:
+ # passing as harmless non-update
+ pass
+
+ self._paste_poly_help(item, value)
+ if check == 'True':
+ is_true = True
+ elif check == 'False':
+ is_true = False
+ else:
+ is_true = None
+ if is_true is not None:
+ item[0].SetValue(is_true)
+
+ self.select_param(event=None)
+ self.Refresh()
+
+ def _paste_poly_help(self, item, value):
+ """
+ Helps get paste for poly function
+
+ *item* is the parameter name
+
+ *value* depends on which parameter is being processed, and whether it
+ has array polydispersity.
+
+ For parameters without array polydispersity:
+
+ parameter => ['FLOAT', '']
+ parameter.width => ['FLOAT', 'DISTRIBUTION', '']
+ parameter.npts => ['FLOAT', '']
+ parameter.nsigmas => ['FLOAT', '']
+
+ For parameters with array polydispersity:
+
+ parameter => ['FLOAT', '']
+ parameter.width => ['FILENAME', 'array', [x1, ...], [w1, ...]]
+ parameter.npts => ['FLOAT', '']
+ parameter.nsigmas => ['FLOAT', '']
+ """
+ # Do nothing if not setting polydispersity
+ if len(value[3]) == 0:
+ return
+
+ try:
+ name = item[7].Name
+ param_name = name.split('.')[0]
+ item[7].SetValue(value[1])
+ selection = item[7].GetCurrentSelection()
+ dispersity = item[7].GetClientData(selection)
+ disp_model = dispersity()
+
+ if value[1] == 'array':
+ pd_vals = numpy.array(value[2])
+ pd_weights = numpy.array(value[3])
+ if len(pd_vals) == 0 or len(pd_vals) != len(pd_weights):
+ msg = ("bad array distribution parameters for %s"
+ % param_name)
+ raise ValueError(msg)
+ self._set_disp_cb(True, item=item)
+ self._set_array_disp_model(name=name,
+ disp=disp_model,
+ values=pd_vals,
+ weights=pd_weights)
+ else:
+ self._set_disp_cb(False, item=item)
+ self._disp_obj_dict[name] = disp_model
+ self.model.set_dispersion(param_name, disp_model)
+ self.state._disp_obj_dict[name] = disp_model.type
+ # TODO: It's not an array, why update values and weights?
+ self.model._persistency_dict[param_name] = \
+ [self.values, self.weights]
+ self.state.values = self.values
+ self.state.weights = self.weights
+
+ except Exception:
+ logging.error(traceback.format_exc())
+ print "Error in BasePage._paste_poly_help: %s" % \
+ sys.exc_info()[1]
+
+ def _set_disp_cb(self, isarray, item):
+ """
+ Set cb for array disp
+ """
+ if isarray:
+ item[0].SetValue(False)
+ item[0].Enable(False)
+ item[2].Enable(False)
+ item[3].Show(False)
+ item[4].Show(False)
+ item[5].SetValue('')
+ item[5].Enable(False)
+ item[6].SetValue('')
+ item[6].Enable(False)
+ else:
+ item[0].Enable()
+ item[2].Enable()
+ item[3].Show(True)
+ item[4].Show(True)
+ item[5].Enable()
+ item[6].Enable()
+
+ def update_pinhole_smear(self):
+ """
+ Method to be called by sub-classes
+ Moveit; This method doesn't belong here
+ """
+ print "BasicPage.update_pinhole_smear was called: skipping"
+ return
+
+ def _read_category_info(self):
+ """
+ Reads the categories in from file
+ """
+ # # ILL mod starts here - July 2012 kieranrcampbell at gmail.com
+ self.master_category_dict = defaultdict(list)
+ self.by_model_dict = defaultdict(list)
+ self.model_enabled_dict = defaultdict(bool)
+ categorization_file = CategoryInstaller.get_user_file()
+ with open(categorization_file, 'rb') as f:
+ self.master_category_dict = json.load(f)
+ self._regenerate_model_dict()
+
+ def _regenerate_model_dict(self):
+ """
+ regenerates self.by_model_dict which has each model name as the
+ key and the list of categories belonging to that model
+ along with the enabled mapping
+ """
+ self.by_model_dict = defaultdict(list)
+ for category in self.master_category_dict:
+ for (model, enabled) in self.master_category_dict[category]:
+ self.by_model_dict[model].append(category)
+ self.model_enabled_dict[model] = enabled
+
+ def _populate_listbox(self):
+ """
+ fills out the category list box
+ """
+ uncat_str = 'Plugin Models'
+ self._read_category_info()
+
+ self.categorybox.Clear()
+ cat_list = sorted(self.master_category_dict.keys())
+ if uncat_str not in cat_list:
+ cat_list.append(uncat_str)
+
+ for category in cat_list:
+ if category != '':
+ self.categorybox.Append(category)
+
+ if self.categorybox.GetSelection() == wx.NOT_FOUND:
+ self.categorybox.SetSelection(0)
+ else:
+ self.categorybox.SetSelection(
+ self.categorybox.GetSelection())
+ # self._on_change_cat(None)
+
+ def _on_change_cat(self, event):
+ """
+ Callback for category change action
+ """
+ self.model_name = None
+ category = self.categorybox.GetStringSelection()
+ if category is None:
+ return
+ self.model_box.Clear()
+
+ if category == 'Plugin Models':
+ for model in self.model_list_box[category]:
+ str_m = str(model).split(".")[0]
+ self.model_box.Append(str_m)
+
+ else:
+ for (model, enabled) in sorted(self.master_category_dict[category],
+ key=lambda name: name[0]):
+ if(enabled):
+ self.model_box.Append(model)
+
+ def _fill_model_sizer(self, sizer):
+ """
+ fill sizer containing model info
+ """
+ # This should only be called once per fit tab
+ # print "==== Entering _fill_model_sizer"
+ # Add model function Details button in fitpanel.
+ # The following 3 lines are for Mac. Let JHC know before modifying...
+ title = "Model"
+ self.formfactorbox = None
+ self.multifactorbox = None
+ self.mbox_description = wx.StaticBox(self, wx.ID_ANY, str(title))
+ boxsizer1 = wx.StaticBoxSizer(self.mbox_description, wx.VERTICAL)
+ sizer_cat = wx.BoxSizer(wx.HORIZONTAL)
+ self.mbox_description.SetForegroundColour(wx.RED)
+ wx_id = self._ids.next()
+ self.model_func = wx.Button(self, wx_id, 'Help', size=(80, 23))
+ self.model_func.Bind(wx.EVT_BUTTON, self.on_function_help_clicked,
+ id=wx_id)
+ self.model_func.SetToolTipString("Full Model Function Help")
+ wx_id = self._ids.next()
+ self.model_help = wx.Button(self, wx_id, 'Description', size=(80, 23))
+ self.model_help.Bind(wx.EVT_BUTTON, self.on_model_help_clicked,
+ id=wx_id)
+ self.model_help.SetToolTipString("Short Model Function Description")
+ wx_id = self._ids.next()
+ self.model_view = wx.Button(self, wx_id, "Show 2D", size=(80, 23))
+ self.model_view.Bind(wx.EVT_BUTTON, self._onModel2D, id=wx_id)
+ hint = "toggle view of model from 1D to 2D or 2D to 1D"
+ self.model_view.SetToolTipString(hint)
+
+ cat_set_box = wx.StaticBox(self, wx.ID_ANY, 'Category')
+ sizer_cat_box = wx.StaticBoxSizer(cat_set_box, wx.HORIZONTAL)
+ sizer_cat_box.SetMinSize((200, 50))
+ self.categorybox = wx.ComboBox(self, wx.ID_ANY,
+ style=wx.CB_READONLY)
+ self.categorybox.SetToolTip(wx.ToolTip("Select a Category/Type"))
+ self._populate_listbox()
+ wx.EVT_COMBOBOX(self.categorybox, wx.ID_ANY, self._show_combox)
+ # self.shape_rbutton = wx.RadioButton(self, wx.ID_ANY, 'Shapes',
+ # style=wx.RB_GROUP)
+ # self.shape_indep_rbutton = wx.RadioButton(self, wx.ID_ANY,
+ # "Shape-Independent")
+ # self.struct_rbutton = wx.RadioButton(self, wx.ID_ANY,
+ # "Structure Factor ")
+ # self.plugin_rbutton = wx.RadioButton(self, wx.ID_ANY,
+ # "Uncategorized")
+
+ # self.Bind(wx.EVT_RADIOBUTTON, self._show_combox,
+ # id=self.shape_rbutton.GetId())
+ # self.Bind(wx.EVT_RADIOBUTTON, self._show_combox,
+ # id=self.shape_indep_rbutton.GetId())
+ # self.Bind(wx.EVT_RADIOBUTTON, self._show_combox,
+ # id=self.struct_rbutton.GetId())
+ # self.Bind(wx.EVT_RADIOBUTTON, self._show_combox,
+ # id=self.plugin_rbutton.GetId())
+ # MAC needs SetValue
+
+ show_cat_button = wx.Button(self, wx.ID_ANY, "Modify")
+ cat_tip = "Modify model categories \n"
+ cat_tip += "(also accessible from the menu bar)."
+ show_cat_button.SetToolTip(wx.ToolTip(cat_tip))
+ show_cat_button.Bind(wx.EVT_BUTTON, self._on_modify_cat)
+ sizer_cat_box.Add(self.categorybox, 1, wx.RIGHT, 3)
+ sizer_cat_box.Add((10, 10))
+ sizer_cat_box.Add(show_cat_button)
+ # self.shape_rbutton.SetValue(True)
+
+ sizer_radiobutton = wx.GridSizer(2, 2, 5, 5)
+ # sizer_radiobutton.Add(self.shape_rbutton)
+ # sizer_radiobutton.Add(self.shape_indep_rbutton)
+ sizer_radiobutton.Add((5, 5))
+ sizer_radiobutton.Add(self.model_view, 1, wx.RIGHT, 5)
+ # sizer_radiobutton.Add(self.plugin_rbutton)
+ # sizer_radiobutton.Add(self.struct_rbutton)
+ # sizer_radiobutton.Add((5,5))
+ sizer_radiobutton.Add(self.model_help, 1, wx.RIGHT | wx.LEFT, 5)
+ # sizer_radiobutton.Add((5,5))
+ sizer_radiobutton.Add(self.model_func, 1, wx.RIGHT, 5)
+ sizer_cat.Add(sizer_cat_box, 1, wx.LEFT, 2.5)
+ sizer_cat.Add(sizer_radiobutton)
+ sizer_selection = wx.BoxSizer(wx.HORIZONTAL)
+ mutifactor_selection = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.text1 = wx.StaticText(self, wx.ID_ANY, "")
+ self.text2 = wx.StaticText(self, wx.ID_ANY, "P(Q)*S(Q)")
+ self.mutifactor_text = wx.StaticText(self, wx.ID_ANY, "No. of Shells: ")
+ self.mutifactor_text1 = wx.StaticText(self, wx.ID_ANY, "")
+ self.show_sld_button = wx.Button(self, wx.ID_ANY, "Show SLD Profile")
+ self.show_sld_button.Bind(wx.EVT_BUTTON, self._on_show_sld)
+
+ self.formfactorbox = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ self.formfactorbox.SetToolTip(wx.ToolTip("Select a Model"))
+ if self.model is not None:
+ self.formfactorbox.SetValue(self.model.name)
+ self.structurebox = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ self.multifactorbox = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ self.initialize_combox()
+ wx.EVT_COMBOBOX(self.formfactorbox, wx.ID_ANY, self._on_select_model)
+
+ wx.EVT_COMBOBOX(self.structurebox, wx.ID_ANY, self._on_select_model)
+ wx.EVT_COMBOBOX(self.multifactorbox, wx.ID_ANY, self._on_select_model)
+ # check model type to show sizer
+ if self.model is not None:
+ print "_set_model_sizer_selection: disabled."
+ # self._set_model_sizer_selection(self.model)
+
+ sizer_selection.Add(self.text1)
+ sizer_selection.Add((10, 5))
+ sizer_selection.Add(self.formfactorbox)
+ sizer_selection.Add((5, 5))
+ sizer_selection.Add(self.text2)
+ sizer_selection.Add((5, 5))
+ sizer_selection.Add(self.structurebox)
+
+ mutifactor_selection.Add((13, 5))
+ mutifactor_selection.Add(self.mutifactor_text)
+ mutifactor_selection.Add(self.multifactorbox)
+ mutifactor_selection.Add((5, 5))
+ mutifactor_selection.Add(self.mutifactor_text1)
+ mutifactor_selection.Add((10, 5))
+ mutifactor_selection.Add(self.show_sld_button)
+
+ boxsizer1.Add(sizer_cat)
+ boxsizer1.Add((10, 10))
+ boxsizer1.Add(sizer_selection)
+ boxsizer1.Add((10, 10))
+ boxsizer1.Add(mutifactor_selection)
+
+ self._set_multfactor_combobox()
+ self.multifactorbox.SetSelection(1)
+ self.show_sld_button.Hide()
+ sizer.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+ sizer.Layout()
+
+ def on_smear_helper(self, update=False):
+ """
+ Help for onSmear if implemented
+
+ :param update: force or not to update
+ """
+ def reset_page(self, state, first=False):
+ """
+ reset the state if implemented
+ """
+ def onSmear(self, event):
+ """
+ Create a smear object if implemented
+ """
+ def onPinholeSmear(self, event):
+ """
+ Create a custom pinhole smear object if implemented
+ """
+ def onSlitSmear(self, event):
+ """
+ Create a custom slit smear object if implemented
+ """
+ def update_slit_smear(self):
+ """
+ called by kill_focus on pinhole TextCntrl
+ to update the changes if implemented
+ """
+ def select_param(self, event):
+ """
+ Select TextCtrl checked if implemented
+ """
+ def set_data(self, data=None):
+ """
+ Sets data if implemented
+ """
+ def _is_2D(self):
+ """
+ Check if data_name is Data2D if implemented
+ """
+ def _on_select_model(self, event=None):
+ """
+ call back for model selection if implemented
+ """
+ def get_weight_flag(self):
+ """
+ Get flag corresponding to a given weighting dI data if implemented
+ """
+ def _set_sizer_dispersion(self):
+ """
+ draw sizer for dispersity if implemented
+ """
+ def get_all_checked_params(self):
+ """
+ Found all parameters current check and add them to list of parameters
+ to fit if implemented
+ """
+ def show_npts2fit(self):
+ """
+ setValue Npts for fitting if implemented
+ """
+ def _onModel2D(self, event):
+ """
+ toggle view of model from 1D to 2D or 2D from 1D if implemented
+ """
+
+
+class ModelTextCtrl(wx.TextCtrl):
+ """
+ Text control for model and fit parameters.
+ Binds the appropriate events for user interactions.
+ Default callback methods can be overwritten on initialization
+
+ :param kill_focus_callback: callback method for EVT_KILL_FOCUS event
+ :param set_focus_callback: callback method for EVT_SET_FOCUS event
+ :param mouse_up_callback: callback method for EVT_LEFT_UP event
+ :param text_enter_callback: callback method for EVT_TEXT_ENTER event
+
+ """
+ # Set to True when the mouse is clicked while whole string is selected
+ full_selection = False
+ # Call back for EVT_SET_FOCUS events
+ _on_set_focus_callback = None
+
+ def __init__(self, parent, id=-1,
+ value=wx.EmptyString,
+ pos=wx.DefaultPosition,
+ size=wx.DefaultSize,
+ style=0,
+ validator=wx.DefaultValidator,
+ name=wx.TextCtrlNameStr,
+ kill_focus_callback=None,
+ set_focus_callback=None,
+ mouse_up_callback=None,
+ text_enter_callback=None):
+
+ wx.TextCtrl.__init__(self, parent, id, value, pos,
+ size, style, validator, name)
+
+ # Bind appropriate events
+ self._on_set_focus_callback = parent.onSetFocus \
+ if set_focus_callback is None else set_focus_callback
+ self.Bind(wx.EVT_SET_FOCUS, self._on_set_focus)
+ self.Bind(wx.EVT_KILL_FOCUS, self._silent_kill_focus
+ if kill_focus_callback is None else kill_focus_callback)
+ self.Bind(wx.EVT_TEXT_ENTER, parent._onparamEnter
+ if text_enter_callback is None else text_enter_callback)
+ if not ON_MAC:
+ self.Bind(wx.EVT_LEFT_UP, self._highlight_text
+ if mouse_up_callback is None else mouse_up_callback)
+
+ def _on_set_focus(self, event):
+ """
+ Catch when the text control is set in focus to highlight the whole
+ text if necessary
+
+ :param event: mouse event
+
+ """
+ event.Skip()
+ self.full_selection = True
+ return self._on_set_focus_callback(event)
+
+ def _highlight_text(self, event):
+ """
+ Highlight text of a TextCtrl only of no text has be selected
+
+ :param event: mouse event
+
+ """
+ # Make sure the mouse event is available to other listeners
+ event.Skip()
+ control = event.GetEventObject()
+ if self.full_selection:
+ self.full_selection = False
+ # Check that we have a TextCtrl
+ if issubclass(control.__class__, wx.TextCtrl):
+ # Check whether text has been selected,
+ # if not, select the whole string
+ (start, end) = control.GetSelection()
+ if start == end:
+ control.SetSelection(-1, -1)
+
+ def _silent_kill_focus(self, event):
+ """
+ Save the state of the page
+ """
+
+ event.Skip()
+ # pass
diff --git a/src/sas/sasgui/perspectives/fitting/batchfitpage.py b/src/sas/sasgui/perspectives/fitting/batchfitpage.py
new file mode 100644
index 0000000..5089da6
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/batchfitpage.py
@@ -0,0 +1,425 @@
+"""
+Batch panel
+"""
+import wx
+import wx.lib.newevent
+import math
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import NewPlotEvent
+
+(Chi2UpdateEvent, EVT_CHI2_UPDATE) = wx.lib.newevent.NewEvent()
+_BOX_WIDTH = 76
+_DATA_BOX_WIDTH = 300
+SMEAR_SIZE_L = 0.00
+SMEAR_SIZE_H = 0.00
+
+from sas.sasgui.perspectives.fitting.basepage import PageInfoEvent
+from sas.sascalc.data_util.qsmearing import smear_selection
+from sas.sasgui.perspectives.fitting.fitpage import FitPage
+from sas.sasgui.perspectives.fitting.fitpage import check_data_validity
+
+class BatchFitPage(FitPage):
+ """
+ Batch Page
+ """
+ window_name = "BatchFit"
+ window_caption = "BatchFit"
+
+ def __init__(self, parent, color=None):
+ """
+ Initialization of the Panel
+ """
+ FitPage.__init__(self, parent, color=color)
+
+ ## draw sizer
+
+ def _fill_data_sizer(self):
+ """
+ fill sizer 0 with data info
+ """
+ self.data_box_description = wx.StaticBox(self, wx.ID_ANY, 'I(q) Data Source')
+ if check_data_validity(self.data):
+ dname_color = wx.BLUE
+ else:
+ dname_color = wx.RED
+ self.data_box_description.SetForegroundColour(dname_color)
+ boxsizer1 = wx.StaticBoxSizer(self.data_box_description, wx.VERTICAL)
+ #----------------------------------------------------------
+ sizer_data = wx.BoxSizer(wx.VERTICAL)
+ text1 = wx.StaticText(self, wx.ID_ANY, ' - Choose a file to set initial fit parameters -')
+ text1.SetForegroundColour(wx.RED)
+ sizer_data.Add(text1)
+ text2 = wx.StaticText(self, wx.ID_ANY, ' - This panel is not designed to view individual fits. - ')
+ text2.SetForegroundColour(wx.RED)
+ sizer_data.Add(text2)
+
+ combo = wx.BoxSizer(wx.HORIZONTAL)
+ self.dataSource = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.dataSource, wx.ID_ANY, self.on_select_data)
+ self.dataSource.SetMinSize((_DATA_BOX_WIDTH, -1))
+
+ combo.Add(wx.StaticText(self, wx.ID_ANY, 'Name : '))
+ combo.Add((0, 5))
+ combo.Add(self.dataSource)
+
+ sizer_data.Add(combo, 0, wx.ALL, 10)
+ boxsizer1.Add(sizer_data, 0, wx.ALL, 0)
+ self.sizer0.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+ self.sizer0.Layout()
+
+# COMMENTED OUT TO USE METHODS INHERITED FROM fitpage.py
+
+# def _fill_range_sizer(self):
+# """
+# Fill the sizer containing the plotting range
+# add access to npts
+# """
+# is_2Ddata = False
+#
+# # Check if data is 2D
+# if self.data.__class__.__name__ == "Data2D" or \
+# self.enable2D:
+# is_2Ddata = True
+#
+# title = "Fitting"
+# self._get_smear_info()
+#
+# #Sizers
+# box_description_range = wx.StaticBox(self, wx.ID_ANY, str(title))
+# boxsizer_range = wx.StaticBoxSizer(box_description_range, wx.VERTICAL)
+# self.sizer_set_smearer = wx.BoxSizer(wx.VERTICAL)
+# #sizer_smearer = wx.BoxSizer(wx.HORIZONTAL)
+# self.sizer_new_smear = wx.BoxSizer(wx.HORIZONTAL)
+# self.sizer_set_masking = wx.BoxSizer(wx.HORIZONTAL)
+# sizer_chi2 = wx.BoxSizer(wx.VERTICAL)
+#
+# sizer_fit = wx.GridSizer(2, 4, 2, 6)
+# #Fit button
+# self.btFit = wx.Button(self, self._ids.next(), 'Fit', size=(88, 25))
+# self.default_bt_colour = self.btFit.GetDefaultAttributes()
+# self.btFit.Bind(wx.EVT_BUTTON, self._onFit, id= self.btFit.GetId())
+# self.btFit.SetToolTipString("Start fitting.")
+#
+# # Update and Draw button
+# self.draw_button = wx.Button(self, self._ids.next(), 'Compute', size=(88, 24))
+# self.draw_button.Bind(wx.EVT_BUTTON, \
+# self._onDraw,id=self.draw_button.GetId())
+# self.draw_button.SetToolTipString("Compute and Draw.")
+# sizer_fit.Add(self.draw_button, 0, 0)
+# sizer_fit.Add(self.btFit, 0, 0)
+# sizer_chi2.Add((-1, 5))
+# # get smear_selection
+# self.current_smearer = smear_selection( self.data, self.model )
+# boxsizer_range.Add(self.sizer_set_masking)
+# #2D data? default
+# is_2Ddata = False
+#
+# #check if it is 2D data
+# if self.data.__class__.__name__ == "Data2D" or \
+# self.enable2D:
+# is_2Ddata = True
+#
+# self.sizer5.Clear(True)
+#
+# self.qmin = ModelTextCtrl(self, wx.ID_ANY, size=(_BOX_WIDTH, 20),
+# style=wx.TE_PROCESS_ENTER,
+# text_enter_callback = self._onQrangeEnter)
+# self.qmin.SetValue(str(self.qmin_x))
+# self.qmin.SetToolTipString("Minimun value of Q in linear scale.")
+#
+# self.qmax = ModelTextCtrl(self, wx.ID_ANY, size=(_BOX_WIDTH, 20),
+# style=wx.TE_PROCESS_ENTER,
+# text_enter_callback=self._onQrangeEnter)
+# self.qmax.SetValue(str(self.qmax_x))
+# self.qmax.SetToolTipString("Maximum value of Q in linear scale.")
+#
+# id = self._ids.next()
+# self.reset_qrange =wx.Button(self, id, 'Reset', size=(77, 20))
+#
+# self.reset_qrange.Bind(wx.EVT_BUTTON, self.on_reset_clicked, id=id)
+# self.reset_qrange.SetToolTipString(\
+# "Reset Q range to the default values")
+#
+# sizer_horizontal = wx.BoxSizer(wx.HORIZONTAL)
+# sizer = wx.GridSizer(2, 4, 2, 6)
+#
+# self.btEditMask = wx.Button(self, self._ids.next(),'Editor', size=(88, 23))
+# self.btEditMask.Bind(wx.EVT_BUTTON,
+# self._onMask,id=self.btEditMask.GetId())
+# self.btEditMask.SetToolTipString("Edit Mask.")
+# self.EditMask_title = wx.StaticText(self, wx.ID_ANY, ' Masking(2D)')
+#
+# sizer.Add(wx.StaticText(self, wx.ID_ANY, 'Q range'))
+# sizer.Add(wx.StaticText(self, wx.ID_ANY, ' Min[1/A]'))
+# sizer.Add(wx.StaticText(self, wx.ID_ANY, ' Max[1/A]'))
+# sizer.Add(self.EditMask_title)
+#
+# sizer.Add(self.reset_qrange)
+# sizer.Add(self.qmin)
+# sizer.Add(self.qmax)
+#
+# sizer.Add(self.btEditMask)
+# boxsizer_range.Add(sizer_chi2)
+# boxsizer_range.Add((10, 10))
+# boxsizer_range.Add(sizer)
+#
+# boxsizer_range.Add((10, 15))
+# boxsizer_range.Add(sizer_fit)
+# if is_2Ddata:
+# self.btEditMask.Enable()
+# self.EditMask_title.Enable()
+# else:
+# self.btEditMask.Disable()
+# self.EditMask_title.Disable()
+#
+# ## save state
+# #self.save_current_state()
+#
+# self.sizer5.Add(boxsizer_range, 0, wx.EXPAND | wx.ALL, 10)
+# self.sizer5.Layout()
+#
+# def _on_select_model(self, event=None):
+# """
+# call back for model selection
+# """
+#
+# self.Show(False)
+# self._on_select_model_helper()
+# self.set_model_param_sizer(self.model)
+# if self.model is None:
+# self._set_bookmark_flag(False)
+# self._keep.Enable(False)
+# self._set_save_flag(False)
+# self.enable_disp.SetValue(False)
+# self.disable_disp.SetValue(True)
+# try:
+# self.set_dispers_sizer()
+# except:
+# pass
+# self.state.structurecombobox = self.structurebox.GetCurrentSelection()
+# self.state.formfactorcombobox = self.formfactorbox.GetCurrentSelection()
+#
+# if self.model != None:
+# self._set_copy_flag(True)
+# self._set_paste_flag(True)
+# if self.data != None:
+# self._set_bookmark_flag(False)
+# self._keep.Enable(False)
+#
+# temp_smear = None
+# ## event to post model to fit to fitting plugins
+# (ModelEventbox, _) = wx.lib.newevent.NewEvent()
+#
+# ## set smearing value whether or not
+# # the data contain the smearing info
+# evt = ModelEventbox(model=self.model,
+# smearer=temp_smear,
+# qmin=float(self.qmin_x),
+# uid=self.uid,
+# qmax=float(self.qmax_x))
+#
+# self._manager._on_model_panel(evt=evt)
+# self.mbox_description.SetLabel("Model [%s]" % str(self.model.name))
+# self.state.model = self.model.clone()
+# self.state.model.name = self.model.name
+#
+#
+# if event != None:
+# ## post state to fit panel
+# new_event = PageInfoEvent(page = self)
+# wx.PostEvent(self.parent, new_event)
+# #update list of plugins if new plugin is available
+# if self.plugin_rbutton.GetValue():
+# temp = self.parent.update_model_list()
+# if temp:
+# self.model_list_box = temp
+# current_val = self.formfactorbox.GetValue()
+# pos = self.formfactorbox.GetSelection()
+# self._show_combox_helper()
+# self.formfactorbox.SetSelection(pos)
+# self.formfactorbox.SetValue(current_val)
+# self._onDraw(event=None)
+# else:
+# self._draw_model()
+# self.SetupScrolling()
+# self.Show(True)
+#
+# def _update_paramv_on_fit(self):
+# """
+# make sure that update param values just before the fitting
+# """
+# #flag for qmin qmax check values
+# flag = True
+# self.fitrange = True
+# is_modified = False
+#
+# if self.model != None:
+# ##Check the values
+# self._check_value_enter( self.fittable_param)
+# self._check_value_enter( self.fixed_param)
+# self._check_value_enter( self.parameters)
+#
+# # If qmin and qmax have been modified, update qmin and qmax and
+# # Here we should check whether the boundaries have been modified.
+# # If qmin and qmax have been modified, update qmin and qmax and
+# # set the is_modified flag to True
+# self.fitrange = self._validate_qrange(self.qmin, self.qmax)
+# if self.fitrange:
+# tempmin = float(self.qmin.GetValue())
+# if tempmin != self.qmin_x:
+# self.qmin_x = tempmin
+# tempmax = float(self.qmax.GetValue())
+# if tempmax != self.qmax_x:
+# self.qmax_x = tempmax
+# if tempmax == tempmin:
+# flag = False
+# #temp_smearer = None
+# if self._is_2D():
+# # only 2D case set mask
+# flag = self._validate_Npts()
+# if not flag:
+# return flag
+# else: flag = False
+# else:
+# flag = False
+#
+# #For invalid q range, disable the mask editor and fit button, vs.
+# if not self.fitrange:
+# #self.btFit.Disable()
+# if self._is_2D():
+# self.btEditMask.Disable()
+# else:
+# #self.btFit.Enable(True)
+# if self._is_2D() and self.data != None:
+# self.btEditMask.Enable(True)
+#
+# if not flag:
+# msg = "Cannot Plot or Fit :Must select a "
+# msg += " model or Fitting range is not valid!!! "
+# wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+#
+# self.save_current_state()
+#
+# return flag
+# def save_current_state(self):
+# """
+# Currently no save option implemented for batch page
+# """
+# pass
+# def save_current_state_fit(self):
+# """
+# Currently no save option implemented for batch page
+# """
+# pass
+# def set_data(self, data):
+# """
+# reset the current data
+# """
+# #id = None
+# group_id = None
+# flag = False
+# if self.data is None and data is not None:
+# flag = True
+# if data is not None:
+# #id = data.id
+# group_id = data.group_id
+# if self.data is not None:
+# flag = (data.id != self.data.id)
+# self.data = data
+# if self.data is None:
+# data_min = ""
+# data_max = ""
+# data_name = ""
+# self._set_bookmark_flag(False)
+# self._keep.Enable(False)
+# self._set_save_flag(False)
+# else:
+# if self.model != None:
+# self._set_bookmark_flag(False)
+# self._keep.Enable(False)
+# self._set_save_flag(False)
+# self._set_preview_flag(True)
+#
+# self.formfactorbox.Enable()
+# self.structurebox.Enable()
+# data_name = self.data.name
+# #set maximum range for x in linear scale
+# if not hasattr(self.data,"data"): #Display only for 1D data fit
+# # Minimum value of data
+# data_min = min(self.data.x)
+# # Maximum value of data
+# data_max = max(self.data.x)
+# self.btEditMask.Disable()
+# self.EditMask_title.Disable()
+# else:
+#
+# ## Minimum value of data
+# data_min = 0
+# x = max(math.fabs(self.data.xmin), math.fabs(self.data.xmax))
+# y = max(math.fabs(self.data.ymin), math.fabs(self.data.ymax))
+# ## Maximum value of data
+# data_max = math.sqrt(x*x + y*y)
+# self.btEditMask.Enable()
+# self.EditMask_title.Enable()
+#
+# self.dataSource.SetValue(data_name)
+# self.qmin_x = data_min
+# self.qmax_x = data_max
+# #self.minimum_q.SetValue(str(data_min))
+# #self.maximum_q.SetValue(str(data_max))
+# self.qmin.SetValue(str(data_min))
+# self.qmax.SetValue(str(data_max))
+# self.qmin.SetBackgroundColour("white")
+# self.qmax.SetBackgroundColour("white")
+# self.state.data = data
+# self.state.qmin = self.qmin_x
+# self.state.qmax = self.qmax_x
+#
+# #update model plot with new data information
+# if flag:
+# #set model view button
+# if self.data.__class__.__name__ == "Data2D":
+# self.enable2D = True
+# self.model_view.SetLabel("2D Mode")
+# else:
+# self.enable2D = False
+# self.model_view.SetLabel("1D Mode")
+#
+# self.model_view.Disable()
+#
+# wx.PostEvent(self._manager.parent,
+# NewPlotEvent(group_id=group_id,
+# action="delete"))
+# #plot the current selected data
+# wx.PostEvent(self._manager.parent, NewPlotEvent(plot=self.data,
+# title=str(self.data.title)))
+# self._manager.store_data(uid=self.uid, data=data,
+# data_list=self.data_list,
+# caption=self.window_name)
+# self._draw_model()
+
+
+
+class BGTextCtrl(wx.TextCtrl):
+ """
+ Text control used to display outputs.
+ No editing allowed. The background is
+ grayed out. User can't select text.
+ """
+ def __init__(self, *args, **kwds):
+ wx.TextCtrl.__init__(self, *args, **kwds)
+ self.SetEditable(False)
+ self.SetBackgroundColour(self.GetParent().parent.GetBackgroundColour())
+
+ # Bind to mouse event to avoid text highlighting
+ # The event will be skipped once the call-back
+ # is called.
+ self.Bind(wx.EVT_MOUSE_EVENTS, self._click)
+
+ def _click(self, event):
+ """
+ Prevent further handling of the mouse event
+ by not calling Skip().
+ """
+ pass
+
diff --git a/src/sas/sasgui/perspectives/fitting/console.py b/src/sas/sasgui/perspectives/fitting/console.py
new file mode 100644
index 0000000..8d49823
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/console.py
@@ -0,0 +1,183 @@
+
+
+
+from sas.sasgui.guiframe.events import StatusEvent
+import time
+import wx
+from sas.sascalc.fit import FitHandler
+
+class ConsoleUpdate(FitHandler):
+ """
+ Print progress to the console.
+ """
+ isbetter = False
+ """Record whether results improved since last update"""
+ progress_delta = 60
+ """Number of seconds between progress updates"""
+ improvement_delta = 5
+ """Number of seconds between improvement updates"""
+ def __init__(self, parent, manager=None,
+ quiet=False, progress_delta=60, improvement_delta=5):
+ """
+ If quiet is true, only print out final summary, not progress and
+ improvements.
+
+ :attr parent: the object that handle the messages
+
+ """
+ self.parent = parent
+ self.manager = manager
+ self.progress_time = time.time()
+ self.progress_percent = 0
+ self.improvement_time = self.progress_time
+ self.isbetter = False
+ self.quiet = quiet
+ self.progress_delta = progress_delta
+ self.improvement_delta = improvement_delta
+ self.elapsed_time = time.time()
+ self.update_duration = time.time()
+ self.fit_duration = 0
+
+
+ def progress(self, k, n):
+ """
+ Report on progress.
+ """
+ if self.quiet: return
+
+ t = time.time()
+ p = int((100 * k) // n)
+
+ # Show improvements if there are any
+ dt = t - self.improvement_time
+ if self.isbetter and dt > self.improvement_delta:
+ #self.result.print_summary()
+ self.update_fit()
+ self.isbetter = False
+ self.improvement_time = t
+
+ # Update percent complete
+ dp = p - self.progress_percent
+ if dp < 1: return
+ dt = t - self.progress_time
+ if dt > self.progress_delta:
+ if 1 <= dp <= 2:
+ self.progress_percent = p
+ self.progress_time = t
+ self.update_fit()
+ elif 2 < dp <= 5:
+ if p // 5 != self.progress_percent // 5:
+ self.progress_percent = p
+ self.progress_time = t
+ else:
+ if p // 10 != self.progress_percent // 10:
+ self.progress_percent = p
+ self.progress_time = t
+ self.update_fit()
+
+ def improvement(self):
+ """
+ Called when a result is observed which is better than previous
+ results from the fit.
+ """
+ self.isbetter = True
+
+ def print_result(self):
+ """
+ Print result object
+ """
+ msg = " \n %s \n" % str(self.result)
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ def error(self, msg):
+ """
+ Model had an error; print traceback
+ """
+ if self.isbetter:
+ #self.result.print_summary()
+ self.update_fit()
+
+ message = str(msg) + " \n %s \n" % self.result.__str__()
+ wx.PostEvent(self.parent, StatusEvent(status=message,
+ info="error", type="stop"))
+ def stop(self, msg):
+ """
+ Post event msg and stop
+ """
+ if self.isbetter:
+ #self.result.print_summary()
+ self.update_fit()
+
+ message = str(msg) + " \n %s \n" % self.result.__str__()
+ wx.PostEvent(self.parent, StatusEvent(status=message,
+ info="info", type="stop"))
+
+ def finalize(self):
+ """
+ """
+ if self.isbetter:
+ #self.result.print_summary()
+ self.update_fit()
+
+ def abort(self):
+ """
+ """
+ if self.isbetter:
+ #self.result.print_summary()
+ self.update_fit()
+
+
+ def update_fit(self, last=False):
+ """
+ """
+ t1 = time.time()
+ self.elapsed_time = t1 - self.update_duration
+ self.update_duration = t1
+ self.fit_duration += self.elapsed_time
+ str_time = time.strftime("%Y-%m-%d %H:%M:%S ", time.localtime(t1))
+ UPDATE_INTERVAL = 5.0
+ u_flag = False
+ if self.fit_duration >= UPDATE_INTERVAL:
+ self.fit_duration = 0
+ u_flag = True
+ msg = str_time
+ if u_flag or last:
+ if self.result is not None:
+ data_name, model_name = None, None
+ d_flag = (hasattr(self.result, "data") and \
+ self.result.data is not None and \
+ hasattr(self.result.data, "sas_data") and
+ self.result.data.sas_data is not None)
+ m_flag = (hasattr(self.result, "model") and \
+ self.result.model is not None)
+ if d_flag:
+ data_name = self.result.data.sas_data.name
+ if m_flag:
+ model_name = str(self.result.model.name)
+ if m_flag and d_flag:
+ msg += "Data : %s \n" % (str(data_name))#,
+ #str(model_name))
+ msg += str(self.result)
+ msg += "\n"
+ else:
+ msg += "No result available\n"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="info",
+ type="progress"))
+
+ def starting_fit(self):
+ """
+ """
+ wx.PostEvent(self.parent, StatusEvent(status="Starting the Fit...",
+ info="info", type="progress"))
+
+ def set_result(self, result):
+ """
+ """
+ self.result = result
+
+ def get_result(self):
+ """
+ """
+ return self.result
+
+
diff --git a/src/sas/sasgui/perspectives/fitting/fit_thread.py b/src/sas/sasgui/perspectives/fitting/fit_thread.py
new file mode 100644
index 0000000..9af054e
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/fit_thread.py
@@ -0,0 +1,108 @@
+
+import sys
+import time
+from sas.sascalc.data_util.calcthread import CalcThread
+
+def map_getattr(classInstance, classFunc, *args):
+ """
+ Take an instance of a class and a function name as a string.
+ Execute class.function and return result
+ """
+ return getattr(classInstance, classFunc)(*args)
+
+def map_apply(arguments):
+ return apply(arguments[0], arguments[1:])
+
+class FitThread(CalcThread):
+ """Thread performing the fit """
+
+ def __init__(self,
+ fn,
+ page_id,
+ handler,
+ batch_outputs,
+ batch_inputs=None,
+ pars=None,
+ completefn=None,
+ updatefn=None,
+ yieldtime=0.03,
+ worktime=0.03,
+ reset_flag=False):
+ CalcThread.__init__(self,
+ completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.handler = handler
+ self.fitter = fn
+ self.pars = pars
+ self.batch_inputs = batch_inputs
+ self.batch_outputs = batch_outputs
+ self.page_id = page_id
+ self.starttime = time.time()
+ self.updatefn = updatefn
+ #Relative error desired in the sum of squares.
+ self.reset_flag = reset_flag
+
+ def isquit(self):
+ """
+ :raise KeyboardInterrupt: when the thread is interrupted
+
+ """
+ try:
+ CalcThread.isquit(self)
+ except KeyboardInterrupt:
+ msg = "Fitting: terminated by the user."
+ raise KeyboardInterrupt, msg
+
+ def compute(self):
+ """
+ Perform a fit
+ """
+ msg = ""
+ try:
+ import copy
+ list_handler = []
+ list_curr_thread = []
+ list_reset_flag = []
+ list_map_get_attr = []
+ list_fit_function = []
+ list_q = []
+ for i in range(len(self.fitter)):
+ list_handler.append(self.handler)
+ list_q.append(None)
+ list_curr_thread.append(self)
+ list_reset_flag.append(self.reset_flag)
+ list_fit_function.append('fit')
+ list_map_get_attr.append(map_getattr)
+ #from multiprocessing import Pool
+ inputs = zip(list_map_get_attr, self.fitter, list_fit_function,
+ list_q, list_q, list_handler, list_curr_thread,
+ list_reset_flag)
+ result = map(map_apply, inputs)
+
+ self.complete(result=result,
+ batch_inputs=self.batch_inputs,
+ batch_outputs=self.batch_outputs,
+ page_id=self.page_id,
+ pars=self.pars,
+ elapsed=time.time() - self.starttime)
+
+ except KeyboardInterrupt, msg:
+ # Thread was interrupted, just proceed and re-raise.
+ # Real code should not print, but this is an example...
+ #print "keyboard exception"
+ #Stop on exception during fitting. Todo: need to put
+ #some mssg and reset progress bar.
+
+ # Shouldn't this be re-raising? ConsoleUpdate doesn't act on it.
+ # raise KeyboardInterrupt
+ if self.handler is not None:
+ self.handler.stop(msg=msg)
+ except:
+ import traceback
+ if self.handler is not None:
+ self.handler.error(msg=traceback.format_exc())
+
+
+
diff --git a/src/sas/sasgui/perspectives/fitting/fitpage.py b/src/sas/sasgui/perspectives/fitting/fitpage.py
new file mode 100644
index 0000000..b00398f
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/fitpage.py
@@ -0,0 +1,3209 @@
+"""
+ FitPanel class contains fields allowing to display results when
+ fitting a model and one data
+"""
+import sys
+import wx
+import wx.lib.newevent
+import numpy
+import copy
+import math
+import time
+import traceback
+
+from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
+
+from sas.sasgui.guiframe.events import StatusEvent, NewPlotEvent, \
+ PlotQrangeEvent
+from sas.sasgui.guiframe.dataFitting import check_data_validity
+from sas.sasgui.guiframe.utils import format_number, check_float
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+from sas.sasgui.perspectives.fitting.basepage import BasicPage as BasicPage
+from sas.sasgui.perspectives.fitting.basepage import PageInfoEvent as \
+ PageInfoEvent
+from sas.sascalc.data_util.qsmearing import smear_selection
+from .basepage import ModelTextCtrl
+
+(Chi2UpdateEvent, EVT_CHI2_UPDATE) = wx.lib.newevent.NewEvent()
+_BOX_WIDTH = 76
+_DATA_BOX_WIDTH = 300
+SMEAR_SIZE_H = 0.00
+CUSTOM_MODEL = 'Plugin Models'
+
+class FitPage(BasicPage):
+ """
+ FitPanel class contains fields allowing to display results when
+ fitting a model and one data
+
+ :note: For Fit to be performed the user should check at least one parameter
+ on fit Panel window.
+ """
+
+ def __init__(self, parent, color=None):
+ """
+ Initialization of the Panel
+ """
+ BasicPage.__init__(self, parent, color=color)
+
+ # draw sizer
+ self._fill_data_sizer()
+ self.is_2D = None
+ self.fit_started = False
+ self.weightbt_string = None
+ self.m_name = None
+ # get smear info from data
+ self._get_smear_info()
+ self._fill_model_sizer(self.sizer1)
+ self._get_defult_custom_smear()
+ self._fill_range_sizer()
+ self._set_smear(self.data)
+ self.Bind(EVT_CHI2_UPDATE, self.on_complete_chisqr)
+ # bind key event
+ self.Bind(wx.EVT_RIGHT_DOWN, self.on_right_down)
+ self._set_bookmark_flag(False)
+ self._set_save_flag(False)
+ self._set_preview_flag(False)
+ self._set_copy_flag(False)
+ self._set_paste_flag(False)
+ self.btFit.SetFocus()
+ self.enable_fit_button()
+ self.fill_data_combobox(data_list=self.data_list)
+ # create a default data for an empty panel
+ self.create_default_data()
+ self._manager.frame.Bind(wx.EVT_SET_FOCUS, self.on_set_focus)
+
+ def enable_fit_button(self):
+ """
+ Enable fit button if data is valid and model is valid
+ """
+ flag = check_data_validity(self.data) & (self.model is not None)
+ self.btFit.Enable(flag)
+
+ def on_set_focus(self, event):
+ """
+ Override the basepage focus method to ensure the save flag is set
+ properly when focusing on the fit page.
+ """
+ flag = check_data_validity(self.data) & (self.model is not None)
+ self._set_save_flag(flag)
+ self.parent.on_set_focus(event)
+ self.on_tap_focus()
+
+ def _fill_data_sizer(self):
+ """
+ fill sizer 0 with data info
+ """
+ self.data_box_description = wx.StaticBox(self, wx.ID_ANY,
+ 'I(q) Data Source')
+ if check_data_validity(self.data):
+ dname_color = wx.BLUE
+ else:
+ dname_color = wx.RED
+ self.data_box_description.SetForegroundColour(dname_color)
+ boxsizer1 = wx.StaticBoxSizer(self.data_box_description, wx.VERTICAL)
+ # ----------------------------------------------------------
+ sizer_data = wx.BoxSizer(wx.HORIZONTAL)
+ self.dataSource = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.dataSource, wx.ID_ANY, self.on_select_data)
+ self.dataSource.SetMinSize((_DATA_BOX_WIDTH, -1))
+ sizer_data.Add(wx.StaticText(self, wx.ID_ANY, 'Name : '))
+ sizer_data.Add(self.dataSource)
+ sizer_data.Add((0, 5))
+ boxsizer1.Add(sizer_data, 0, wx.ALL, 10)
+ self.sizer0.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+ self.sizer0.Layout()
+
+ def enable_datasource(self):
+ """
+ Enable or disable data source control depending on existing data
+ """
+ if not self.data_list:
+ self.dataSource.Disable()
+ else:
+ self.dataSource.Enable()
+
+ def fill_data_combobox(self, data_list):
+ """
+ Get a list of data and fill the corresponding combobox
+ """
+ self.dataSource.Clear()
+ self.data_list = data_list
+ self.enable_datasource()
+ if len(data_list) > 0:
+ # find the maximum range covering all data
+ qmin, qmax, npts = self.compute_data_set_range(data_list)
+ self.qmin_data_set = qmin
+ self.qmax_data_set = qmax
+ self.npts_data_set = npts
+
+ self.qmin.SetValue(str(self.qmin_data_set))
+ self.qmax.SetValue(str(self.qmax_data_set))
+ self.qmin.SetBackgroundColour("white")
+ self.qmax.SetBackgroundColour("white")
+ self.qmin_x = self.qmin_data_set
+ self.qmax_x = self.qmax_data_set
+ self.state.qmin = self.qmin_x
+ self.state.qmax = self.qmax_x
+ is_data = False
+ for data in self.data_list:
+ if data is not None:
+ self.dataSource.Append(str(data.name), clientData=data)
+ if not is_data:
+ is_data = check_data_validity(data)
+ if is_data:
+ self.dataSource.SetSelection(0)
+ self.on_select_data(event=None)
+
+ if len(data_list) == 1:
+ self.dataSource.Disable()
+
+ def on_select_data(self, event=None):
+ """
+ On_select_data
+ """
+ if self.dataSource.GetCount() > 0:
+ pos = self.dataSource.GetSelection() if event is not None else 0
+ data = self.dataSource.GetClientData(pos)
+ self.set_data(data)
+
+ def _on_fit_complete(self):
+ """
+ When fit is complete ,reset the fit button label.
+ """
+ self.fit_started = False
+ self.set_fitbutton()
+
+ def _is_2D(self):
+ """
+ Check if data_name is Data2D
+
+ :return: True or False
+ """
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ return True
+ return False
+
+ def _fill_range_sizer(self):
+ """
+ Fill the Fitting sizer on the fit panel which contains: the smearing
+ information (dq), the weighting information (dI or other), the plotting
+ range, access to the 2D mask editor, the compute, fit, and help
+ buttons, xi^2, number of points etc.
+ """
+ is_2d_data = False
+
+ # Check if data is 2D
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ is_2d_data = True
+
+ title = "Fitting"
+ # smear messages & titles
+ smear_message_none = "No smearing is selected..."
+ smear_message_dqdata = "The dQ data is being used for smearing..."
+ smear_message_2d = \
+ "Higher accuracy is very time-expensive. Use it with care..."
+ smear_message_new_ssmear = \
+ "Please enter only the value of interest to customize smearing..."
+ smear_message_new_psmear = \
+ "Please enter a fixed percentage to be applied to all Q values..."
+ smear_message_2d_x_title = "<dQp>[1/A]:"
+ smear_message_2d_y_title = "<dQs>[1/A]:"
+ smear_message_pinhole_percent_title = "dQ[%]:"
+ smear_message_slit_height_title = "Slit height[1/A]:"
+ smear_message_slit_width_title = "Slit width[1/A]:"
+
+ self._get_smear_info()
+
+ # Sizers
+ box_description_range = wx.StaticBox(self, wx.ID_ANY, str(title))
+ box_description_range.SetForegroundColour(wx.BLUE)
+ boxsizer_range = wx.StaticBoxSizer(box_description_range, wx.VERTICAL)
+ self.sizer_set_smearer = wx.BoxSizer(wx.VERTICAL)
+ sizer_smearer = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer_new_smear = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer_set_masking = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_chi2 = wx.BoxSizer(wx.VERTICAL)
+ smear_set_box = wx.StaticBox(self, wx.ID_ANY,
+ 'Set Instrumental Smearing')
+ sizer_smearer_box = wx.StaticBoxSizer(smear_set_box, wx.HORIZONTAL)
+ sizer_smearer_box.SetMinSize((_DATA_BOX_WIDTH, 60))
+
+ weighting_set_box = wx.StaticBox(self, wx.ID_ANY,
+ 'Set Weighting by Selecting dI Source')
+ weighting_box = wx.StaticBoxSizer(weighting_set_box, wx.HORIZONTAL)
+ sizer_weighting = wx.BoxSizer(wx.HORIZONTAL)
+ weighting_box.SetMinSize((_DATA_BOX_WIDTH, 40))
+ # Filling the sizer containing weighting info.
+ self.dI_noweight = wx.RadioButton(self, wx.ID_ANY,
+ 'No Weighting', style=wx.RB_GROUP)
+ self.dI_didata = wx.RadioButton(self, wx.ID_ANY, 'Use dI Data')
+ self.dI_sqrdata = wx.RadioButton(self, wx.ID_ANY, 'Use |sqrt(I Data)|')
+ self.dI_idata = wx.RadioButton(self, wx.ID_ANY, 'Use |I Data|')
+ self.Bind(wx.EVT_RADIOBUTTON, self.onWeighting,
+ id=self.dI_noweight.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.onWeighting,
+ id=self.dI_didata.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.onWeighting,
+ id=self.dI_sqrdata.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.onWeighting,
+ id=self.dI_idata.GetId())
+ self.dI_noweight.SetValue(True)
+ # add 4 types of weighting to the sizer
+ sizer_weighting.Add(self.dI_noweight, 0, wx.LEFT, 10)
+ sizer_weighting.Add((14, 10))
+ sizer_weighting.Add(self.dI_didata)
+ sizer_weighting.Add((14, 10))
+ sizer_weighting.Add(self.dI_sqrdata)
+ sizer_weighting.Add((14, 10))
+ sizer_weighting.Add(self.dI_idata)
+ sizer_weighting.Add((10, 10))
+ self.dI_noweight.Enable(True)
+ self.dI_didata.Enable(False)
+ self.dI_sqrdata.Enable(False)
+ self.dI_idata.Enable(False)
+ weighting_box.Add(sizer_weighting)
+
+ # combobox for smear2d accuracy selection
+ self.smear_accuracy = wx.ComboBox(self, wx.ID_ANY,
+ size=(50, -1), style=wx.CB_READONLY)
+ self._set_accuracy_list()
+ self.smear_accuracy.SetValue(self.smear2d_accuracy)
+ self.smear_accuracy.SetSelection(0)
+ self.smear_accuracy.SetToolTipString(
+ "'Higher' uses more Gaussian points for smearing computation.")
+
+ wx.EVT_COMBOBOX(self.smear_accuracy, wx.ID_ANY,
+ self._on_select_accuracy)
+
+ # Fit button
+ self.btFit = wx.Button(self, self._ids.next(), 'Fit')
+ self.default_bt_colour = self.btFit.GetDefaultAttributes()
+ self.btFit.Bind(wx.EVT_BUTTON, self._onFit, id=self.btFit.GetId())
+ self.btFit.SetToolTipString("Start fitting.")
+
+ # General Help button
+ self.btFitHelp = wx.Button(self, wx.ID_ANY, 'Help')
+ self.btFitHelp.SetToolTipString("General fitting help.")
+ self.btFitHelp.Bind(wx.EVT_BUTTON, self._onFitHelp)
+
+ # Resolution Smearing Help button (for now use same technique as
+ # used for dI help to get tiniest possible button that works
+ # both on MAC and PC. Should completely rewrite the fitting sizer
+ # in future. This is minimum to get out release 3.1
+ # comment June 14, 2015 --- PDB
+ if sys.platform.count("win32") > 0:
+ size_q = (20, 15) # on PC
+ else:
+ size_q = (30, 20) # on MAC
+ self.btSmearHelp = wx.Button(self, wx.ID_ANY, '?',
+ style=wx.BU_EXACTFIT, size=size_q)
+ self.btSmearHelp.SetToolTipString("Resolution smearing help.")
+ self.btSmearHelp.Bind(wx.EVT_BUTTON, self._onSmearHelp)
+
+ # textcntrl for custom resolution
+ self.smear_pinhole_percent = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH - 25, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=
+ self.onPinholeSmear)
+ self.smear_slit_height = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH - 25, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self.onSlitSmear)
+ self.smear_slit_width = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH - 25, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self.onSlitSmear)
+
+ # smear
+ self.smear_data_left = BGTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH - 25, 20), style=0)
+ self.smear_data_left.SetValue(str(self.dq_l))
+ self.smear_data_right = BGTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH - 25, 20), style=0)
+ self.smear_data_right.SetValue(str(self.dq_r))
+
+ # set default values for smear
+ self.smear_pinhole_percent.SetValue(str(self.dx_percent))
+ self.smear_slit_height.SetValue(str(self.dxl))
+ self.smear_slit_width.SetValue(str(self.dxw))
+
+ # Filling the sizer containing instruments smearing info.
+ self.disable_smearer = wx.RadioButton(self, wx.ID_ANY,
+ 'None', style=wx.RB_GROUP)
+ self.enable_smearer = wx.RadioButton(self, wx.ID_ANY, 'Use dQ Data')
+ # self.enable_smearer.SetToolTipString(
+ # "Click to use the loaded dQ data for smearing.")
+ self.pinhole_smearer = wx.RadioButton(self, wx.ID_ANY,
+ 'Custom Pinhole Smear')
+ # self.pinhole_smearer.SetToolTipString
+ # ("Click to input custom resolution for pinhole smearing.")
+ self.slit_smearer = wx.RadioButton(self, wx.ID_ANY, 'Custom Slit Smear')
+ # self.slit_smearer.SetToolTipString
+ # ("Click to input custom resolution for slit smearing.")
+ self.Bind(wx.EVT_RADIOBUTTON, self.onSmear,
+ id=self.disable_smearer.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.onSmear,
+ id=self.enable_smearer.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.onPinholeSmear,
+ id=self.pinhole_smearer.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self.onSlitSmear,
+ id=self.slit_smearer.GetId())
+ self.disable_smearer.SetValue(True)
+
+ sizer_smearer.Add(self.disable_smearer, 0, wx.LEFT, 10)
+ sizer_smearer.Add(self.enable_smearer)
+ sizer_smearer.Add(self.pinhole_smearer)
+ sizer_smearer.Add(self.slit_smearer)
+ sizer_smearer.Add(self.btSmearHelp)
+ sizer_smearer.Add((10, 10))
+
+ # StaticText for chi2, N(for fitting), Npts + Log/linear spacing
+ self.tcChi = BGTextCtrl(self, wx.ID_ANY, "-", size=(75, 20), style=0)
+ self.tcChi.SetToolTipString("Chi2/Npts(Fit)")
+ self.Npts_fit = BGTextCtrl(self, wx.ID_ANY, "-", size=(75, 20), style=0)
+ self.Npts_fit.SetToolTipString(
+ " Npts : number of points selected for fitting")
+ self.Npts_total = ModelTextCtrl(self, wx.ID_ANY, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onQrangeEnter)
+ self.Npts_total.SetValue(format_number(self.npts_x))
+ self.Npts_total.SetToolTipString(
+ " Total Npts : total number of data points")
+
+ # Update and Draw button
+ self.draw_button = wx.Button(self, self._ids.next(), 'Compute')
+ self.draw_button.Bind(wx.EVT_BUTTON,
+ self._onDraw, id=self.draw_button.GetId())
+ self.draw_button.SetToolTipString("Compute and Draw.")
+
+ self.points_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.pointsbox = wx.CheckBox(self, wx.ID_ANY, 'Log?', (10, 10))
+ self.pointsbox.SetValue(False)
+ self.pointsbox.SetToolTipString("Check mark to use log spaced points")
+ wx.EVT_CHECKBOX(self, self.pointsbox.GetId(), self.select_log)
+
+ self.points_sizer.Add(wx.StaticText(self, wx.ID_ANY, 'Npts '))
+ self.points_sizer.Add(self.pointsbox)
+
+ box_description_1 = wx.StaticText(self, wx.ID_ANY, ' Chi2/Npts')
+ box_description_2 = wx.StaticText(self, wx.ID_ANY, 'Npts(Fit)')
+
+ # StaticText for smear
+ self.smear_description_none = wx.StaticText(self, wx.ID_ANY,
+ smear_message_none, style=wx.ALIGN_LEFT)
+ self.smear_description_dqdata = wx.StaticText(self, wx.ID_ANY,
+ smear_message_dqdata, style=wx.ALIGN_LEFT)
+ self.smear_description_type = wx.StaticText(self, wx.ID_ANY,
+ "Type:", style=wx.ALIGN_LEFT)
+ self.smear_description_accuracy_type = wx.StaticText(self, wx.ID_ANY,
+ "Accuracy:", style=wx.ALIGN_LEFT)
+ self.smear_description_smear_type = BGTextCtrl(self, wx.ID_ANY,
+ size=(57, 20), style=0)
+ self.smear_description_smear_type.SetValue(str(self.dq_l))
+ self.SetBackgroundColour(self.GetParent().GetBackgroundColour())
+ self.smear_description_2d = wx.StaticText(self, wx.ID_ANY,
+ smear_message_2d, style=wx.ALIGN_LEFT)
+ self.smear_message_new_s = wx.StaticText(self, wx.ID_ANY,
+ smear_message_new_ssmear, style=wx.ALIGN_LEFT)
+ self.smear_message_new_p = wx.StaticText(self, wx.ID_ANY,
+ smear_message_new_psmear, style=wx.ALIGN_LEFT)
+ self.smear_description_2d_x = wx.StaticText(self, wx.ID_ANY,
+ smear_message_2d_x_title, style=wx.ALIGN_LEFT)
+ self.smear_description_2d_x.SetToolTipString(
+ " dQp(parallel) in q_r direction.")
+ self.smear_description_2d_y = wx.StaticText(self, wx.ID_ANY,
+ smear_message_2d_y_title, style=wx.ALIGN_LEFT)
+ self.smear_description_2d_y.SetToolTipString(
+ " dQs(perpendicular) in q_phi direction.")
+ self.smear_description_pin_percent = wx.StaticText(self, wx.ID_ANY,
+ smear_message_pinhole_percent_title,
+ style=wx.ALIGN_LEFT)
+ self.smear_description_slit_height = wx.StaticText(self, wx.ID_ANY,
+ smear_message_slit_height_title, style=wx.ALIGN_LEFT)
+ self.smear_description_slit_width = wx.StaticText(self, wx.ID_ANY,
+ smear_message_slit_width_title, style=wx.ALIGN_LEFT)
+
+ # arrange sizers
+ self.sizer_set_smearer.Add(sizer_smearer)
+ self.sizer_set_smearer.Add((10, 10))
+ self.sizer_set_smearer.Add(self.smear_description_none,
+ 0, wx.CENTER, 10)
+ self.sizer_set_smearer.Add(self.smear_description_dqdata,
+ 0, wx.CENTER, 10)
+ self.sizer_set_smearer.Add(self.smear_description_2d,
+ 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_description_type,
+ 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_description_accuracy_type,
+ 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_accuracy)
+ self.sizer_new_smear.Add(self.smear_description_smear_type,
+ 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add((15, -1))
+ self.sizer_new_smear.Add(self.smear_description_2d_x, 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_description_slit_height,
+ 0, wx.CENTER, 10)
+
+ self.sizer_new_smear.Add(self.smear_slit_height, 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_data_left, 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add((20, -1))
+ self.sizer_new_smear.Add(self.smear_description_2d_y,
+ 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_description_pin_percent,
+ 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_description_slit_width,
+ 0, wx.CENTER, 10)
+
+ self.sizer_new_smear.Add(self.smear_pinhole_percent, 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_slit_width, 0, wx.CENTER, 10)
+ self.sizer_new_smear.Add(self.smear_data_right, 0, wx.CENTER, 10)
+
+ self.sizer_set_smearer.Add(self.smear_message_new_s, 0, wx.CENTER, 10)
+ self.sizer_set_smearer.Add(self.smear_message_new_p, 0, wx.CENTER, 10)
+ self.sizer_set_smearer.Add((5, 2))
+ self.sizer_set_smearer.Add(self.sizer_new_smear, 0, wx.CENTER, 10)
+
+ # add all to chi2 sizer
+ sizer_smearer_box.Add(self.sizer_set_smearer)
+ sizer_chi2.Add(sizer_smearer_box)
+ sizer_chi2.Add((-1, 5))
+ sizer_chi2.Add(weighting_box)
+ sizer_chi2.Add((-1, 5))
+
+ # hide all smear messages and textctrl
+ self._hide_all_smear_info()
+
+ # get smear_selection
+ self.current_smearer = smear_selection(self.data, self.model)
+
+ # Show only the relevant smear messages, etc
+ if self.current_smearer is None:
+ if not is_2d_data:
+ self.smear_description_none.Show(True)
+ self.enable_smearer.Disable()
+ else:
+ self.smear_description_none.Show(True)
+ self.slit_smearer.Disable()
+ if self.data is None:
+ self.slit_smearer.Disable()
+ self.pinhole_smearer.Disable()
+ self.enable_smearer.Disable()
+ else:
+ self._show_smear_sizer()
+ boxsizer_range.Add(self.sizer_set_masking)
+ # 2D data? default
+ is_2d_data = False
+
+ # check if it is 2D data
+ if self.data.__class__.__name__ == "Data2D" or self.enable2D:
+ is_2d_data = True
+
+ self.sizer5.Clear(True)
+
+ self.qmin = ModelTextCtrl(self, wx.ID_ANY, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER,
+ set_focus_callback=self.qrang_set_focus,
+ text_enter_callback=self._onQrangeEnter,
+ name='qmin')
+ self.qmin.SetValue(str(self.qmin_x))
+ q_tip = "Click outside of the axes\n to remove the lines."
+ qmin_tip = "Minimun value of Q.\n"
+ qmin_tip += q_tip
+ self.qmin.SetToolTipString(qmin_tip)
+
+ self.qmax = ModelTextCtrl(self, wx.ID_ANY, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER,
+ set_focus_callback=self.qrang_set_focus,
+ text_enter_callback=self._onQrangeEnter,
+ name='qmax')
+ self.qmax.SetValue(str(self.qmax_x))
+ qmax_tip = "Maximum value of Q.\n"
+ qmax_tip += q_tip
+ self.qmax.SetToolTipString(qmax_tip)
+ self.qmin.Bind(wx.EVT_MOUSE_EVENTS, self.qrange_click)
+ self.qmax.Bind(wx.EVT_MOUSE_EVENTS, self.qrange_click)
+ self.qmin.Bind(wx.EVT_KEY_DOWN, self.on_key)
+ self.qmax.Bind(wx.EVT_KEY_DOWN, self.on_key)
+ self.qmin.Bind(wx.EVT_TEXT, self.on_qrange_text)
+ self.qmax.Bind(wx.EVT_TEXT, self.on_qrange_text)
+ wx_id = self._ids.next()
+ self.reset_qrange = wx.Button(self, wx_id, 'Reset')
+
+ self.reset_qrange.Bind(wx.EVT_BUTTON, self.on_reset_clicked, id=wx_id)
+ self.reset_qrange.SetToolTipString("Reset Q range to the default")
+
+ sizer = wx.GridSizer(5, 5, 2, 6)
+
+ self.btEditMask = wx.Button(self, self._ids.next(), 'Editor')
+ self.btEditMask.Bind(wx.EVT_BUTTON, self._onMask,
+ id=self.btEditMask.GetId())
+ self.btEditMask.SetToolTipString("Edit Mask.")
+ self.EditMask_title = wx.StaticText(self, wx.ID_ANY, ' Masking(2D)')
+
+ sizer.Add(wx.StaticText(self, wx.ID_ANY, ' Q range'))
+ sizer.Add(wx.StaticText(self, wx.ID_ANY, ' Min[1/A]'))
+ sizer.Add(wx.StaticText(self, wx.ID_ANY, ' Max[1/A]'))
+ sizer.Add(self.EditMask_title)
+ sizer.Add((-1, 5))
+
+ sizer.Add(self.reset_qrange)
+ sizer.Add(self.qmin)
+ sizer.Add(self.qmax)
+ sizer.Add(self.btEditMask)
+ sizer.Add((-1, 5))
+
+ sizer.AddMany(5*[(-1, 5)])
+
+ sizer.Add(box_description_1, 0, 0)
+ sizer.Add(box_description_2, 0, 0)
+ sizer.Add(self.points_sizer, 0, 0)
+ sizer.Add(self.draw_button, 0, 0)
+ sizer.Add((-1, 5))
+
+ sizer.Add(self.tcChi, 0, 0)
+ sizer.Add(self.Npts_fit, 0, 0)
+ sizer.Add(self.Npts_total, 0, 0)
+ sizer.Add(self.btFit, 0, 0)
+ sizer.Add(self.btFitHelp, 0, 0)
+
+ boxsizer_range.Add(sizer_chi2)
+ boxsizer_range.Add(sizer)
+ if is_2d_data:
+ self.btEditMask.Enable()
+ self.EditMask_title.Enable()
+ else:
+ self.btEditMask.Disable()
+ self.EditMask_title.Disable()
+ # save state
+ self.save_current_state()
+ self.sizer5.Add(boxsizer_range, 0, wx.EXPAND | wx.ALL, 10)
+ self.sizer5.Layout()
+
+ def _set_sizer_dispersion(self):
+ """
+ draw sizer with gaussian dispersity parameters
+ """
+ self.fittable_param = []
+ self.fixed_param = []
+ self.orientation_params_disp = []
+
+ self.sizer4_4.Clear(True)
+ if self.model is None:
+ # no model is selected
+ return
+ if not self.enable_disp.GetValue():
+ # the user didn't select dispersity display
+ return
+
+ self._reset_dispersity()
+
+ # fill a sizer with the combobox to select dispersion type
+ model_disp = wx.StaticText(self, wx.ID_ANY, 'Function')
+ CHECK_STATE = False
+
+ ix = 0
+ iy = 0
+ disp = wx.StaticText(self, wx.ID_ANY, ' ')
+ self.sizer4_4.Add(disp, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ values = wx.StaticText(self, wx.ID_ANY, 'PD[ratio]')
+ polytext = "Polydispersity (= STD/mean); "
+ polytext += "the standard deviation over the mean value."
+ values.SetToolTipString(polytext)
+
+ self.sizer4_4.Add(values, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ if self.is_mac:
+ err_text = 'Error'
+ else:
+ err_text = ''
+ self.text_disp_1 = wx.StaticText(self, wx.ID_ANY, err_text)
+ self.sizer4_4.Add(self.text_disp_1, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ self.text_disp_min = wx.StaticText(self, wx.ID_ANY, 'Min')
+ self.sizer4_4.Add(self.text_disp_min, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ self.text_disp_max = wx.StaticText(self, wx.ID_ANY, 'Max')
+ self.sizer4_4.Add(self.text_disp_max, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ npts = wx.StaticText(self, wx.ID_ANY, 'Npts')
+ npts.SetToolTipString("Number of sampling points for the numerical\n\
+ integration over the distribution function.")
+ self.sizer4_4.Add(npts, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ nsigmas = wx.StaticText(self, wx.ID_ANY, 'Nsigs')
+ nsigmas.SetToolTipString("Number of sigmas between which the range\n\
+ of the distribution function will be used for weighting. \n\
+ The value '3' covers 99.5% for Gaussian distribution \n\
+ function. Note: Not recommended to change this value.")
+ self.sizer4_4.Add(nsigmas, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.sizer4_4.Add(model_disp, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ self.text_disp_max.Show(True)
+ self.text_disp_min.Show(True)
+
+ for item in self.model.dispersion.keys():
+ if not self.magnetic_on:
+ if item in self.model.magnetic_params:
+ continue
+ if item not in self.model.orientation_params:
+ if item not in self.disp_cb_dict:
+ self.disp_cb_dict[item] = None
+ name0 = "Distribution of " + item
+ name1 = item + ".width"
+ name2 = item + ".npts"
+ name3 = item + ".nsigmas"
+ if name1 not in self.model.details:
+ self.model.details[name1] = ["", None, None]
+
+ iy += 1
+ for p in self.model.dispersion[item].keys():
+
+ if p == "width":
+ ix = 0
+ cb = wx.CheckBox(self, wx.ID_ANY, name0, (10, 10))
+ cb.SetValue(CHECK_STATE)
+ cb.SetToolTipString("Check mark to fit")
+ wx.EVT_CHECKBOX(self, cb.GetId(), self.select_param)
+ self.sizer4_4.Add(cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+ ix = 1
+ value = self.model.getParam(name1)
+ ctl1 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.3, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ctl1.SetLabel('PD[ratio]')
+ poly_text = "Polydispersity (STD/mean) of %s\n" % item
+ poly_text += "STD: the standard deviation"
+ poly_text += " from the mean value."
+ ctl1.SetToolTipString(poly_text)
+ ctl1.SetValue(str(format_number(value, True)))
+ self.sizer4_4.Add(ctl1, (iy, ix), (1, 1), wx.EXPAND)
+ # text to show error sign
+ ix = 2
+ text2 = wx.StaticText(self, wx.ID_ANY, '+/-')
+ self.sizer4_4.Add(text2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if not self.is_mac:
+ text2.Hide()
+
+ ix = 3
+ ctl2 = wx.TextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.3, 20),
+ style=0)
+
+ self.sizer4_4.Add(ctl2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if not self.is_mac:
+ ctl2.Hide()
+
+ ix = 4
+ ctl3 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+
+ self.sizer4_4.Add(ctl3, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix = 5
+ ctl4 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+
+ self.sizer4_4.Add(ctl4, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ctl3.Show(True)
+ ctl4.Show(True)
+
+ elif p == "npts":
+ ix = 6
+ value = self.model.getParam(name2)
+ Tctl = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2.2, 20),
+ style=wx.TE_PROCESS_ENTER)
+
+ Tctl.SetValue(str(format_number(value)))
+ self.sizer4_4.Add(Tctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.fixed_param.append([None, name2, Tctl, None, None,
+ None, None, None])
+ elif p == "nsigmas":
+ ix = 7
+ value = self.model.getParam(name3)
+ Tct2 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2.2, 20),
+ style=wx.TE_PROCESS_ENTER)
+
+ Tct2.SetValue(str(format_number(value)))
+ self.sizer4_4.Add(Tct2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.fixed_param.append([None, name3, Tct2,
+ None, None, None,
+ None, None])
+
+ ix = 8
+ disp_box = wx.ComboBox(self, wx.ID_ANY, size=(65, -1),
+ style=wx.CB_READONLY, name='%s' % name1)
+ for key, value in POLYDISPERSITY_MODELS.iteritems():
+ name_disp = str(key)
+ disp_box.Append(name_disp, value)
+ disp_box.SetStringSelection("gaussian")
+ wx.EVT_COMBOBOX(disp_box, wx.ID_ANY, self._on_disp_func)
+ self.sizer4_4.Add(disp_box, (iy, ix), (1, 1), wx.EXPAND)
+ self.fittable_param.append([cb, name1, ctl1, text2,
+ ctl2, ctl3, ctl4, disp_box])
+
+ ix = 0
+ iy += 1
+ self.sizer4_4.Add((20, 20), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ first_orient = True
+ for item in self.model.dispersion.keys():
+ if not self.magnetic_on:
+ if item in self.model.magnetic_params:
+ continue
+ if item in self.model.orientation_params:
+ if item not in self.disp_cb_dict:
+ self.disp_cb_dict[item] = None
+ name0 = "Distribution of " + item
+ name1 = item + ".width"
+ name2 = item + ".npts"
+ name3 = item + ".nsigmas"
+
+ if name1 not in self.model.details:
+ self.model.details[name1] = ["", None, None]
+
+ iy += 1
+ for p in self.model.dispersion[item].keys():
+
+ if p == "width":
+ ix = 0
+ cb = wx.CheckBox(self, wx.ID_ANY, name0, (10, 10))
+ cb.SetValue(CHECK_STATE)
+ cb.SetToolTipString("Check mark to fit")
+ wx.EVT_CHECKBOX(self, cb.GetId(), self.select_param)
+ self.sizer4_4.Add(cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ cb.Show(True)
+ elif cb.IsShown():
+ cb.Hide()
+ ix = 1
+ value = self.model.getParam(name1)
+ ctl1 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.3, 20),
+ style=wx.TE_PROCESS_ENTER)
+ poly_tip = "Absolute Sigma for %s." % item
+ ctl1.SetToolTipString(poly_tip)
+ ctl1.SetValue(str(format_number(value, True)))
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ if first_orient:
+ values.SetLabel('PD[ratio], Sig[deg]')
+ poly_text = "PD(polydispersity for lengths):\n"
+ poly_text += "It should be a value between"
+ poly_text += "0 and 1\n"
+ poly_text += "Sigma for angles: \n"
+ poly_text += "It is the STD (ratio*mean)"
+ poly_text += " of the distribution.\n "
+
+ values.SetToolTipString(poly_text)
+ first_orient = False
+ ctl1.Show(True)
+ elif ctl1.IsShown():
+ ctl1.Hide()
+
+ self.sizer4_4.Add(ctl1, (iy, ix), (1, 1), wx.EXPAND)
+ # text to show error sign
+ ix = 2
+ text2 = wx.StaticText(self, wx.ID_ANY, '+/-')
+ self.sizer4_4.Add(text2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ text2.Hide()
+
+ ix = 3
+ ctl2 = wx.TextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.3, 20),
+ style=0)
+
+ self.sizer4_4.Add(ctl2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ctl2.Hide()
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ if self.is_mac:
+ text2.Show(True)
+ ctl2.Show(True)
+
+ ix = 4
+ ctl3 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+
+ self.sizer4_4.Add(ctl3, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ctl3.Hide()
+
+ ix = 5
+ ctl4 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+ self.sizer4_4.Add(ctl4, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ctl4.Hide()
+
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ ctl3.Show(True)
+ ctl4.Show(True)
+
+ elif p == "npts":
+ ix = 6
+ value = self.model.getParam(name2)
+ Tctl = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2.2, 20),
+ style=wx.TE_PROCESS_ENTER)
+
+ Tctl.SetValue(str(format_number(value)))
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ Tctl.Show(True)
+ else:
+ Tctl.Hide()
+ self.sizer4_4.Add(Tctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.fixed_param.append([None, name2, Tctl, None, None,
+ None, None, None])
+ self.orientation_params_disp.append([None, name2,
+ Tctl, None, None,
+ None, None, None])
+ elif p == "nsigmas":
+ ix = 7
+ value = self.model.getParam(name3)
+ Tct2 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 2.2, 20),
+ style=wx.TE_PROCESS_ENTER)
+
+ Tct2.SetValue(str(format_number(value)))
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ Tct2.Show(True)
+ else:
+ Tct2.Hide()
+ self.sizer4_4.Add(Tct2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ self.fixed_param.append([None, name3, Tct2,
+ None, None, None, None, None])
+
+ self.orientation_params_disp.append([None, name3,
+ Tct2, None, None, None, None, None])
+
+ ix = 8
+ disp_box = wx.ComboBox(self, wx.ID_ANY, size=(65, -1),
+ style=wx.CB_READONLY, name='%s' % name1)
+ for key, value in POLYDISPERSITY_MODELS.iteritems():
+ name_disp = str(key)
+ disp_box.Append(name_disp, value)
+ disp_box.SetStringSelection("gaussian")
+ wx.EVT_COMBOBOX(disp_box, wx.ID_ANY, self._on_disp_func)
+ self.sizer4_4.Add(disp_box, (iy, ix), (1, 1), wx.EXPAND)
+ self.fittable_param.append([cb, name1, ctl1, text2,
+ ctl2, ctl3, ctl4, disp_box])
+ self.orientation_params_disp.append([cb, name1, ctl1,
+ text2, ctl2, ctl3, ctl4, disp_box])
+
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ disp_box.Show(True)
+ else:
+ disp_box.Hide()
+
+ self.state.disp_cb_dict = copy.deepcopy(self.disp_cb_dict)
+
+ self.state.model = self.model.clone()
+ # save state into
+ self._copy_parameters_state(self.parameters, self.state.parameters)
+ self._copy_parameters_state(self.orientation_params_disp,
+ self.state.orientation_params_disp)
+ self._copy_parameters_state(self.fittable_param,
+ self.state.fittable_param)
+ self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
+
+ wx.PostEvent(self.parent,
+ StatusEvent(status=" Selected Distribution: Gaussian"))
+ # Fill the list of fittable parameters
+ self.get_all_checked_params()
+ self.Layout()
+
+ def _onDraw(self, event):
+ """
+ Update and Draw the model
+ """
+ if self.model is None:
+ msg = "Please select a Model first..."
+ wx.MessageBox(msg, 'Info')
+ return
+ """
+ if not self.data.is_data:
+ self.npts_x = self.Npts_total.GetValue()
+ self.Npts_fit.SetValue(self.npts_x)
+ self.create_default_data()
+ """
+ flag, is_modified = self._update_paramv_on_fit()
+
+ wx.CallAfter(self._onparamEnter_helper, is_modified)
+ if not flag:
+ msg = "The parameters are invalid"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return
+
+ def _onFit(self, event):
+ """
+ Allow to fit
+ """
+ if event is not None:
+ event.Skip()
+ if self.fit_started:
+ self._StopFit()
+ self.fit_started = False
+ wx.CallAfter(self.set_fitbutton)
+ return
+
+ if self.data is None:
+ msg = "Please get Data first..."
+ wx.MessageBox(msg, 'Info')
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status="Fit: %s" % msg))
+ return
+ if self.model is None:
+ msg = "Please select a Model first..."
+ wx.MessageBox(msg, 'Info')
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status="Fit: %s" % msg, type="stop"))
+ return
+
+ if len(self.param_toFit) <= 0:
+ msg = "Select at least one parameter to fit"
+ wx.MessageBox(msg, 'Info')
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, type="stop"))
+ return
+
+ flag = self._update_paramv_on_fit()
+
+ if self.batch_on and not self._is_2D():
+ if not self._validate_Npts_1D():
+ return
+
+ if not flag:
+ msg = "Fitting range or parameters are invalid"
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, type="stop"))
+ return
+
+ self.select_param()
+
+ # Remove or do not allow fitting on the Q=0 point, especially
+ # when y(q=0)=None at x[0].
+ self.qmin_x = float(self.qmin.GetValue())
+ self.qmax_x = float(self.qmax.GetValue())
+ self._manager._reset_schedule_problem(value=0, uid=self.uid)
+ self._manager.schedule_for_fit(uid=self.uid, value=1)
+ self._manager.set_fit_range(uid=self.uid, qmin=self.qmin_x,
+ qmax=self.qmax_x)
+
+ # single fit
+ # self._manager.onFit(uid=self.uid)
+ self.fit_started = self._manager.onFit(uid=self.uid)
+ wx.CallAfter(self.set_fitbutton)
+
+ def _onFitHelp(self, event):
+ """
+ Bring up the Full Fitting Documentation whenever the HELP button is
+ clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ web browser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/fitting_help.html"
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation, "",
+ "General Fitting Help")
+
+ def _onSmearHelp(self, event):
+ """
+ Bring up the instrumental resolution smearing Documentation whenever
+ the ? button in the smearing box is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ web browser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/fitting/sm_help.html"
+ _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation, "",
+ "Instrumental Resolution Smearing \
+ Help")
+
+ def set_fitbutton(self):
+ """
+ Set fit button label depending on the fit_started[bool]
+ """
+ # Skip this feature if we are not on Windows
+ # NOTE: the is_mac data member actually means "is no Windows".
+ if self.is_mac:
+ return
+
+ if self.fit_started:
+ label = "Stop"
+ color = "red"
+ else:
+ label = "Fit"
+ color = "black"
+ # self.btFit.Enable(False)
+ self.btFit.SetLabel(label)
+ self.btFit.SetForegroundColour(color)
+ self.btFit.Enable(True)
+
+ def get_weight_flag(self):
+ """
+ Get flag corresponding to a given weighting dI data.
+ """
+ button_list = [self.dI_noweight,
+ self.dI_didata,
+ self.dI_sqrdata,
+ self.dI_idata]
+ flag = 1
+ for item in button_list:
+ if item.GetValue():
+ if button_list.index(item) == 0:
+ flag = 0 # dy = numpy.ones_like(dy_data)
+ elif button_list.index(item) == 1:
+ flag = 1 # dy = dy_data
+ elif button_list.index(item) == 2:
+ flag = 2 # dy = numpy.sqrt(numpy.abs(data))
+ elif button_list.index(item) == 3:
+ flag = 3 # dy = numpy.abs(data)
+ break
+ return flag
+
+ def _StopFit(self, event=None):
+ """
+ Stop fit
+ """
+ if event is not None:
+ event.Skip()
+ self._manager.stop_fit(self.uid)
+ self._manager._reset_schedule_problem(value=0)
+ self._on_fit_complete()
+
+ def rename_model(self):
+ """
+ find a short name for model
+ """
+ if self.model is not None:
+ self.model.name = "M" + str(self.index_model)
+
+ def _on_select_model(self, event=None):
+ """
+ call back for model selection
+ """
+ self.Show(False)
+ copy_flag = False
+ is_poly_enabled = None
+ if event is not None:
+ if (event.GetEventObject() == self.formfactorbox
+ and self.structurebox.GetLabel() != 'None')\
+ or event.GetEventObject() == self.structurebox\
+ or event.GetEventObject() == self.multifactorbox:
+ copy_flag = self.get_copy_params()
+ is_poly_enabled = self.enable_disp.GetValue()
+
+ self._on_select_model_helper()
+ self.set_model_param_sizer(self.model)
+ if self.model is None:
+ self._set_bookmark_flag(False)
+ self._keep.Enable(False)
+ self._set_save_flag(False)
+ self.enable_disp.SetValue(False)
+ self.disable_disp.SetValue(True)
+ # TODO: should not have an untrapped exception when displaying disperser
+ # TODO: do we need to create the disperser panel on every model change?
+ # Note: if we fix this, then remove ID_DISPERSER_HELP from basepage
+ try:
+ self.set_dispers_sizer()
+ except:
+ pass
+ self.state.enable_disp = self.enable_disp.GetValue()
+ self.state.disable_disp = self.disable_disp.GetValue()
+ self.state.pinhole_smearer = self.pinhole_smearer.GetValue()
+ self.state.slit_smearer = self.slit_smearer.GetValue()
+
+ self.state.structurecombobox = self.structurebox.GetValue()
+ self.state.formfactorcombobox = self.formfactorbox.GetValue()
+ self.state.categorycombobox = self.categorybox.GetValue()
+ self.enable_fit_button()
+ if self.model is not None:
+ self.m_name = self.model.name
+ self.state.m_name = self.m_name
+ self.rename_model()
+ self._set_copy_flag(True)
+ self._set_paste_flag(True)
+ if self.data is not None:
+ is_data = check_data_validity(self.data)
+ if is_data:
+ self._set_bookmark_flag(not self.batch_on)
+ self._keep.Enable(not self.batch_on)
+ self._set_save_flag(True)
+ #Setting smearing for cases with and without data.
+ self._set_smear(self.data)
+
+ # more disables for 2D
+ self._set_smear_buttons()
+
+ try:
+ # update smearer sizer
+ #This call for smearing set up caused double evaluation of
+ #I(q) and double compilation as results
+ #self.onSmear(None)
+ temp_smear = None
+ if not self.disable_smearer.GetValue():
+ # Set the smearer environments
+ temp_smear = self.current_smearer
+ except:
+ raise
+ # error occured on chisqr computation
+ # pass
+ # event to post model to fit to fitting plugins
+ (ModelEventbox, EVT_MODEL_BOX) = wx.lib.newevent.NewEvent()
+
+ # set smearing value whether or not data contain the smearing info
+ evt = ModelEventbox(model=self.model,
+ smearer=temp_smear,
+ enable_smearer=not self.disable_smearer.GetValue(),
+ qmin=float(self.qmin_x),
+ uid=self.uid,
+ caption=self.window_caption,
+ qmax=float(self.qmax_x))
+
+ self._manager._on_model_panel(evt=evt)
+ self.mbox_description.SetLabel("Model [ %s ]" %
+ str(self.model.name))
+ self.mbox_description.SetForegroundColour(wx.BLUE)
+ self.state.model = self.model.clone()
+ self.state.model.name = self.model.name
+
+ if event is not None:
+ # post state to fit panel
+ new_event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, new_event)
+ # update list of plugins if new plugin is available
+ mod_cat = self.categorybox.GetStringSelection()
+ if mod_cat == CUSTOM_MODEL:
+ temp_id = self.model.id
+ temp = self.parent.update_model_list()
+ for v in self.parent.model_dictionary.values():
+ if v.id == temp_id:
+ self.model = v()
+ break
+ if temp:
+ self.model_list_box = temp
+ current_val = self.formfactorbox.GetLabel()
+ pos = self.formfactorbox.GetSelection()
+ self._show_combox_helper()
+ self.formfactorbox.SetSelection(pos)
+ self.formfactorbox.SetValue(current_val)
+ # when select a model only from guictr/button
+ if is_poly_enabled is not None:
+ self.enable_disp.SetValue(is_poly_enabled)
+ self.disable_disp.SetValue(not is_poly_enabled)
+ self._set_dipers_Param(event=None)
+ self.state.enable_disp = self.enable_disp.GetValue()
+ self.state.disable_disp = self.disable_disp.GetValue()
+
+ # Keep the previous param values
+ if copy_flag:
+ self.get_paste_params(copy_flag)
+ wx.CallAfter(self._onDraw, None)
+
+ else:
+ self._draw_model()
+
+ if self.batch_on:
+ self.slit_smearer.Enable(False)
+ self.pinhole_smearer.Enable(False)
+ self.btEditMask.Disable()
+ self.EditMask_title.Disable()
+
+ self.Show(True)
+ self.SetupScrolling()
+
+ def _onparamEnter(self, event):
+ """
+ when enter value on panel redraw model according to changed
+ """
+ if self.model is None:
+ msg = "Please select a Model first..."
+ wx.MessageBox(msg, 'Info')
+ return
+
+ # default flag
+ flag = False
+ self.fitrange = True
+ # get event object
+ tcrtl = event.GetEventObject()
+ # Clear msg if previously shown.
+ msg = ""
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+
+ if check_float(tcrtl):
+ flag = self._onparamEnter_helper()
+ self.show_npts2fit()
+ if self.fitrange:
+ temp_smearer = None
+ if not self.disable_smearer.GetValue():
+ temp_smearer = self.current_smearer
+ # set smearing value whether or not data contain the
+ # smearing info
+ if self.slit_smearer.GetValue():
+ flag1 = self.update_slit_smear()
+ flag = flag or flag1
+ elif self.pinhole_smearer.GetValue():
+ flag1 = self.update_pinhole_smear()
+ flag = flag or flag1
+ elif self.data.__class__.__name__ != "Data2D" and \
+ not self.enable2D:
+ enable_smearer = not self.disable_smearer.GetValue()
+ self._manager.set_smearer(smearer=temp_smearer,
+ fid=self.data.id,
+ uid=self.uid,
+ qmin=float(self.qmin_x),
+ qmax=float(self.qmax_x),
+ enable_smearer=enable_smearer)
+ if flag:
+ # self.compute_chisqr(smearer= temp_smearer)
+
+ # new state posted
+ if self.state_change:
+ # self._undo.Enable(True)
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ self.state_change = False
+ else:
+ # invalid fit range: do nothing here:
+ # msg already displayed in validate
+ return
+ else:
+ self.save_current_state()
+ msg = "Cannot Plot: Must enter a number!!! "
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+
+ self.save_current_state()
+ return
+
+ def _onparamRangeEnter(self, event):
+ """
+ Check validity of value enter in the parameters range field
+ """
+ tcrtl = event.GetEventObject()
+ # Clear msg if previously shown.
+ msg = ""
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ # Flag to register when a parameter has changed.
+ is_modified = False
+ if tcrtl.GetValue().lstrip().rstrip() != "":
+ try:
+ tcrtl.SetBackgroundColour(wx.WHITE)
+ self._check_value_enter(self.fittable_param)
+ self._check_value_enter(self.parameters)
+ except:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error:wrong value entered : %s" % sys.exc_value
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return
+ else:
+ tcrtl.SetBackgroundColour(wx.WHITE)
+
+ # self._undo.Enable(True)
+ self.save_current_state()
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ self.state_change = False
+
+ def qrang_set_focus(self, event=None):
+ """
+ ON Qrange focus
+ """
+ if event is not None:
+ event.Skip()
+ # tcrtl = event.GetEventObject()
+ self._validate_qrange(self.qmin, self.qmax)
+
+ def qrange_click(self, event):
+ """
+ On Qrange textctrl click, make the qrange lines in the plot
+ """
+ if event is not None:
+ event.Skip()
+ if self.data.__class__.__name__ == "Data2D":
+ return
+ is_click = event.LeftDown()
+ if is_click:
+ d_id = self.data.id
+ d_group_id = self.data.group_id
+ act_ctrl = event.GetEventObject()
+ wx.PostEvent(self._manager.parent,
+ PlotQrangeEvent(ctrl=[self.qmin, self.qmax], id=d_id,
+ group_id=d_group_id, leftdown=is_click,
+ active=act_ctrl))
+
+ def on_qrange_text(self, event):
+ """
+ #On q range value updated. DO not combine with qrange_click().
+ """
+ if event is not None:
+ event.Skip()
+ if self.data.__class__.__name__ == "Data2D":
+ return
+ act_ctrl = event.GetEventObject()
+ d_id = self.data.id
+ d_group_id = self.data.group_id
+ wx.PostEvent(self._manager.parent,
+ PlotQrangeEvent(ctrl=[self.qmin, self.qmax], id=d_id,
+ group_id=d_group_id, leftdown=False,
+ active=act_ctrl))
+ self._validate_qrange(self.qmin, self.qmax)
+
+ def on_key(self, event):
+ """
+ On Key down
+ """
+ event.Skip()
+ if self.data.__class__.__name__ == "Data2D":
+ return
+ ctrl = event.GetEventObject()
+ try:
+ x_data = float(ctrl.GetValue())
+ except:
+ return
+ key = event.GetKeyCode()
+ length = len(self.data.x)
+ indx = (numpy.abs(self.data.x - x_data)).argmin()
+ # return array.flat[idx]
+ if key == wx.WXK_PAGEUP or key == wx.WXK_NUMPAD_PAGEUP:
+ indx += 1
+ if indx >= length:
+ indx = length - 1
+ elif key == wx.WXK_PAGEDOWN or key == wx.WXK_NUMPAD_PAGEDOWN:
+ indx -= 1
+ if indx < 0:
+ indx = 0
+ else:
+ return
+ ctrl.SetValue(str(self.data.x[indx]))
+ self._validate_qrange(self.qmin, self.qmax)
+
+ def _onQrangeEnter(self, event):
+ """
+ Check validity of value enter in the Q range field
+ """
+ tcrtl = event.GetEventObject()
+ # Clear msg if previously shown.
+ msg = ""
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ # For theory mode
+ if not self.data.is_data:
+ self.npts_x = self.Npts_total.GetValue()
+ self.Npts_fit.SetValue(self.npts_x)
+ self.create_default_data()
+ # Flag to register when a parameter has changed.
+ if tcrtl.GetValue().lstrip().rstrip() != "":
+ try:
+ tcrtl.SetBackgroundColour(wx.WHITE)
+ # If qmin and qmax have been modified, update qmin and qmax
+ if self._validate_qrange(self.qmin, self.qmax):
+ tempmin = float(self.qmin.GetValue())
+ if tempmin != self.qmin_x:
+ self.qmin_x = tempmin
+ tempmax = float(self.qmax.GetValue())
+ if tempmax != self.qmax_x:
+ self.qmax_x = tempmax
+ else:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error:wrong value entered : %s" % sys.exc_value
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return
+ except:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error:wrong value entered : %s" % sys.exc_value
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ return
+ # Check if # of points for theory model are valid(>0).
+ # check for 2d
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ # set mask
+ radius = numpy.sqrt(self.data.qx_data * self.data.qx_data +
+ self.data.qy_data * self.data.qy_data)
+ index_data = ((self.qmin_x <= radius) & (radius <= self.qmax_x))
+ index_data = (index_data) & (self.data.mask)
+ index_data = (index_data) & (numpy.isfinite(self.data.data))
+ if len(index_data[index_data]) < 10:
+ msg = "Cannot Plot :No or too little npts in"
+ msg += " that data range!!! "
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg))
+ return
+ else:
+ # self.data.mask = index_data
+ # self.Npts_fit.SetValue(str(len(self.data.mask)))
+ self.show_npts2fit()
+ else:
+ index_data = ((self.qmin_x <= self.data.x) &
+ (self.data.x <= self.qmax_x))
+ self.Npts_fit.SetValue(str(len(self.data.x[index_data])))
+
+ self.npts_x = self.Npts_total.GetValue()
+ self.create_default_data()
+ self._save_plotting_range()
+ else:
+ tcrtl.SetBackgroundColour("pink")
+ msg = "Model Error:wrong value entered!!!"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+
+ self._draw_model()
+ self.save_current_state()
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ self.state_change = False
+ return
+
+ def _clear_Err_on_Fit(self):
+ """
+ hide the error text control shown
+ after fitting
+ """
+
+ if self.is_mac:
+ return
+ if hasattr(self, "text2_3"):
+ self.text2_3.Hide()
+
+ if len(self.parameters) > 0:
+ for item in self.parameters:
+ if item[0].IsShown():
+ # Skip the angle parameters if 1D data
+ if self.data.__class__.__name__ != "Data2D" and \
+ not self.enable2D:
+ if item in self.orientation_params:
+ continue
+ if item in self.param_toFit:
+ continue
+ # hide statictext +/-
+ if len(item) < 4:
+ continue
+ if item[3] is not None and item[3].IsShown():
+ item[3].Hide()
+ # hide textcrtl for error after fit
+ if item[4] is not None and item[4].IsShown():
+ item[4].Hide()
+
+ if len(self.fittable_param) > 0:
+ for item in self.fittable_param:
+ if item[0].IsShown():
+ # Skip the angle parameters if 1D data
+ if self.data.__class__.__name__ != "Data2D" and \
+ not self.enable2D:
+ if item in self.orientation_params:
+ continue
+ if item in self.param_toFit:
+ continue
+ if len(item) < 4:
+ continue
+ # hide statictext +/-
+ if item[3] is not None and item[3].IsShown():
+ item[3].Hide()
+ # hide textcrtl for error after fit
+ if item[4] is not None and item[4].IsShown():
+ item[4].Hide()
+ return
+
+ def _get_defult_custom_smear(self):
+ """
+ Get the defult values for custum smearing.
+ """
+ # get the default values
+ if self.dxl is None:
+ self.dxl = 0.0
+ if self.dxw is None:
+ self.dxw = ""
+ if self.dx_percent is None:
+ self.dx_percent = SMEAR_SIZE_H
+
+ def _get_smear_info(self):
+ """
+ Get the smear info from data.
+
+ :return: self.smear_type, self.dq_l and self.dq_r,
+ respectively the type of the smear, dq_min and
+ dq_max for pinhole smear data
+ while dxl and dxw for slit smear
+ """
+ # default
+ self.smear_type = None
+ self.dq_l = None
+ self.dq_r = None
+ data = self.data
+ if self.data is None:
+ return
+ elif self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ if data.dqx_data is None or data.dqy_data is None:
+ return
+ elif self.current_smearer is not None \
+ and data.dqx_data.any() != 0 \
+ and data.dqx_data.any() != 0:
+ self.smear_type = "Pinhole2d"
+ self.dq_l = format_number(numpy.average(data.dqx_data))
+ self.dq_r = format_number(numpy.average(data.dqy_data))
+ return
+ else:
+ return
+ # check if it is pinhole smear and get min max if it is.
+ if data.dx is not None and numpy.any(data.dx):
+ self.smear_type = "Pinhole"
+ self.dq_l = data.dx[0]
+ self.dq_r = data.dx[-1]
+
+ # check if it is slit smear and get min max if it is.
+ elif data.dxl is not None or data.dxw is not None:
+ self.smear_type = "Slit"
+ if data.dxl is not None and numpy.all(data.dxl, 0):
+ self.dq_l = data.dxl[0]
+ if data.dxw is not None and numpy.all(data.dxw, 0):
+ self.dq_r = data.dxw[0]
+ # return self.smear_type,self.dq_l,self.dq_r
+
+ def _show_smear_sizer(self):
+ """
+ Show only the sizers depending on smear selection
+ """
+ # smear disabled
+ if self.disable_smearer.GetValue():
+ self.smear_description_none.Show(True)
+ # 2Dsmear
+ elif self._is_2D():
+ self.smear_description_accuracy_type.Show(True)
+ self.smear_accuracy.Show(True)
+ self.smear_description_accuracy_type.Show(True)
+ self.smear_description_2d.Show(True)
+ self.smear_description_2d_x.Show(True)
+ self.smear_description_2d_y.Show(True)
+ if self.pinhole_smearer.GetValue():
+ self.smear_pinhole_percent.Show(True)
+ # smear from data
+ elif self.enable_smearer.GetValue():
+
+ self.smear_description_dqdata.Show(True)
+ if self.smear_type is not None:
+ self.smear_description_smear_type.Show(True)
+ if self.smear_type == 'Slit':
+ self.smear_description_slit_height.Show(True)
+ self.smear_description_slit_width.Show(True)
+ elif self.smear_type == 'Pinhole':
+ self.smear_description_pin_percent.Show(True)
+ self.smear_description_smear_type.Show(True)
+ self.smear_description_type.Show(True)
+ self.smear_data_left.Show(True)
+ self.smear_data_right.Show(True)
+ # custom pinhole smear
+ elif self.pinhole_smearer.GetValue():
+ if self.smear_type == 'Pinhole':
+ self.smear_message_new_p.Show(True)
+ self.smear_description_pin_percent.Show(True)
+
+ self.smear_pinhole_percent.Show(True)
+ # custom slit smear
+ elif self.slit_smearer.GetValue():
+ self.smear_message_new_s.Show(True)
+ self.smear_description_slit_height.Show(True)
+ self.smear_slit_height.Show(True)
+ self.smear_description_slit_width.Show(True)
+ self.smear_slit_width.Show(True)
+
+ def _hide_all_smear_info(self):
+ """
+ Hide all smearing messages in the set_smearer sizer
+ """
+ self.smear_description_none.Hide()
+ self.smear_description_dqdata.Hide()
+ self.smear_description_type.Hide()
+ self.smear_description_smear_type.Hide()
+ self.smear_description_accuracy_type.Hide()
+ self.smear_description_2d_x.Hide()
+ self.smear_description_2d_y.Hide()
+ self.smear_description_2d.Hide()
+
+ self.smear_accuracy.Hide()
+ self.smear_data_left.Hide()
+ self.smear_data_right.Hide()
+ self.smear_description_pin_percent.Hide()
+ self.smear_pinhole_percent.Hide()
+ self.smear_description_slit_height.Hide()
+ self.smear_slit_height.Hide()
+ self.smear_description_slit_width.Hide()
+ self.smear_slit_width.Hide()
+ self.smear_message_new_p.Hide()
+ self.smear_message_new_s.Hide()
+
+ def _set_accuracy_list(self):
+ """
+ Set the list of an accuracy in 2D custum smear:
+ Xhigh, High, Med, or Low
+ """
+ # list of accuracy choices
+ list = ['Low', 'Med', 'High', 'Xhigh']
+ for idx in range(len(list)):
+ self.smear_accuracy.Append(list[idx], idx)
+
+ def _set_fun_box_list(self, fun_box):
+ """
+ Set the list of func for multifunctional models
+ """
+ # Check if it is multi_functional model
+ if self.model.__class__ not in self.model_list_box["Multi-Functions"] \
+ and not self.temp_multi_functional:
+ return None
+ # Get the func name list
+ list = self.model.fun_list
+ if len(list) == 0:
+ return None
+ # build function (combo)box
+ ind = 0
+ while(ind < len(list)):
+ for key, val in list.iteritems():
+ if (val == ind):
+ fun_box.Append(key, val)
+ break
+ ind += 1
+
+ def _on_select_accuracy(self, event):
+ """
+ Select an accuracy in 2D custom smear: Xhigh, High, Med, or Low
+ """
+ # event.Skip()
+ # Check if the accuracy is same as before
+ # self.smear2d_accuracy = event.GetEventObject().GetValue()
+ self.smear2d_accuracy = self.smear_accuracy.GetValue()
+ if self.pinhole_smearer.GetValue():
+ self.onPinholeSmear(event=None)
+ else:
+ self.onSmear(event=None)
+ if self.current_smearer is not None:
+ self.current_smearer.set_accuracy(accuracy=\
+ self.smear2d_accuracy)
+ event.Skip()
+
+ def _on_fun_box(self, event):
+ """
+ Select an func: Erf,Rparabola,LParabola
+ """
+ fun_val = None
+ fun_box = event.GetEventObject()
+ name = fun_box.Name
+ value = fun_box.GetValue()
+ if value in self.model.fun_list:
+ fun_val = self.model.fun_list[value]
+
+ self.model.setParam(name, fun_val)
+ # save state
+ self._copy_parameters_state(self.str_parameters,
+ self.state.str_parameters)
+ # update params
+ self._update_paramv_on_fit()
+ # draw
+ self._draw_model()
+ self.Refresh()
+ # get ready for new event
+ event.Skip()
+
+ def _onMask(self, event):
+ """
+ Build a panel to allow to edit Mask
+ """
+ from sas.sasgui.guiframe.local_perspectives.plotting.masking import \
+ MaskPanel as MaskDialog
+
+ self.panel = MaskDialog(base=self, data=self.data, id=wx.NewId())
+ self.panel.ShowModal()
+
+ def _draw_masked_model(self, event):
+ """
+ Draw model image w/mask
+ """
+ is_valid_qrange = self._update_paramv_on_fit()
+
+ if is_valid_qrange and self.model is not None:
+ self.panel.MakeModal(False)
+ event.Skip()
+ # try re draw the model plot if it exists
+ self._draw_model()
+ self.show_npts2fit()
+ elif self.model is None:
+ self.panel.MakeModal(False)
+ event.Skip()
+ self.show_npts2fit()
+ msg = "No model is found on updating MASK in the model plot... "
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ else:
+ event.Skip()
+ msg = ' Please consider your Q range, too.'
+ self.panel.ShowMessage(msg)
+
+ def _set_smear(self, data):
+ """
+ Set_smear
+ """
+ if data is None:
+ return
+ self.current_smearer = smear_selection(data, self.model)
+ flag = self.disable_smearer.GetValue()
+ if self.current_smearer is None:
+ self.enable_smearer.Disable()
+ else:
+ self.enable_smearer.Enable()
+ if not flag:
+ self.onSmear(None)
+
+ def _mac_sleep(self, sec=0.2):
+ """
+ Give sleep to MAC
+ """
+ if self.is_mac:
+ time.sleep(sec)
+
+ def get_view_mode(self):
+ """
+ return True if the panel allow 2D or False if 1D
+ """
+ return self.enable2D
+
+ def compute_data_set_range(self, data_list):
+ """
+ find the range that include all data in the set
+ return the minimum and the maximum values
+ """
+ if data_list is not None and data_list != []:
+ for data in data_list:
+ qmin, qmax, npts = self.compute_data_range(data)
+ self.qmin_data_set = min(self.qmin_data_set, qmin)
+ self.qmax_data_set = max(self.qmax_data_set, qmax)
+ self.npts_data_set += npts
+ return self.qmin_data_set, self.qmax_data_set, self.npts_data_set
+
+ def compute_data_range(self, data):
+ """
+ compute the minimum and the maximum range of the data
+ return the npts contains in data
+ :param data:
+ """
+ qmin, qmax, npts = None, None, None
+ if data is not None:
+ if not hasattr(data, "data"):
+ try:
+ qmin = min(data.x)
+ # Maximum value of data
+ qmax = max(data.x)
+ npts = len(data.x)
+ except:
+ msg = "Unable to find min/max/length of \n data named %s" %\
+ data.filename
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg,
+ info="error"))
+ raise ValueError, msg
+
+ else:
+ qmin = 0
+ try:
+ x = max(math.fabs(data.xmin), math.fabs(data.xmax))
+ y = max(math.fabs(data.ymin), math.fabs(data.ymax))
+ except:
+ msg = "Unable to find min/max of \n data named %s" % \
+ data.filename
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg,
+ info="error"))
+ raise ValueError, msg
+ # Maximum value of data
+ qmax = math.sqrt(x * x + y * y)
+ npts = len(data.data)
+ return qmin, qmax, npts
+
+ def set_data(self, data):
+ """
+ reset the current data
+ """
+ id = None
+ flag = False
+ is_data = False
+ npts = 0
+ try:
+ old_id = self.data.id
+ old_group_id = self.data.group_id
+ except:
+ old_id = id
+ old_group_id = id
+ if self.data is not None:
+ is_data = check_data_validity(self.data)
+ if not is_data and data is not None:
+ flag = True
+ if data is not None:
+ if is_data:
+ self.graph_id = self.data.group_id
+ flag = (data.id != self.data.id)
+ self.data = data
+ if check_data_validity(data):
+ self.graph_id = data.group_id
+ self.data.group_id = self.graph_id
+
+ if self.data is None:
+ data_name = ""
+ self._set_bookmark_flag(False)
+ self._keep.Enable(False)
+ self._set_save_flag(False)
+ else:
+ if self.model is not None:
+ self._set_bookmark_flag(not self.batch_on)
+ self._keep.Enable(not self.batch_on)
+ if self.data.is_data:
+ self._set_save_flag(True)
+ self._set_preview_flag(True)
+
+ # more disables for 2D
+ di_flag = False
+ dq_flag = False
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ self.slit_smearer.Disable()
+ self.pinhole_smearer.Enable(True)
+ self.default_mask = copy.deepcopy(self.data.mask)
+ if self.data.err_data is not None \
+ and numpy.any(self.data.err_data):
+ di_flag = True
+ if self.data.dqx_data is not None \
+ and numpy.any(self.data.dqx_data):
+ dq_flag = True
+ else:
+ self.slit_smearer.Enable(True)
+ self.pinhole_smearer.Enable(True)
+ if self.data.dy is not None and numpy.any(self.data.dy):
+ di_flag = True
+ if self.data.dx is not None and numpy.any(self.data.dx):
+ dq_flag = True
+ elif self.data.dxl is not None and numpy.any(self.data.dxl):
+ dq_flag = True
+
+ if dq_flag:
+ self.enable_smearer.Enable(True)
+ self.enable_smearer.SetValue(True)
+ self.disable_smearer.SetValue(False)
+ else:
+ self.enable_smearer.Disable()
+ self.disable_smearer.Enable(True)
+ self.disable_smearer.SetValue(True)
+
+ if di_flag:
+ self.dI_didata.Enable(True)
+ self.dI_didata.SetValue(True)
+ self.weightbt_string = self.dI_didata.GetLabelText()
+ else:
+ self.dI_didata.Enable(False)
+ self.dI_noweight.SetValue(True)
+ self.weightbt_string = self.dI_noweight.GetLabelText()
+
+ # Enable weighting radio buttons
+ self.dI_noweight.Enable(True)
+ self.dI_sqrdata.Enable(True)
+ self.dI_idata.Enable(True)
+
+ self.formfactorbox.Enable()
+ self.structurebox.Enable()
+ data_name = self.data.name
+ _, _, npts = self.compute_data_range(self.data)
+ # set maximum range for x in linear scale
+ if not hasattr(self.data, "data"): # Display only for 1D data fit
+ self.btEditMask.Disable()
+ self.EditMask_title.Disable()
+ else:
+ self.btEditMask.Enable()
+ self.EditMask_title.Enable()
+
+ self.Npts_total.SetValue(str(npts))
+ # default:number of data points selected to fit
+ self.Npts_fit.SetValue(str(npts))
+ self.Npts_total.SetEditable(False)
+ self.Npts_total.SetBackgroundColour(
+ self.GetParent().GetBackgroundColour())
+
+ self.Npts_total.Bind(wx.EVT_MOUSE_EVENTS, self._npts_click)
+ self.pointsbox.Disable()
+ self.dataSource.SetValue(data_name)
+ self.state.data = data
+ self.enable_fit_button()
+ # send graph_id to page_finder
+ self._manager.set_graph_id(uid=self.uid, graph_id=self.graph_id)
+ # focus the page
+ if check_data_validity(data):
+ self.data_box_description.SetForegroundColour(wx.BLUE)
+
+ if self.batch_on:
+ self.slit_smearer.Enable(False)
+ self.pinhole_smearer.Enable(False)
+ self.btEditMask.Disable()
+ self.EditMask_title.Disable()
+
+ self.on_smear_helper()
+ self.on_set_focus(None)
+ self.Refresh()
+ # update model plot with new data information
+ if flag:
+ if self.data.__class__.__name__ == "Data2D":
+ self.enable2D = True
+ self.model_view.SetLabel("2D Mode")
+ else:
+ self.enable2D = False
+ self.model_view.SetLabel("1D Mode")
+ self.model_view.Disable()
+ # replace data plot on combo box selection
+ # by removing the previous selected data
+ try:
+ wx.PostEvent(self._manager.parent,
+ NewPlotEvent(action="delete",
+ group_id=old_group_id, id=old_id))
+ except:
+ pass
+ # plot the current selected data
+ wx.PostEvent(self._manager.parent,
+ NewPlotEvent(action="check", plot=self.data,
+ title=str(self.data.title)))
+ self._draw_model()
+
+ def _npts_click(self, event):
+ """
+ Prevent further handling of the mouse event on Npts_total
+ by not calling Skip().
+ """
+ pass
+
+ def reset_page(self, state, first=False):
+ """
+ reset the state
+ """
+ try:
+ self.reset_page_helper(state)
+
+ self.select_param()
+ # Save state_fit
+ self.save_current_state_fit()
+ except:
+ self._show_combox_helper()
+ msg = "Error: This model state has missing or outdated "
+ msg += "information.\n"
+ msg += traceback.format_exc()
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info="error"))
+ self._lay_out()
+ self.Refresh()
+
+ def get_range(self):
+ """
+ return the fitting range
+ """
+ return float(self.qmin_x), float(self.qmax_x)
+
+ def get_npts2fit(self):
+ """
+ return numbers of data points within qrange
+
+ :Note: This is to normalize chisq by Npts of fit
+
+ """
+ if self.data is None:
+ return
+ npts2fit = 0
+ qmin, qmax = self.get_range()
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ radius = numpy.sqrt(self.data.qx_data * self.data.qx_data +
+ self.data.qy_data * self.data.qy_data)
+ index_data = (self.qmin_x <= radius) & (radius <= self.qmax_x)
+ index_data = (index_data) & (self.data.mask)
+ index_data = (index_data) & (numpy.isfinite(self.data.data))
+ npts2fit = len(self.data.data[index_data])
+ else:
+ for qx in self.data.x:
+ if qmax >= qx >= qmin:
+ npts2fit += 1
+ return npts2fit
+
+ def show_npts2fit(self):
+ """
+ setValue Npts for fitting
+ """
+ self.Npts_fit.SetValue(str(self.get_npts2fit()))
+
+ def get_chi2(self):
+ """
+ return the current chi2
+ """
+ return self.tcChi.GetValue()
+
+ def onsetValues(self, chisqr, p_name, out, cov):
+ """
+ Build the panel from the fit result
+
+ :param chisqr: Value of the goodness of fit metric
+ :param p_name: the name of parameters
+ :param out: list of parameter with the best value found during fitting
+ :param cov: Covariance matrix
+
+ """
+
+ # make sure stop button to fit button all the time
+ self._on_fit_complete()
+ if out is None or not numpy.isfinite(chisqr):
+ raise ValueError, "Fit error occured..."
+
+ is_modified = False
+ has_error = False
+ dispersity = ''
+
+ # Hide textctrl boxes of errors.
+ self._clear_Err_on_Fit()
+
+ # Check if chi2 is finite
+ if chisqr is not None and numpy.isfinite(chisqr):
+ # format chi2
+ chi2 = format_number(chisqr, True)
+ self.tcChi.SetValue(chi2)
+ self.tcChi.Refresh()
+ else:
+ self.tcChi.SetValue("-")
+
+ # Hide error title
+ if self.text2_3.IsShown() and not self.is_mac:
+ self.text2_3.Hide()
+
+ try:
+ if self.enable_disp.GetValue():
+ if hasattr(self, "text_disp_1"):
+ if self.text_disp_1 is not None and not self.is_mac:
+ self.text_disp_1.Hide()
+ except:
+ dispersity = None
+ pass
+
+ i = 0
+ # Set the panel when fit result are list
+
+ for item in self.param_toFit:
+ if len(item) > 5 and item is not None:
+
+ if item[0].IsShown():
+ # reset error value to initial state
+ if not self.is_mac:
+ item[3].Hide()
+ item[4].Hide()
+ for ind in range(len(out)):
+ if item[1] == p_name[ind]:
+ break
+ if len(out) > 0 and out[ind] is not None:
+ val_out = format_number(out[ind], True)
+ item[2].SetValue(val_out)
+
+ if(cov is not None and len(cov) == len(out)):
+ try:
+ if dispersity is not None:
+ if self.enable_disp.GetValue():
+ if hasattr(self, "text_disp_1"):
+ if self.text_disp_1 is not None:
+ if not self.text_disp_1.IsShown()\
+ and not self.is_mac:
+ self.text_disp_1.Show(True)
+ except:
+ pass
+
+ if cov[ind] is not None:
+ if numpy.isfinite(float(cov[ind])):
+ val_err = format_number(cov[ind], True)
+ item[4].SetForegroundColour(wx.BLACK)
+ else:
+ val_err = 'NaN'
+ item[4].SetForegroundColour(wx.RED)
+ if not self.is_mac:
+ item[3].Show(True)
+ item[4].Show(True)
+ item[4].SetValue(val_err)
+ has_error = True
+ i += 1
+ else:
+ raise ValueError, "onsetValues: Invalid parameters..."
+ # Show error title when any errors displayed
+ if has_error:
+ if not self.text2_3.IsShown():
+ self.text2_3.Show(True)
+ # save current state
+ self.save_current_state()
+
+ if not self.is_mac:
+ self.Layout()
+ self.Refresh()
+ self._mac_sleep(0.1)
+ # plot model ( when drawing, do not update chisqr value again)
+ self._draw_model(update_chisqr=False, source='fit')
+
+ def onWeighting(self, event):
+ """
+ On Weighting radio button event, sets the weightbt_string
+ """
+ self.weightbt_string = event.GetEventObject().GetLabelText()
+ self._set_weight()
+
+ def _set_weight(self, is_2D=None):
+ """
+ Set weight in fit problem
+ """
+ # compute weight for the current data
+ flag_weight = self.get_weight_flag()
+ if is_2D is None:
+ is_2D = self._is_2D()
+ self._manager.set_fit_weight(uid=self.uid,
+ flag=flag_weight,
+ is2d=is_2D,
+ fid=None)
+
+ def onPinholeSmear(self, event):
+ """
+ Create a custom pinhole smear object that will change the way residuals
+ are compute when fitting
+
+ :Note: accuracy is given by strings'High','Med', 'Low' FOR 2d,
+ None for 1D
+
+ """
+ # Need update param values
+ self._update_paramv_on_fit()
+
+ if event is not None:
+ tcrtl = event.GetEventObject()
+ # event case of radio button
+ if tcrtl.GetValue():
+ self.dx_percent = 0.0
+ is_new_pinhole = True
+ else:
+ is_new_pinhole = self._is_changed_pinhole()
+ else:
+ is_new_pinhole = True
+ # if any value is changed
+ if is_new_pinhole:
+ self._set_pinhole_smear()
+ # hide all silt sizer
+ self._hide_all_smear_info()
+
+ # show relevant slit sizers
+ self._show_smear_sizer()
+
+ self.sizer_set_smearer.Layout()
+ # we need FitInside here not just self.Layout to ensure all the sizers
+ # end up with the necessasary space to in the scroll panel. In
+ # particular the compute and fit buttons end up on top of each other
+ # PDB Nov 28 2015.
+ self.FitInside()
+
+ if event is not None:
+ event.Skip()
+ # self._undo.Enable(True)
+ self.save_current_state()
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+
+ def _is_changed_pinhole(self):
+ """
+ check if any of pinhole smear is changed
+
+ :return: True or False
+
+ """
+ # get the values
+ pin_percent = self.smear_pinhole_percent.GetValue()
+
+ # Check changes in slit heigth
+ try:
+ dx_percent = float(pin_percent)
+ except:
+ return True
+ if self.dx_percent != dx_percent:
+ return True
+ return False
+
+ def _set_pinhole_smear(self):
+ """
+ Set custom pinhole smear
+
+ :return: msg
+
+ """
+ # copy data
+ data = copy.deepcopy(self.data)
+ if self._is_2D():
+ self.smear_type = 'Pinhole2d'
+ len_data = len(data.data)
+ data.dqx_data = numpy.zeros(len_data)
+ data.dqy_data = numpy.zeros(len_data)
+ else:
+ self.smear_type = 'Pinhole'
+ len_data = len(data.x)
+ data.dx = numpy.zeros(len_data)
+ data.dxl = None
+ data.dxw = None
+ msg = None
+
+ get_pin_percent = self.smear_pinhole_percent
+
+ if not check_float(get_pin_percent):
+ get_pin_percent.SetBackgroundColour("pink")
+ msg = "Model Error:wrong value entered!!!"
+ else:
+ if len_data < 2:
+ len_data = 2
+ self.dx_percent = float(get_pin_percent.GetValue())
+ if self.dx_percent < 0:
+ get_pin_percent.SetBackgroundColour("pink")
+ msg = "Model Error:This value can not be negative!!!"
+ elif self.dx_percent is not None:
+ percent = self.dx_percent/100
+ if self._is_2D():
+ data.dqx_data[data.dqx_data == 0] = percent * data.qx_data
+ data.dqy_data[data.dqy_data == 0] = percent * data.qy_data
+ else:
+ data.dx = percent * data.x
+ self.current_smearer = smear_selection(data, self.model)
+ # 2D need to set accuracy
+ if self._is_2D():
+ self.current_smearer.set_accuracy(
+ accuracy=self.smear2d_accuracy)
+
+ if msg is not None:
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+ else:
+ get_pin_percent.SetBackgroundColour("white")
+ # set smearing value whether or not the data contain the smearing info
+
+ enable_smearer = not self.disable_smearer.GetValue()
+ self._manager.set_smearer(smearer=self.current_smearer,
+ fid=self.data.id,
+ qmin=float(self.qmin_x),
+ qmax=float(self.qmax_x),
+ enable_smearer=enable_smearer,
+ uid=self.uid)
+ return msg
+
+ def update_pinhole_smear(self):
+ """
+ called by kill_focus on pinhole TextCntrl
+ to update the changes
+
+ :return: False when wrong value was entered
+
+ """
+ # msg default
+ msg = None
+ # check if any value is changed
+ if self._is_changed_pinhole():
+ msg = self._set_pinhole_smear()
+ wx.CallAfter(self.save_current_state)
+
+ if msg is not None:
+ return False
+ else:
+ return True
+
+ def onSlitSmear(self, event):
+ """
+ Create a custom slit smear object that will change the way residuals
+ are compute when fitting
+ """
+ # Need update param values
+ self._update_paramv_on_fit()
+
+ # msg default
+ msg = None
+ # for event given
+ if event is not None:
+ tcrtl = event.GetEventObject()
+ # event case of radio button
+ if tcrtl.GetValue():
+ self.dxl = 0.0
+ self.dxw = 0.0
+ is_new_slit = True
+ else:
+ is_new_slit = self._is_changed_slit()
+ else:
+ is_new_slit = True
+
+ # if any value is changed
+ if is_new_slit:
+ msg = self._set_slit_smear()
+
+ # hide all silt sizer
+ self._hide_all_smear_info()
+ # show relevant slit sizers
+ self._show_smear_sizer()
+ self.sizer_set_smearer.Layout()
+ # we need FitInside here not just self.Layout to ensure all the sizers
+ # end up with the necessasary space to in the scroll panel. In
+ # particular the compute and fit buttons end up on top of each other
+ # PDB Nov 28 2015.
+ self.FitInside()
+
+ if event is not None:
+ event.Skip()
+ self.save_current_state()
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ if msg is not None:
+ wx.PostEvent(self._manager.parent, StatusEvent(status=msg))
+
+ def _is_changed_slit(self):
+ """
+ check if any of slit lengths is changed
+
+ :return: True or False
+
+ """
+ # get the values
+ width = self.smear_slit_width.GetValue()
+ height = self.smear_slit_height.GetValue()
+
+ # check and change the box bg color if it was pink
+ # but it should be white now
+ # because this is the case that _set_slit_smear() will not handle
+ if height.lstrip().rstrip() == "":
+ self.smear_slit_height.SetBackgroundColour(wx.WHITE)
+ if width.lstrip().rstrip() == "":
+ self.smear_slit_width.SetBackgroundColour(wx.WHITE)
+
+ # Check changes in slit width
+ if width == "":
+ dxw = 0.0
+ else:
+ try:
+ dxw = float(width)
+ except:
+ return True
+ if self.dxw != dxw:
+ return True
+
+ # Check changes in slit heigth
+ if height == "":
+ dxl = 0.0
+ else:
+ try:
+ dxl = float(height)
+ except:
+ return True
+ if self.dxl != dxl:
+ return True
+
+ return False
+
+ def _set_slit_smear(self):
+ """
+ Set custom slit smear
+
+ :return: message to inform the user about the validity
+ of the values entered for slit smear
+ """
+ if self.data.__class__.__name__ == "Data2D" or self.enable2D:
+ return
+ # make sure once more if it is smearer
+ data = copy.deepcopy(self.data)
+ data_len = len(data.x)
+ data.dx = None
+ data.dxl = None
+ data.dxw = None
+ msg = None
+
+ try:
+ self.dxl = float(self.smear_slit_height.GetValue())
+ data.dxl = self.dxl * numpy.ones(data_len)
+ self.smear_slit_height.SetBackgroundColour(wx.WHITE)
+ except:
+ self.dxl = None
+ data.dxl = numpy.zeros(data_len)
+ if self.smear_slit_height.GetValue().lstrip().rstrip() != "":
+ self.smear_slit_height.SetBackgroundColour("pink")
+ msg = "Wrong value entered... "
+ else:
+ self.smear_slit_height.SetBackgroundColour(wx.WHITE)
+ try:
+ self.dxw = float(self.smear_slit_width.GetValue())
+ self.smear_slit_width.SetBackgroundColour(wx.WHITE)
+ data.dxw = self.dxw * numpy.ones(data_len)
+ except:
+ self.dxw = None
+ data.dxw = numpy.zeros(data_len)
+ if self.smear_slit_width.GetValue().lstrip().rstrip() != "":
+ self.smear_slit_width.SetBackgroundColour("pink")
+ msg = "Wrong Fit value entered... "
+ else:
+ self.smear_slit_width.SetBackgroundColour(wx.WHITE)
+
+ self.current_smearer = smear_selection(data, self.model)
+ # set smearing value whether or not the data contain the smearing info
+ enable_smearer = not self.disable_smearer.GetValue()
+ self._manager.set_smearer(smearer=self.current_smearer,
+ fid=self.data.id,
+ qmin=float(self.qmin_x),
+ qmax=float(self.qmax_x),
+ enable_smearer=enable_smearer,
+ uid=self.uid)
+ return msg
+
+ def update_slit_smear(self):
+ """
+ called by kill_focus on pinhole TextCntrl
+ to update the changes
+
+ :return: False when wrong value was entered
+
+ """
+ # msg default
+ msg = None
+ # check if any value is changed
+ if self._is_changed_slit():
+ msg = self._set_slit_smear()
+ # self._undo.Enable(True)
+ self.save_current_state()
+
+ if msg is not None:
+ return False
+ else:
+ return True
+
+ def onSmear(self, event):
+ """
+ Create a smear object that will change the way residuals
+ are computed when fitting
+ """
+ if event is not None:
+ event.Skip()
+ if self.data is None:
+ return
+
+ # Need update param values
+ self._update_paramv_on_fit()
+ if self.model is not None:
+ if self.data.is_data:
+ self._manager.page_finder[self.uid].add_data(data=self.data)
+ temp_smearer = self.on_smear_helper()
+
+ self.sizer_set_smearer.Layout()
+ # we need FitInside here not just self.Layout to ensure all the sizers
+ # end up with the necessasary space to in the scroll panel. In
+ # particular the compute and fit buttons end up on top of each other
+ # PDB Nov 28 2015.
+ self.FitInside()
+ self._set_weight()
+
+ # set smearing value whether or not the data contain the smearing info
+ enable_smearer = not self.disable_smearer.GetValue()
+ wx.CallAfter(self._manager.set_smearer, uid=self.uid,
+ smearer=temp_smearer,
+ fid=self.data.id,
+ qmin=float(self.qmin_x),
+ qmax=float(self.qmax_x),
+ enable_smearer=enable_smearer)
+
+ self.state.enable_smearer = self.enable_smearer.GetValue()
+ self.state.disable_smearer = self.disable_smearer.GetValue()
+ self.state.pinhole_smearer = self.pinhole_smearer.GetValue()
+ self.state.slit_smearer = self.slit_smearer.GetValue()
+
+ def on_smear_helper(self, update=False):
+ """
+ Help for onSmear
+
+ :param update: force or not to update
+ """
+ self._get_smear_info()
+ # renew smear sizer
+ if self.smear_type is not None:
+ self.smear_description_smear_type.SetValue(str(self.smear_type))
+ self.smear_data_left.SetValue(str(self.dq_l))
+ self.smear_data_right.SetValue(str(self.dq_r))
+
+ self._hide_all_smear_info()
+ data = copy.deepcopy(self.data)
+
+ # make sure once more if it is smearer
+ temp_smearer = smear_selection(data, self.model)
+ if self.current_smearer != temp_smearer or update:
+ self.current_smearer = temp_smearer
+ if self.enable_smearer.GetValue():
+ if self.current_smearer is None:
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status="Data contains no smearing information"))
+ else:
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status="Data contains smearing information"))
+
+ self.smear_data_left.Show(True)
+ self.smear_data_right.Show(True)
+ temp_smearer = self.current_smearer
+ elif self.disable_smearer.GetValue():
+ self.smear_description_none.Show(True)
+ elif self.pinhole_smearer.GetValue():
+ self.onPinholeSmear(None)
+ elif self.slit_smearer.GetValue():
+ self.onSlitSmear(None)
+ self._show_smear_sizer()
+
+ return temp_smearer
+
+ def on_complete_chisqr(self, event):
+ """
+ Display result chisqr on the panel
+ :event: activated by fitting/ complete after draw
+ """
+ try:
+ if event is None:
+ output = "-"
+ elif not numpy.isfinite(event.output):
+ output = "-"
+ else:
+ output = event.output
+ self.tcChi.SetValue(str(format_number(output, True)))
+ self.state.tcChi = self.tcChi.GetValue()
+ except:
+ pass
+
+ def get_all_checked_params(self):
+ """
+ Found all parameters current check and add them to list of parameters
+ to fit
+ """
+ self.param_toFit = []
+ for item in self.parameters:
+ if item[0].GetValue() and item not in self.param_toFit:
+ if item[0].IsShown():
+ self.param_toFit.append(item)
+ for item in self.fittable_param:
+ if item[0].GetValue() and item not in self.param_toFit:
+ if item[0].IsShown():
+ self.param_toFit.append(item)
+ self.save_current_state_fit()
+
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+ param2fit = []
+ for item in self.param_toFit:
+ if item[0] and item[0].IsShown():
+ param2fit.append(item[1])
+ self._manager.set_param2fit(self.uid, param2fit)
+
+ def select_param(self, event=None):
+ """
+ Select TextCtrl checked for fitting purpose and stores them
+ in self.param_toFit=[] list
+ """
+ self.param_toFit = []
+ for item in self.parameters:
+ # Skip t ifhe angle parameters if 1D data
+ if self.data.__class__.__name__ != "Data2D" and\
+ not self.enable2D:
+ if item in self.orientation_params:
+ continue
+ # Select parameters to fit for list of primary parameters
+ if item[0].GetValue() and item[0].IsShown():
+ if not (item in self.param_toFit):
+ self.param_toFit.append(item)
+ else:
+ #remove parameters from the fitting list
+ if item in self.param_toFit:
+ self.param_toFit.remove(item)
+
+ # Select parameters to fit for list of fittable parameters
+ # with dispersion
+ for item in self.fittable_param:
+ # Skip t ifhe angle parameters if 1D data
+ if self.data.__class__.__name__ != "Data2D" and\
+ not self.enable2D:
+ if item in self.orientation_params:
+ continue
+ if item[0].GetValue() and item[0].IsShown():
+ if not (item in self.param_toFit):
+ self.param_toFit.append(item)
+ else:
+ # remove parameters from the fitting list
+ if item in self.param_toFit:
+ self.param_toFit.remove(item)
+
+ # Calculate num. of angle parameters
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ len_orient_para = 0
+ else:
+ len_orient_para = len(self.orientation_params) # assume even len
+ # Total num. of angle parameters
+ if len(self.fittable_param) > 0:
+ len_orient_para *= 2
+
+ self.save_current_state_fit()
+ if event is not None:
+ # post state to fit panel
+ event = PageInfoEvent(page=self)
+ wx.PostEvent(self.parent, event)
+
+ param2fit = []
+ for item in self.param_toFit:
+ if item[0] and item[0].IsShown():
+ param2fit.append(item[1])
+ self._manager.set_param2fit(self.uid, param2fit)
+
+ def set_model_param_sizer(self, model):
+ """
+ Build the panel from the model content
+
+ :param model: the model selected in combo box for fitting purpose
+
+ """
+ self.sizer3.Clear(True)
+ self.parameters = []
+ self.str_parameters = []
+ self.param_toFit = []
+ self.fittable_param = []
+ self.fixed_param = []
+ self.orientation_params = []
+ self.orientation_params_disp = []
+
+ if model is None:
+ self.sizer3.Layout()
+ self.SetupScrolling()
+ return
+
+ box_description = wx.StaticBox(self, wx.ID_ANY, str("Model Parameters"))
+ boxsizer1 = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ sizer = wx.GridBagSizer(5, 5)
+ # save the current model
+ self.model = model
+
+ keys = self.model.getParamList()
+
+ # list of dispersion parameters
+ self.disp_list = self.model.getDispParamList()
+
+ def custom_compare(a, b):
+ """
+ Custom compare to order, first by alphabets then second by number.
+ """
+ # number at the last digit
+ a_last = a[len(a) - 1]
+ b_last = b[len(b) - 1]
+ # default
+ num_a = None
+ num_b = None
+ # split the names
+ a2 = a.lower().split('_')
+ b2 = b.lower().split('_')
+ # check length of a2, b2
+ len_a2 = len(a2)
+ len_b2 = len(b2)
+ # check if it contains a int number(<10)
+ try:
+ num_a = int(a_last)
+ except:
+ pass
+ try:
+ num_b = int(b_last)
+ except:
+ pass
+ # Put 'scale' near the top; happens
+ # when numbered param name exists
+ if a == 'scale':
+ return -1
+ # both have a number
+ if num_a is not None and num_b is not None:
+ if num_a > num_b:
+ return -1
+ # same number
+ elif num_a == num_b:
+ # different last names
+ if a2[len_a2 - 1] != b2[len_b2 - 1] and num_a != 0:
+ return -cmp(a2[len_a2 - 1], b2[len_b2 - 1])
+ else:
+ return cmp(a, b)
+ else:
+ return 1
+ # one of them has a number
+ elif num_a is not None:
+ return 1
+ elif num_b is not None:
+ return -1
+ # no numbers
+ else:
+ return cmp(a.lower(), b.lower())
+
+ # keys obtained now from ordered dict, so commenting alphabetical
+ # ordering keys.sort(custom_compare)
+
+ iy = 0
+ ix = 0
+ sizer.Add(wx.StaticText(self, wx.ID_ANY, 'Parameter'),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.text2_2 = wx.StaticText(self, wx.ID_ANY, 'Value')
+ sizer.Add(self.text2_2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ self.text2_3 = wx.StaticText(self, wx.ID_ANY, 'Error')
+ sizer.Add(self.text2_3, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if not self.is_mac:
+ self.text2_3.Hide()
+ ix += 1
+ self.text2_min = wx.StaticText(self, wx.ID_ANY, 'Min')
+ sizer.Add(self.text2_min, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ # self.text2_min.Hide()
+ ix += 1
+ self.text2_max = wx.StaticText(self, wx.ID_ANY, 'Max')
+ sizer.Add(self.text2_max, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ # self.text2_max.Hide()
+ ix += 1
+ self.text2_4 = wx.StaticText(self, wx.ID_ANY, '[Units]')
+ sizer.Add(self.text2_4, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.text2_4.Hide()
+
+ CHECK_STATE = False
+ for item in keys:
+
+ if item not in self.disp_list and not item in \
+ self.model.orientation_params:
+
+ # prepare a spot to store errors
+ if item not in self.model.details:
+ self.model.details[item] = ["", None, None]
+
+ iy += 1
+ ix = 0
+ if (self.model.__class__ in
+ self.model_list_box["Multi-Functions"] or
+ self.temp_multi_functional)\
+ and (item in self.model.non_fittable):
+ non_fittable_name = wx.StaticText(self, wx.ID_ANY, item)
+ sizer.Add(non_fittable_name, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 21)
+ # add parameter value
+ ix += 1
+ value = self.model.getParam(item)
+ if len(self.model.fun_list) > 0:
+ # num = item.split('_')[1][5:7]
+ fun_box = wx.ComboBox(self, wx.ID_ANY, size=(100, -1),
+ style=wx.CB_READONLY, name='%s' % item)
+ self._set_fun_box_list(fun_box)
+ fun_box.SetSelection(0)
+ # self.fun_box.SetToolTipString("A function
+ # describing the interface")
+ wx.EVT_COMBOBOX(fun_box, wx.ID_ANY, self._on_fun_box)
+ else:
+ fun_box = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER, name='%s' % item)
+ fun_box.SetToolTipString(
+ "Hit 'Enter' after typing to update the plot.")
+ fun_box.SetValue(format_number(value, True))
+ sizer.Add(fun_box, (iy, ix), (1, 1), wx.EXPAND)
+ self.str_parameters.append([None, item, fun_box,
+ None, None, None,
+ None, None])
+ else:
+ # add parameters name with checkbox for selecting to fit
+ cb = wx.CheckBox(self, wx.ID_ANY, item)
+ cb.SetValue(CHECK_STATE)
+ cb.SetToolTipString(" Check mark to fit.")
+ # cb.SetValue(True)
+ wx.EVT_CHECKBOX(self, cb.GetId(), self.select_param)
+
+ sizer.Add(cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ # add parameter value
+ ix += 1
+ value = self.model.getParam(item)
+ ctl1 = ModelTextCtrl(self, wx.ID_ANY, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ctl1.SetToolTipString(
+ "Hit 'Enter' after typing to update the plot.")
+ ctl1.SetValue(format_number(value, True))
+ sizer.Add(ctl1, (iy, ix), (1, 1), wx.EXPAND)
+ # text to show error sign
+ ix += 1
+ text2 = wx.StaticText(self, wx.ID_ANY, '+/-')
+ sizer.Add(text2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if not self.is_mac:
+ text2.Hide()
+ ix += 1
+ ctl2 = wx.TextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.2, 20), style=0)
+ sizer.Add(ctl2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if not self.is_mac:
+ ctl2.Hide()
+
+ ix += 1
+ ctl3 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.9, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+ min_bound = self.model.details[item][1]
+ if min_bound is not None:
+ ctl3.SetValue(format_number(min_bound, True))
+
+ sizer.Add(ctl3, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ ctl4 = ModelTextCtrl(self, wx.ID_ANY,
+ size=(_BOX_WIDTH / 1.9, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+ max_bound = self.model.details[item][2]
+ if max_bound is not None:
+ ctl4.SetValue(format_number(max_bound, True))
+ sizer.Add(ctl4, (iy, ix), (1, 1),
+ wx.EXPAND | wx.FIXED_MINSIZE, 0)
+
+ ix += 1
+ # Units
+ if item in self.model.details:
+ units = wx.StaticText(self, wx.ID_ANY,
+ self.model.details[item][0], style=wx.ALIGN_LEFT)
+ else:
+ units = wx.StaticText(self, wx.ID_ANY, "",
+ style=wx.ALIGN_LEFT)
+ sizer.Add(units, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ self.parameters.append([cb, item, ctl1,
+ text2, ctl2, ctl3, ctl4, units])
+
+ iy += 1
+ sizer.Add((10, 10), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ # type can be either Guassian or Array
+ if len(self.model.dispersion.values()) > 0:
+ type = self.model.dispersion.values()[0]["type"]
+ else:
+ type = "Gaussian"
+
+ iy += 1
+ ix = 0
+ # Add tile for orientational angle
+ for item in keys:
+ if item in self.model.orientation_params:
+ orient_angle = wx.StaticText(self, wx.ID_ANY, '[For 2D only]:')
+ mag_on_button = wx.Button(self, wx.ID_ANY, "Magnetic ON")
+ mag_on_button.SetToolTipString("Turn Pol Beam/Mag scatt on/off")
+ mag_on_button.Bind(wx.EVT_BUTTON, self._on_mag_on)
+ mag_angle_help_button = wx.Button(self, wx.ID_ANY,
+ "Magnetic angles?")
+ mag_angle_help_button.SetToolTipString("see angle definitions")
+ mag_help_button = wx.Button(self, wx.ID_ANY, "Mag HELP")
+ mag_help_button.SetToolTipString("Help on pol beam/mag fitting")
+ mag_help_button.Bind(wx.EVT_BUTTON, self._on_mag_help)
+ mag_angle_help_button.Bind(wx.EVT_BUTTON,
+ self._on_mag_angle_help)
+ sizer.Add(orient_angle, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ sizer.Add(mag_on_button, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(mag_angle_help_button, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ sizer.Add(mag_help_button, (iy, ix + 1), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ # handle the magnetic buttons
+ # clean this up so that assume mag is off then turn
+ # all buttons on IF mag has mag and has 2D
+ if not self._has_magnetic:
+ mag_on_button.Show(False)
+ elif not self.data.__class__.__name__ == "Data2D":
+ mag_on_button.Show(False)
+ else:
+ mag_on_button.Show(True)
+ mag_help_button.Show(False)
+ mag_angle_help_button.Show(False)
+ if mag_on_button.IsShown():
+ if self.magnetic_on:
+ mag_on_button.SetLabel("Magnetic OFF")
+ mag_help_button.Show(True)
+ mag_angle_help_button.Show(True)
+ else:
+ mag_on_button.SetLabel("Magnetic ON")
+ mag_help_button.Show(False)
+ mag_angle_help_button.Show(False)
+
+ if not self.data.__class__.__name__ == "Data2D" and \
+ not self.enable2D:
+ orient_angle.Hide()
+ else:
+ orient_angle.Show(True)
+ break
+
+ # For Gaussian only
+ if type.lower() != "array":
+ for item in self.model.orientation_params:
+ if not self.magnetic_on:
+ if item in self.model.magnetic_params:
+ continue
+ if item not in self.disp_list:
+ # prepare a spot to store min max
+ if item not in self.model.details:
+ self.model.details[item] = ["", None, None]
+
+ iy += 1
+ ix = 0
+ # add parameters name with checkbox for selecting to fit
+ cb = wx.CheckBox(self, wx.ID_ANY, item)
+ cb.SetValue(CHECK_STATE)
+ cb.SetToolTipString("Check mark to fit")
+ wx.EVT_CHECKBOX(self, cb.GetId(), self.select_param)
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ cb.Show(True)
+ else:
+ cb.Hide()
+ sizer.Add(cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ # add parameter value
+ ix += 1
+ value = self.model.getParam(item)
+ ctl1 = ModelTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=wx.TE_PROCESS_ENTER)
+ ctl1.SetToolTipString(
+ "Hit 'Enter' after typing to update the plot.")
+ ctl1.SetValue(format_number(value, True))
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ ctl1.Show(True)
+ else:
+ ctl1.Hide()
+ sizer.Add(ctl1, (iy, ix), (1, 1), wx.EXPAND)
+ # text to show error sign
+ ix += 1
+ text2 = wx.StaticText(self, -1, '+/-')
+ sizer.Add(text2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ text2.Hide()
+ ix += 1
+ ctl2 = wx.TextCtrl(self, -1,
+ size=(_BOX_WIDTH / 1.2, 20), style=0)
+ sizer.Add(ctl2, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ctl2.Hide()
+
+ ix += 1
+ ctl3 = ModelTextCtrl(self, -1,
+ size=(_BOX_WIDTH / 1.8, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+
+ sizer.Add(ctl3, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ctl3.Hide()
+
+ ix += 1
+ ctl4 = ModelTextCtrl(self, -1,
+ size=(_BOX_WIDTH / 1.8, 20),
+ style=wx.TE_PROCESS_ENTER,
+ text_enter_callback=self._onparamRangeEnter)
+ sizer.Add(ctl4, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ctl4.Hide()
+
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ if self.is_mac:
+ text2.Show(True)
+ ctl2.Show(True)
+ ctl3.Show(True)
+ ctl4.Show(True)
+
+ ix += 1
+ # Units
+ if item in self.model.details:
+ units = wx.StaticText(self, -1,
+ self.model.details[item][0],
+ style=wx.ALIGN_LEFT)
+ else:
+ units = wx.StaticText(self, -1, "",
+ style=wx.ALIGN_LEFT)
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ units.Show(True)
+ else:
+ units.Hide()
+
+ sizer.Add(units, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ self.parameters.append([cb, item, ctl1,
+ text2, ctl2, ctl3, ctl4, units])
+ self.orientation_params.append([cb, item, ctl1,
+ text2, ctl2, ctl3, ctl4, units])
+
+ iy += 1
+ box_description.SetForegroundColour(wx.BLUE)
+ # Display units text on panel
+ for item in keys:
+ if item in self.model.details:
+ self.text2_4.Show()
+ # Fill the list of fittable parameters
+ self.get_all_checked_params()
+ self.save_current_state_fit()
+ boxsizer1.Add(sizer)
+ self.sizer3.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+ self.sizer3.Layout()
+ self.Layout()
+
+ def on_right_down(self, event):
+ """
+ Get key stroke event
+ """
+ if self.data is None:
+ return
+ # Figuring out key combo: Cmd for copy, Alt for paste
+ if event.AltDown() and event.ShiftDown():
+ flag = True
+ elif event.AltDown() or event.ShiftDown():
+ flag = False
+ else:
+ return
+ # make event free
+ event.Skip()
+ # messages depending on the flag
+ if not flag:
+ infor = 'warning'
+ # inform msg to wx
+ wx.PostEvent(self._manager.parent,
+ StatusEvent(status=msg, info=infor))
+
+ def _onModel2D(self, event):
+ """
+ toggle view of model from 1D to 2D or 2D from 1D
+ """
+ if self.model_view.GetLabelText() == "Show 2D":
+ self.model_view.SetLabel("Show 1D")
+ self.enable2D = True
+
+ else:
+ self.model_view.SetLabel("Show 2D")
+ self.enable2D = False
+ self.Show(False)
+ self.create_default_data()
+ self._manager.store_data(self.uid, data_list=[self.data])
+
+ self.set_model_param_sizer(self.model)
+ self._set_sizer_dispersion()
+ self._set_weight(is_2D=self.enable2D)
+ self._set_smear_buttons()
+ self.Show(True)
+ self.SetupScrolling()
+ self._draw_model()
+
+ self.state.enable2D = copy.deepcopy(self.enable2D)
+
+ def _set_smear_buttons(self):
+ """
+ Set semarer radio buttons
+ """
+ # more disables for 2D
+ if self.data.__class__.__name__ == "Data2D" or \
+ self.enable2D:
+ self.slit_smearer.Disable()
+ self.pinhole_smearer.Enable(True)
+ self.default_mask = copy.deepcopy(self.data.mask)
+ else:
+ self.slit_smearer.Enable(True)
+ self.pinhole_smearer.Enable(True)
+
+
+class BGTextCtrl(wx.TextCtrl):
+ """
+ Text control used to display outputs.
+ No editing allowed. The background is
+ grayed out. User can't select text.
+ """
+ def __init__(self, *args, **kwds):
+ wx.TextCtrl.__init__(self, *args, **kwds)
+ self.SetEditable(False)
+ self.SetBackgroundColour(self.GetParent().parent.GetBackgroundColour())
+
+ # Bind to mouse event to avoid text highlighting
+ # The event will be skipped once the call-back
+ # is called.
+ self.Bind(wx.EVT_MOUSE_EVENTS, self._click)
+
+ def _click(self, event):
+ """
+ Prevent further handling of the mouse event
+ by not calling Skip().
+ """
+ pass
diff --git a/src/sas/sasgui/perspectives/fitting/fitpanel.py b/src/sas/sasgui/perspectives/fitting/fitpanel.py
new file mode 100644
index 0000000..ad59331
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/fitpanel.py
@@ -0,0 +1,616 @@
+"""
+FitPanel class contains fields allowing to fit models and data
+
+:note: For Fit to be performed the user should check at least one parameter
+ on fit Panel window.
+
+"""
+import wx
+from wx.aui import AuiNotebook as nb
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.events import PanelOnFocusEvent, StatusEvent
+from sas.sasgui.guiframe.dataFitting import check_data_validity
+from sas.sasgui.perspectives.fitting.simfitpage import SimultaneousFitPage
+
+import basepage
+import models
+_BOX_WIDTH = 80
+
+
+class FitPanel(nb, PanelBase):
+ """
+ FitPanel class contains fields allowing to fit models and data
+
+ :note: For Fit to be performed the user should check at least one parameter
+ on fit Panel window.
+
+ """
+ # Internal name for the AUI manager
+ window_name = "Fit panel"
+ # Title to appear on top of the window
+ window_caption = "Fit Panel "
+ CENTER_PANE = True
+
+ def __init__(self, parent, manager=None, *args, **kwargs):
+ """
+ """
+ nb.__init__(self, parent, wx.ID_ANY,
+ style=wx.aui.AUI_NB_WINDOWLIST_BUTTON |
+ wx.aui.AUI_NB_DEFAULT_STYLE |
+ wx.CLIP_CHILDREN)
+ PanelBase.__init__(self, parent)
+ # self.SetWindowStyleFlag(style=nb.FNB_FANCY_TABS)
+ self._manager = manager
+ self.parent = parent
+ self.event_owner = None
+ # dictionary of miodel {model class name, model class}
+ self.menu_mng = models.ModelManager()
+ self.model_list_box = self.menu_mng.get_model_list()
+ # pageClosedEvent = nb.EVT_FLATNOTEBOOK_PAGE_CLOSING
+ self.model_dictionary = self.menu_mng.get_model_dictionary()
+ self.pageClosedEvent = wx.aui.EVT_AUINOTEBOOK_PAGE_CLOSE
+
+ self.Bind(self.pageClosedEvent, self.on_close_page)
+ # save the title of the last page tab added
+ self.fit_page_name = {}
+ # list of existing fit page
+ self.opened_pages = {}
+ # index of fit page
+ self.fit_page_index = 0
+ # index of batch page
+ self.batch_page_index = 0
+ # page of simultaneous fit
+ self.sim_page = None
+ self.batch_page = None
+ # get the state of a page
+ self.Bind(basepage.EVT_PAGE_INFO, self._onGetstate)
+ self.Bind(basepage.EVT_PREVIOUS_STATE, self._onUndo)
+ self.Bind(basepage.EVT_NEXT_STATE, self._onRedo)
+ self.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED, self.on_page_changing)
+ self.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CLOSED, self.on_closed)
+
+ def on_closed(self, event):
+ """
+ """
+ if self.GetPageCount() == 0:
+ self.add_empty_page()
+ self.enable_close_button()
+
+ def save_project(self, doc=None):
+ """
+ return an xml node containing state of the panel
+ that guiframe can write to file
+ """
+ # Iterate through all pages and check for batch fitting
+ batch_state = None
+ if self.sim_page is not None:
+ batch_state = self.sim_page.set_state()
+
+ for uid, page in self.opened_pages.iteritems():
+ data = page.get_data()
+ # state must be cloned
+ state = page.get_state().clone()
+ # data_list only populated with real data
+ # Fake object in data from page.get_data() if model is selected
+ if len(page.data_list) is not 0 and page.model is not None:
+ new_doc = self._manager.state_reader.write_toXML(data,
+ state,
+ batch_state)
+ # Fit #2 through #n are append to first fit
+ if doc is not None and hasattr(doc, "firstChild"):
+ # Only append if properly formed new_doc
+ if new_doc is not None and hasattr(new_doc, "firstChild"):
+ child = new_doc.firstChild.firstChild
+ doc.firstChild.appendChild(child)
+ # First fit defines the main document
+ else:
+ doc = new_doc
+
+ return doc
+
+ def update_model_list(self):
+ """
+ """
+ temp = self.menu_mng.update()
+ if len(temp):
+ self.model_list_box = temp
+ return temp
+
+ def reset_pmodel_list(self):
+ """
+ """
+ temp = self.menu_mng.plugins_reset()
+ if len(temp):
+ self.model_list_box = temp
+ return temp
+
+ def get_page_by_id(self, uid):
+ """
+ """
+ if uid not in self.opened_pages:
+ msg = "Fitpanel cannot find ID: %s in self.opened_pages" % str(uid)
+ raise ValueError, msg
+ else:
+ return self.opened_pages[uid]
+
+ def on_page_changing(self, event):
+ """
+ calls the function when the current event handler has exited. avoiding
+ to call panel on focus on a panel that is currently deleted
+ """
+ wx.CallAfter(self.helper_on_page_change)
+
+ def helper_on_page_change(self):
+ """
+ """
+ pos = self.GetSelection()
+ if pos != -1:
+ selected_page = self.GetPage(pos)
+ wx.PostEvent(self._manager.parent,
+ PanelOnFocusEvent(panel=selected_page))
+ self.enable_close_button()
+
+ def on_set_focus(self, event):
+ """
+ """
+ pos = self.GetSelection()
+ if pos != -1:
+ selected_page = self.GetPage(pos)
+ wx.PostEvent(self._manager.parent,
+ PanelOnFocusEvent(panel=selected_page))
+
+ def get_data(self):
+ """
+ get the data in the current page
+ """
+ pos = self.GetSelection()
+ if pos != -1:
+ selected_page = self.GetPage(pos)
+ return selected_page.get_data()
+
+ def set_model_state(self, state):
+ """
+ receive a state to reset the model in the current page
+ """
+ pos = self.GetSelection()
+ if pos != -1:
+ selected_page = self.GetPage(pos)
+ selected_page.set_model_state(state)
+
+ def get_state(self):
+ """
+ return the state of the current selected page
+ """
+ pos = self.GetSelection()
+ if pos != -1:
+ selected_page = self.GetPage(pos)
+ return selected_page.get_state()
+
+ def close_all(self):
+ """
+ remove all pages, used when a svs file is opened
+ """
+
+ # use while-loop, for-loop will not do the job well.
+ while (self.GetPageCount() > 0):
+ page = self.GetPage(self.GetPageCount() - 1)
+ if self._manager.parent.panel_on_focus == page:
+ self._manager.parent.panel_on_focus = None
+ self._close_helper(selected_page=page)
+ self.DeletePage(self.GetPageCount() - 1)
+ # Clear list of names
+ self.fit_page_name = {}
+ # Clear list of opened pages
+ self.opened_pages = {}
+ self.fit_page_index = 0
+ self.batch_page_index = 0
+
+ def set_state(self, state):
+ """
+ Restore state of the panel
+ """
+ page_is_opened = False
+ if state is not None:
+ for uid, panel in self.opened_pages.iteritems():
+ # Don't return any panel is the exact same page is created
+ if uid == panel.uid and panel.data == state.data:
+ # the page is still opened
+ panel.reset_page(state=state)
+ panel.save_current_state()
+ page_is_opened = True
+ if not page_is_opened:
+ if state.data.__class__.__name__ != 'list':
+ # To support older state file format
+ list_data = [state.data]
+ else:
+ # Todo: need new file format for the list
+ list_data = state.data
+ panel = self._manager.add_fit_page(data=list_data)
+ # add data associated to the page created
+ if panel is not None:
+ self._manager.store_data(uid=panel.uid,
+ data_list=list_data,
+ caption=panel.window_caption)
+ panel.reset_page(state=state)
+ panel.save_current_state()
+
+ def clear_panel(self):
+ """
+ Clear and close all panels, used by guimanager
+ """
+ # close all panels only when svs file opened
+ self.close_all()
+ self.sim_page = None
+ self.batch_page = None
+
+ def on_close_page(self, event=None):
+ """
+ close page and remove all references to the closed page
+ """
+ selected_page = self.GetPage(self.GetSelection())
+ if self.GetPageCount() == 1:
+ if selected_page.get_data() is not None:
+ if event is not None:
+ event.Veto()
+ return
+ self._close_helper(selected_page=selected_page)
+
+ def close_page_with_data(self, deleted_data):
+ """
+ close a fit page when its data is completely remove from the graph
+ """
+ if deleted_data is None:
+ return
+ for index in range(self.GetPageCount()):
+ selected_page = self.GetPage(index)
+ if hasattr(selected_page, "get_data"):
+ data = selected_page.get_data()
+
+ if data is None:
+ # the fitpanel exists and only the initial fit page is open
+ # with no selected data
+ return
+ if data.id == deleted_data.id:
+ self._close_helper(selected_page)
+ self.DeletePage(index)
+ break
+
+ def set_manager(self, manager):
+ """
+ set panel manager
+
+ :param manager: instance of plugin fitting
+ """
+ self._manager = manager
+ for pos in range(self.GetPageCount()):
+ page = self.GetPage(pos)
+ if page is not None:
+ page.set_manager(self._manager)
+
+ def set_model_list(self, dict):
+ """
+ copy a dictionary of model into its own dictionary
+
+ :param dict: dictionnary made of model name as key and model class
+ as value
+ """
+ self.model_list_box = dict
+
+ def set_model_dict(self, m_dict):
+ """
+ copy a dictionary of model name -> model object
+
+ :param m_dict: dictionary linking model name -> model object
+ """
+
+ def get_current_page(self):
+ """
+ :return: the current page selected
+
+ """
+ return self.GetPage(self.GetSelection())
+
+ def add_sim_page(self, caption="Const & Simul Fit"):
+ """
+ Add the simultaneous fit page
+ """
+ from simfitpage import SimultaneousFitPage
+ page_finder = self._manager.get_page_finder()
+ if caption == "Const & Simul Fit":
+ self.sim_page = SimultaneousFitPage(self, page_finder=page_finder,
+ id=wx.ID_ANY, batch_on=False)
+ self.sim_page.window_caption = caption
+ self.sim_page.window_name = caption
+ self.sim_page.uid = wx.NewId()
+ self.AddPage(self.sim_page, caption, True)
+ self.sim_page.set_manager(self._manager)
+ self.enable_close_button()
+ return self.sim_page
+ else:
+ self.batch_page = SimultaneousFitPage(self, batch_on=True,
+ page_finder=page_finder)
+ self.batch_page.window_caption = caption
+ self.batch_page.window_name = caption
+ self.batch_page.uid = wx.NewId()
+ self.AddPage(self.batch_page, caption, True)
+ self.batch_page.set_manager(self._manager)
+ self.enable_close_button()
+ return self.batch_page
+
+ def add_empty_page(self):
+ """
+ add an empty page
+ """
+ if self.batch_on:
+ from batchfitpage import BatchFitPage
+ panel = BatchFitPage(parent=self)
+ self.batch_page_index += 1
+ caption = "BatchPage" + str(self.batch_page_index)
+ panel.set_index_model(self.batch_page_index)
+ else:
+ # Increment index of fit page
+ from fitpage import FitPage
+ panel = FitPage(parent=self)
+ self.fit_page_index += 1
+ caption = "FitPage" + str(self.fit_page_index)
+ panel.set_index_model(self.fit_page_index)
+ panel.batch_on = self.batch_on
+ panel._set_save_flag(not panel.batch_on)
+ panel.set_model_dictionary(self.model_dictionary)
+ panel.populate_box(model_dict=self.model_list_box)
+ panel.formfactor_combo_init()
+ panel.set_manager(self._manager)
+ panel.window_caption = caption
+ panel.window_name = caption
+ self.AddPage(panel, caption, select=True)
+ self.opened_pages[panel.uid] = panel
+ self._manager.create_fit_problem(panel.uid)
+ self._manager.page_finder[panel.uid].add_data(panel.get_data())
+ self.enable_close_button()
+ panel.on_set_focus(None)
+ return panel
+
+ def enable_close_button(self):
+ """
+ display the close button on tab for more than 1 tabs else remove the
+ close button
+ """
+ if self.GetPageCount() <= 1:
+ style = self.GetWindowStyleFlag()
+ flag = wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ if style & wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB == flag:
+ style = style & ~wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ self.SetWindowStyle(style)
+ else:
+ style = self.GetWindowStyleFlag()
+ flag = wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ if style & wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB != flag:
+ style |= wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB
+ self.SetWindowStyle(style)
+
+ def delete_data(self, data):
+ """
+ Delete the given data
+ """
+ if data.__class__.__name__ != "list":
+ raise ValueError, "Fitpanel delete_data expect list of id"
+ else:
+ for page in self.opened_pages.values():
+ pos = self.GetPageIndex(page)
+ temp_data = page.get_data()
+ if temp_data is not None and temp_data.id in data:
+ self.close_page_with_data(temp_data)
+ if self.sim_page is not None:
+ if len(self.sim_page.model_list) == 0:
+ pos = self.GetPageIndex(self.sim_page)
+ self.SetSelection(pos)
+ self.on_close_page(event=None)
+ temp = self.GetSelection()
+ self.DeletePage(pos)
+ self.sim_page = None
+ self.batch_on = False
+ if self.GetPageCount() == 0:
+ self._manager.on_add_new_page(event=None)
+
+ def set_data_on_batch_mode(self, data_list):
+ """
+ Add all data to a single tab when the application is on Batch mode.
+ However all data in the set of data must be either 1D or 2D type.
+ This method presents option to select the data type before creating a
+ tab.
+ """
+ data_1d_list = []
+ data_2d_list = []
+ group_id_1d = wx.NewId()
+ # separate data into data1d and data2d list
+ for data in data_list:
+ if data.__class__.__name__ == "Data1D":
+ data.group_id = group_id_1d
+ data_1d_list.append(data)
+ if data.__class__.__name__ == "Data2D":
+ data.group_id = wx.NewId()
+ data_2d_list.append(data)
+ page = None
+ for p in self.opened_pages.values():
+ # check if there is an empty page to fill up
+ if not check_data_validity(p.get_data()) and p.batch_on:
+
+ # make sure data get placed in 1D empty tab if data is 1D
+ # else data get place on 2D tab empty tab
+ enable2D = p.get_view_mode()
+ if (data.__class__.__name__ == "Data2D" and enable2D)\
+ or (data.__class__.__name__ == "Data1D" and not enable2D):
+ page = p
+ break
+ if data_1d_list and data_2d_list:
+ # need to warning the user that this batch is a special case
+ from sas.sasgui.perspectives.fitting.fitting_widgets import \
+ BatchDataDialog
+ dlg = BatchDataDialog(self)
+ if dlg.ShowModal() == wx.ID_OK:
+ data_type = dlg.get_data()
+ dlg.Destroy()
+ if page is None:
+ page = self.add_empty_page()
+ if data_type == 1:
+ # user has selected only data1D
+ page.fill_data_combobox(data_1d_list)
+ elif data_type == 2:
+ page.fill_data_combobox(data_2d_list)
+ else:
+ # the batch analysis is canceled
+ dlg.Destroy()
+ return None
+ else:
+ if page is None:
+ page = self.add_empty_page()
+ if data_1d_list and not data_2d_list:
+ # only on type of data
+ page.fill_data_combobox(data_1d_list)
+ elif not data_1d_list and data_2d_list:
+ page.fill_data_combobox(data_2d_list)
+
+ pos = self.GetPageIndex(page)
+ page.batch_on = self.batch_on
+ page._set_save_flag(not page.batch_on)
+ self.SetSelection(pos)
+ self.opened_pages[page.uid] = page
+ return page
+
+ def set_data(self, data_list):
+ """
+ Add a fitting page on the notebook contained by fitpanel
+
+ :param data_list: data to fit
+
+ :return panel : page just added for further used.
+ is used by fitting module
+
+ """
+ if not data_list:
+ return None
+ if self.batch_on:
+ return self.set_data_on_batch_mode(data_list)
+ else:
+ data = None
+ try:
+ data = data_list[0]
+ except Exception:
+ # for 'fitv' files
+ data_list = [data]
+ data = data_list[0]
+
+ if data is None:
+ return None
+ for page in self.opened_pages.values():
+ # check if the selected data existing in the fitpanel
+ pos = self.GetPageIndex(page)
+ if not check_data_validity(page.get_data()) and not page.batch_on:
+ # make sure data get placed in 1D empty tab if data is 1D
+ # else data get place on 2D tab empty tab
+ enable2D = page.get_view_mode()
+ if (data.__class__.__name__ == "Data2D" and enable2D)\
+ or (data.__class__.__name__ == "Data1D" and not enable2D):
+ page.batch_on = self.batch_on
+ page._set_save_flag(not page.batch_on)
+ page.fill_data_combobox(data_list)
+ # caption = "FitPage" + str(self.fit_page_index)
+ self.SetPageText(pos, page.window_caption)
+ self.SetSelection(pos)
+ return page
+ # create new page and add data
+ page = self.add_empty_page()
+ pos = self.GetPageIndex(page)
+ page.fill_data_combobox(data_list)
+ self.opened_pages[page.uid] = page
+ self.SetSelection(pos)
+ return page
+
+ def _onGetstate(self, event):
+ """
+ copy the state of a page
+ """
+ page = event.page
+ if page.uid in self.fit_page_name:
+ self.fit_page_name[page.uid].appendItem(page.createMemento())
+
+ def _onUndo(self, event):
+ """
+ return the previous state of a given page is available
+ """
+ page = event.page
+ if page.uid in self.fit_page_name:
+ if self.fit_page_name[page.uid].getCurrentPosition() == 0:
+ state = None
+ else:
+ state = self.fit_page_name[page.uid].getPreviousItem()
+ page._redo.Enable(True)
+ page.reset_page(state)
+
+ def _onRedo(self, event):
+ """
+ return the next state available
+ """
+ page = event.page
+ if page.uid in self.fit_page_name:
+ length = len(self.fit_page_name[page.uid])
+ if self.fit_page_name[page.uid].getCurrentPosition() == length - 1:
+ state = None
+ page._redo.Enable(False)
+ page._redo.Enable(True)
+ else:
+ state = self.fit_page_name[page.uid].getNextItem()
+ page.reset_page(state)
+
+ def _close_helper(self, selected_page):
+ """
+ Delete the given page from the notebook
+ """
+ # remove hint page
+ # if selected_page == self.hint_page:
+ # return
+ # removing sim_page
+ if selected_page == self.sim_page:
+ self._manager.sim_page = None
+ return
+ if selected_page == self.batch_page:
+ self._manager.batch_page = None
+ return
+ # closing other pages
+ state = selected_page.createMemento()
+ page_finder = self._manager.get_page_finder()
+ # removing fit page
+ data = selected_page.get_data()
+ # Don' t remove plot for 2D
+ flag = True
+ if data.__class__.__name__ == 'Data2D':
+ flag = False
+ if selected_page in page_finder:
+ # Delete the name of the page into the list of open page
+ for uid, list in self.opened_pages.iteritems():
+ # Don't return any panel is the exact same page is created
+ if flag and selected_page.uid == uid:
+ self._manager.remove_plot(uid, theory=False)
+ break
+ del page_finder[selected_page]
+
+ # Delete the name of the page into the list of open page
+ for uid, list in self.opened_pages.iteritems():
+ # Don't return any panel is the exact same page is created
+ if selected_page.uid == uid:
+ del self.opened_pages[selected_page.uid]
+ break
+ # remove the check box link to the model name of the selected_page
+ try:
+ self.sim_page.draw_page()
+ except:
+ # that page is already deleted no need to remove check box on
+ # non existing page
+ pass
+ try:
+ self.batch_page.draw_page()
+ except:
+ # that page is already deleted no need to remove check box on
+ # non existing page
+ pass
diff --git a/src/sas/sasgui/perspectives/fitting/fitproblem.py b/src/sas/sasgui/perspectives/fitting/fitproblem.py
new file mode 100644
index 0000000..14a2e0b
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/fitproblem.py
@@ -0,0 +1,752 @@
+"""
+Inferface containing information to store data, model, range of data, etc...
+and retreive this information. This is an inferface
+for a fitProblem i.e relationship between data and model.
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+import copy
+from sas.sascalc.data_util.qsmearing import smear_selection
+
+class FitProblemComponent(object):
+ """
+ Inferface containing information to store data, model, range of data, etc...
+ and retreive this information. This is an inferface
+ for a fitProblem i.e relationship between data and model.
+ """
+ def enable_smearing(self, flag=False):
+ """
+ :param flag: bool.When flag is 1 get the computer smear value. When
+ flag is 0 ingore smear value.
+ """
+
+ def get_smearer(self):
+ """
+ return smear object
+ """
+ def save_model_name(self, name):
+ """
+ """
+
+ def get_name(self):
+ """
+ """
+
+ def set_model(self, model):
+ """
+ associates each model with its new created name
+ :param model: model selected
+ :param name: name created for model
+ """
+
+ def get_model(self):
+ """
+ :return: saved model
+ """
+
+ def set_residuals(self, residuals):
+ """
+ save a copy of residual
+ :param data: data selected
+ """
+
+ def get_residuals(self):
+ """
+ :return: residuals
+ """
+
+ def set_theory_data(self, data):
+ """
+ save a copy of the data select to fit
+ :param data: data selected
+ """
+
+ def get_theory_data(self):
+ """
+ :return: list of data dList
+ """
+
+ def set_fit_data(self, data):
+ """
+ Store of list of data and create by create new fitproblem of each data
+ id, if there was existing information about model, this information
+ get copy to the new fitproblem
+ :param data: list of data selected
+ """
+
+ def get_fit_data(self):
+ """
+ """
+
+ def set_model_param(self, name, value=None):
+ """
+ Store the name and value of a parameter of this fitproblem's model
+ :param name: name of the given parameter
+ :param value: value of that parameter
+ """
+
+ def set_param2fit(self, list):
+ """
+ Store param names to fit (checked)
+ :param list: list of the param names
+ """
+
+ def get_param2fit(self):
+ """
+ return the list param names to fit
+ """
+
+ def get_model_param(self):
+ """
+ return list of couple of parameter name and value
+ """
+
+ def schedule_tofit(self, schedule=0):
+ """
+ set schedule to true to decide if this fit must be performed
+ """
+
+ def get_scheduled(self):
+ """
+ return true or false if a problem as being schedule for fitting
+ """
+
+ def set_range(self, qmin=None, qmax=None):
+ """
+ set fitting range
+ """
+
+ def get_range(self):
+ """
+ :return: fitting range
+ """
+
+ def set_weight(self, flag=None):
+ """
+ set fitting range
+ """
+
+ def get_weight(self):
+ """
+ get fitting weight
+ """
+
+ def clear_model_param(self):
+ """
+ clear constraint info
+ """
+
+ def set_fit_tab_caption(self, caption):
+ """
+ store the caption of the page associated with object
+ """
+
+ def get_fit_tab_caption(self):
+ """
+ Return the caption of the page associated with object
+ """
+
+ def set_graph_id(self, id):
+ """
+ Set graph id (from data_group_id at the time the graph produced)
+ """
+
+ def get_graph_id(self):
+ """
+ Get graph_id
+ """
+
+ def set_result(self, result):
+ """
+ """
+
+ def get_result(self):
+ """
+ get result
+ """
+
+
+class FitProblemDictionary(FitProblemComponent, dict):
+ """
+ This module implements a dictionary of fitproblem objects
+ """
+ def __init__(self):
+ FitProblemComponent.__init__(self)
+ dict.__init__(self)
+ ## the current model
+ self.model = None
+ ## if 1 this fit problem will be selected to fit , if 0
+ ## it will not be selected for fit
+ self.schedule = 0
+ ##list containing parameter name and value
+ self.list_param = []
+ ## fitting range
+ self.qmin = None
+ self.qmax = None
+ self.graph_id = None
+ self._smear_on = False
+ self.scheduled = 0
+ self.fit_tab_caption = ''
+ self.nbr_residuals_computed = 0
+ self.batch_inputs = {}
+ self.batch_outputs = {}
+
+ def enable_smearing(self, flag=False, fid=None):
+ """
+ :param flag: bool.When flag is 1 get the computer smear value. When
+ flag is 0 ingore smear value.
+ """
+ self._smear_on = flag
+ if fid is None:
+ for value in self.itervalues():
+ value.enable_smearing(flag)
+ else:
+ if fid in self.iterkeys():
+ self[fid].enable_smearing(flag)
+
+ def set_smearer(self, smearer, fid=None):
+ """
+ save reference of smear object on fitdata
+ :param smear: smear object from DataLoader
+ """
+ if fid is None:
+ for value in self.itervalues():
+ value.set_smearer(smearer)
+ else:
+ if fid in self.iterkeys():
+ self[fid].set_smearer(smearer)
+
+ def get_smearer(self, fid=None):
+ """
+ return smear object
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_smearer()
+
+ def save_model_name(self, name, fid=None):
+ """
+ """
+ if fid is None:
+ for value in self.itervalues():
+ value.save_model_name(name)
+ else:
+ if fid in self.iterkeys():
+ self[fid].save_model_name(name)
+
+ def get_name(self, fid=None):
+ """
+ """
+ result = []
+ if fid is None:
+ for value in self.itervalues():
+ result.append(value.get_name())
+ else:
+ if fid in self.iterkeys():
+ result.append(self[fid].get_name())
+ return result
+
+ def set_model(self, model, fid=None):
+ """
+ associates each model with its new created name
+ :param model: model selected
+ :param name: name created for model
+ """
+ self.model = model
+ if fid is None:
+ for value in self.itervalues():
+ value.set_model(self.model)
+ else:
+ if fid in self.iterkeys():
+ self[fid].set_model(self.model)
+
+ def get_model(self, fid):
+ """
+ :return: saved model
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_model()
+
+ def set_fit_tab_caption(self, caption):
+ """
+ store the caption of the page associated with object
+ """
+ self.fit_tab_caption = caption
+
+ def get_fit_tab_caption(self):
+ """
+ Return the caption of the page associated with object
+ """
+ return self.fit_tab_caption
+
+ def set_residuals(self, residuals, fid):
+ """
+ save a copy of residual
+ :param data: data selected
+ """
+ if fid in self.iterkeys():
+ self[fid].set_residuals(residuals)
+
+ def get_residuals(self, fid):
+ """
+ :return: residuals
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_residuals()
+
+ def set_theory_data(self, fid, data=None):
+ """
+ save a copy of the data select to fit
+ :param data: data selected
+ """
+ if fid in self.iterkeys():
+ self[fid].set_theory_data(data)
+
+ def get_theory_data(self, fid):
+ """
+ :return: list of data dList
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_theory_data()
+
+ def add_data(self, data):
+ """
+ Add data to the current dictionary of fitproblem. if data id does not
+ exist create a new fit problem.
+ :note: only data changes in the fit problem
+ """
+ if data.id not in self.iterkeys():
+ self[data.id] = FitProblem()
+ self[data.id].set_fit_data(data)
+
+ def set_fit_data(self, data):
+ """
+ save a copy of the data select to fit
+ :param data: data selected
+
+ """
+ self.clear()
+ if data is None:
+ data = []
+ for d in data:
+ if (d is not None):
+ if (d.id not in self.iterkeys()):
+ self[d.id] = FitProblem()
+ self[d.id].set_fit_data(d)
+ self[d.id].set_model(self.model)
+ self[d.id].set_range(self.qmin, self.qmax)
+
+ def get_fit_data(self, fid):
+ """
+ return data for the given fitproblem id
+ :param fid: key representing a fitproblem, usually extract from data id
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_fit_data()
+
+ def set_model_param(self, name, value=None, fid=None):
+ """
+ Store the name and value of a parameter of this fitproblem's model
+ :param name: name of the given parameter
+ :param value: value of that parameter
+ """
+ if fid is None:
+ for value in self.itervalues():
+ value.set_model_param(name, value)
+ else:
+ if fid in self.iterkeys():
+ self[fid].set_model_param(name, value)
+
+ def get_model_param(self, fid):
+ """
+ return list of couple of parameter name and value
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_model_param()
+
+ def set_param2fit(self, list):
+ """
+ Store param names to fit (checked)
+ :param list: list of the param names
+ """
+ self.list_param2fit = list
+
+ def get_param2fit(self):
+ """
+ return the list param names to fit
+ """
+ return self.list_param2fit
+
+ def schedule_tofit(self, schedule=0):
+ """
+ set schedule to true to decide if this fit must be performed
+ """
+ self.scheduled = schedule
+ for value in self.itervalues():
+ value.schedule_tofit(schedule)
+
+ def get_scheduled(self):
+ """
+ return true or false if a problem as being schedule for fitting
+ """
+ return self.scheduled
+
+ def set_range(self, qmin=None, qmax=None, fid=None):
+ """
+ set fitting range
+ """
+ self.qmin = qmin
+ self.qmax = qmax
+ if fid is None:
+ for value in self.itervalues():
+ value.set_range(self.qmin, self.qmax)
+ else:
+ if fid in self.iterkeys():
+ self[fid].value.set_range(self.qmin, self.qmax)
+
+ def get_range(self, fid):
+ """
+ :return: fitting range
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_range()
+
+ def set_weight(self, is2d, flag=None, fid=None):
+ """
+ fit weight
+ """
+ if fid is None:
+ for value in self.itervalues():
+ value.set_weight(flag=flag, is2d=is2d)
+ else:
+ if fid in self.iterkeys():
+ self[fid].set_weight(flag=flag, is2d=is2d)
+
+ def get_weight(self, fid=None):
+ """
+ return fit weight
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_weight()
+
+ def clear_model_param(self, fid=None):
+ """
+ clear constraint info
+ """
+ if fid is None:
+ for value in self.itervalues():
+ value.clear_model_param()
+ else:
+ if fid in self.iterkeys():
+ self[fid].clear_model_param()
+
+ def get_fit_problem(self):
+ """
+ return fitproblem contained in this dictionary
+ """
+ return self.itervalues()
+
+ def set_result(self, result, fid):
+ """
+ """
+ if fid in self.iterkeys():
+ self[fid].set_result(result)
+
+ def set_batch_result(self, batch_inputs, batch_outputs):
+ """
+ set a list of result
+ """
+ self.batch_inputs = batch_inputs
+ self.batch_outputs = batch_outputs
+
+ def get_result(self, fid):
+ """
+ get result
+ """
+ if fid in self.iterkeys():
+ return self[fid].get_result()
+
+ def get_batch_result(self):
+ """
+ get result
+ """
+ return self.batch_inputs, self.batch_outputs
+
+ def set_graph_id(self, id):
+ """
+ Set graph id (from data_group_id at the time the graph produced)
+ """
+ self.graph_id = id
+
+ def get_graph_id(self):
+ """
+ Get graph_id
+ """
+ return self.graph_id
+
+
+class FitProblem(FitProblemComponent):
+ """
+ FitProblem class allows to link a model with the new name created in _on_model,
+ a name theory created with that model and the data fitted with the model.
+ FitProblem is mostly used as value of the dictionary by fitting module.
+ """
+ def __init__(self):
+ FitProblemComponent.__init__(self)
+ """
+ contains information about data and model to fit
+ """
+ ## data used for fitting
+ self.fit_data = None
+ self.theory_data = None
+ self.residuals = None
+ # original data: should not be modified
+ self.original_data = None
+ ## the current model
+ self.model = None
+ ## if 1 this fit problem will be selected to fit , if 0
+ ## it will not be selected for fit
+ self.schedule = 0
+ ##list containing parameter name and value
+ self.list_param = []
+ ## smear object to smear or not data1D
+ self.smearer_computed = False
+ self.smearer_enable = False
+ self.smearer_computer_value = None
+ ## fitting range
+ self.qmin = None
+ self.qmax = None
+ # fit weight
+ self.weight = None
+ self.result = None
+
+ def enable_smearing(self, flag=False):
+ """
+ :param flag: bool.When flag is 1 get the computer smear value. When
+ flag is 0 ingore smear value.
+ """
+ self.smearer_enable = flag
+
+ def set_smearer(self, smearer):
+ """
+ save reference of smear object on fitdata
+
+ :param smear: smear object from DataLoader
+
+ """
+ self.smearer_computer_value = smearer
+
+ def get_smearer(self):
+ """
+ return smear object
+ """
+ if not self.smearer_enable:
+ return None
+ if not self.smearer_computed:
+ #smeari_selection should be call only once per fitproblem
+ self.smearer_computer_value = smear_selection(self.fit_data,
+ self.model)
+ self.smearer_computed = True
+ return self.smearer_computer_value
+
+ def save_model_name(self, name):
+ """
+ """
+ self.name_per_page = name
+
+ def get_name(self):
+ """
+ """
+ return self.name_per_page
+
+ def set_model(self, model):
+ """
+ associates each model with its new created name
+ :param model: model selected
+ :param name: name created for model
+ """
+ self.model = model
+ self.smearer_computer_value = smear_selection(self.fit_data,
+ self.model)
+ self.smearer_computed = True
+
+ def get_model(self):
+ """
+ :return: saved model
+ """
+ return self.model
+
+ def set_residuals(self, residuals):
+ """
+ save a copy of residual
+ :param data: data selected
+ """
+ self.residuals = residuals
+
+ def get_residuals(self):
+ """
+ :return: residuals
+ """
+ return self.residuals
+
+ def set_theory_data(self, data):
+ """
+ save a copy of the data select to fit
+
+ :param data: data selected
+
+ """
+ self.theory_data = copy.deepcopy(data)
+
+ def get_theory_data(self):
+ """
+ :return: theory generated with the current model and data of this class
+ """
+ return self.theory_data
+
+ def set_fit_data(self, data):
+ """
+ Store data associated with this class
+ :param data: list of data selected
+ """
+ self.original_data = None
+ self.fit_data = None
+ # original data: should not be modified
+ self.original_data = data
+ # fit data: used for fit and can be modified for convenience
+ self.fit_data = copy.deepcopy(data)
+ self.smearer_computer_value = smear_selection(self.fit_data,
+ self.model)
+ self.smearer_computed = True
+ self.result = None
+
+ def get_fit_data(self):
+ """
+ :return: data associate with this class
+ """
+ return self.fit_data
+
+ def get_origin_data(self):
+ """
+ """
+ return self.original_data
+
+ def set_weight(self, is2d, flag=None):
+ """
+ Received flag and compute error on data.
+ :param flag: flag to transform error of data.
+ :param is2d: flag to distinguish 1D to 2D Data
+ """
+ from sas.sasgui.perspectives.fitting.utils import get_weight
+ # send original data for weighting
+ self.weight = get_weight(data=self.original_data, is2d=is2d, flag=flag)
+ if is2d:
+ self.fit_data.err_data = self.weight
+ else:
+ self.fit_data.dy = self.weight
+
+ def get_weight(self):
+ """
+ returns weight array
+ """
+ return self.weight
+
+ def set_param2fit(self, list):
+ """
+ Store param names to fit (checked)
+ :param list: list of the param names
+ """
+ self.list_param2fit = list
+
+ def get_param2fit(self):
+ """
+ return the list param names to fit
+ """
+ return self.list_param2fit
+
+ def set_model_param(self, name, value=None):
+ """
+ Store the name and value of a parameter of this fitproblem's model
+ :param name: name of the given parameter
+ :param value: value of that parameter
+ """
+ self.list_param.append([name, value])
+
+ def get_model_param(self):
+ """
+ return list of couple of parameter name and value
+ """
+ return self.list_param
+
+ def schedule_tofit(self, schedule=0):
+ """
+ set schedule to true to decide if this fit must be performed
+ """
+ self.schedule = schedule
+
+ def get_scheduled(self):
+ """
+ return true or false if a problem as being schedule for fitting
+ """
+ return self.schedule
+
+ def set_range(self, qmin=None, qmax=None):
+ """
+ set fitting range
+ :param qmin: minimum value to consider for the fit range
+ :param qmax: maximum value to consider for the fit range
+ """
+ self.qmin = qmin
+ self.qmax = qmax
+
+ def get_range(self):
+ """
+ :return: fitting range
+
+ """
+ return self.qmin, self.qmax
+
+ def clear_model_param(self):
+ """
+ clear constraint info
+ """
+ self.list_param = []
+
+ def set_fit_tab_caption(self, caption):
+ """
+ """
+ self.fit_tab_caption = str(caption)
+
+ def get_fit_tab_caption(self):
+ """
+ """
+ return self.fit_tab_caption
+
+ def set_graph_id(self, id):
+ """
+ Set graph id (from data_group_id at the time the graph produced)
+ """
+ self.graph_id = id
+
+ def get_graph_id(self):
+ """
+ Get graph_id
+ """
+ return self.graph_id
+
+ def set_result(self, result):
+ """
+ """
+ self.result = result
+
+ def get_result(self):
+ """
+ get result
+ """
+ return self.result
diff --git a/src/sas/sasgui/perspectives/fitting/fitting.py b/src/sas/sasgui/perspectives/fitting/fitting.py
new file mode 100755
index 0000000..bdb2103
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/fitting.py
@@ -0,0 +1,2163 @@
+"""
+ Fitting perspective
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+import re
+import sys
+import os
+import wx
+import logging
+import numpy
+import time
+from copy import deepcopy
+import traceback
+
+from sas.sascalc.dataloader.loader import Loader
+from sas.sasgui.guiframe.dataFitting import Data2D
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.dataFitting import check_data_validity
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import EVT_SLICER_PANEL
+from sas.sasgui.guiframe.events import EVT_SLICER_PARS_UPDATE
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.guiframe.plugin_base import PluginBase
+from sas.sasgui.guiframe.data_processor import BatchCell
+from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
+from sas.sasgui.perspectives.fitting.console import ConsoleUpdate
+from sas.sasgui.perspectives.fitting.fitproblem import FitProblemDictionary
+from sas.sasgui.perspectives.fitting.fitpanel import FitPanel
+from sas.sasgui.perspectives.fitting.resultpanel import ResultPanel, PlotResultEvent
+
+from sas.sasgui.perspectives.fitting.fit_thread import FitThread
+from sas.sasgui.perspectives.fitting.pagestate import Reader
+from sas.sasgui.perspectives.fitting.fitpage import Chi2UpdateEvent
+from sas.sasgui.perspectives.calculator.model_editor import TextDialog
+from sas.sasgui.perspectives.calculator.model_editor import EditorWindow
+from sas.sasgui.guiframe.gui_manager import MDIFrame
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+from sas.sasgui.perspectives.fitting.gpu_options import GpuOptions
+
+from . import models
+
+MAX_NBR_DATA = 4
+
+(PageInfoEvent, EVT_PAGE_INFO) = wx.lib.newevent.NewEvent()
+
+
+if sys.platform == "win32":
+ ON_MAC = False
+else:
+ ON_MAC = True
+
+import bumps.options
+from bumps.gui.fit_dialog import show_fit_config
+try:
+ from bumps.gui.fit_dialog import EVT_FITTER_CHANGED
+except ImportError:
+ # CRUFT: bumps 0.7.5.8 and below
+ EVT_FITTER_CHANGED = None # type: wx.PyCommandEvent
+
+class Plugin(PluginBase):
+ """
+ Fitting plugin is used to perform fit
+ """
+ def __init__(self):
+ PluginBase.__init__(self, name="Fitting")
+
+ #list of panel to send to guiframe
+ self.mypanels = []
+ # reference to the current running thread
+ self.calc_2D = None
+ self.calc_1D = None
+
+ self.color_dict = {}
+
+ self.fit_thread_list = {}
+ self.residuals = None
+ self.weight = None
+ self.fit_panel = None
+ self.plot_panel = None
+ # Start with a good default
+ self.elapsed = 0.022
+ self.fit_panel = None
+ ## dictionary of page closed and id
+ self.closed_page_dict = {}
+ ## Relative error desired in the sum of squares (float)
+ self.batch_reset_flag = True
+ #List of selected data
+ self.selected_data_list = []
+ ## list of slicer panel created to display slicer parameters and results
+ self.slicer_panels = []
+ # model 2D view
+ self.model2D_id = None
+ #keep reference of the simultaneous fit page
+ self.sim_page = None
+ self.sim_menu = None
+ self.batch_page = None
+ self.batch_menu = None
+ self.index_model = 0
+ self.test_model_color = None
+ #Create a reader for fit page's state
+ self.state_reader = None
+ self._extensions = '.fitv'
+ self.menu1 = None
+ self.new_model_frame = None
+
+ self.temp_state = []
+ self.state_index = 0
+ self.sfile_ext = None
+ # take care of saving data, model and page associated with each other
+ self.page_finder = {}
+ # Log startup
+ logging.info("Fitting plug-in started")
+ self.batch_capable = self.get_batch_capable()
+
+ def get_batch_capable(self):
+ """
+ Check if the plugin has a batch capability
+ """
+ return True
+
+ def create_fit_problem(self, page_id):
+ """
+ Given an ID create a fitproblem container
+ """
+ self.page_finder[page_id] = FitProblemDictionary()
+
+ def delete_fit_problem(self, page_id):
+ """
+ Given an ID create a fitproblem container
+ """
+ if page_id in self.page_finder.iterkeys():
+ del self.page_finder[page_id]
+
+ def add_color(self, color, id):
+ """
+ adds a color as a key with a plot id as its value to a dictionary
+ """
+ self.color_dict[id] = color
+
+ def on_batch_selection(self, flag):
+ """
+ switch the the notebook of batch mode or not
+ """
+ self.batch_on = flag
+ if self.fit_panel is not None:
+ self.fit_panel.batch_on = self.batch_on
+
+ def populate_menu(self, owner):
+ """
+ Create a menu for the Fitting plug-in
+
+ :param id: id to create a menu
+ :param owner: owner of menu
+
+ :return: list of information to populate the main menu
+
+ """
+ #Menu for fitting
+ self.menu1 = wx.Menu()
+ id1 = wx.NewId()
+ simul_help = "Add new fit panel"
+ self.menu1.Append(id1, '&New Fit Page', simul_help)
+ wx.EVT_MENU(owner, id1, self.on_add_new_page)
+ self.menu1.AppendSeparator()
+ self.id_simfit = wx.NewId()
+ simul_help = "Constrained or Simultaneous Fit"
+ self.menu1.Append(self.id_simfit, '&Constrained or Simultaneous Fit', simul_help)
+ wx.EVT_MENU(owner, self.id_simfit, self.on_add_sim_page)
+ self.sim_menu = self.menu1.FindItemById(self.id_simfit)
+ self.sim_menu.Enable(False)
+ #combined Batch
+ self.id_batchfit = wx.NewId()
+ batch_help = "Combined Batch"
+ self.menu1.Append(self.id_batchfit, '&Combine Batch Fit', batch_help)
+ wx.EVT_MENU(owner, self.id_batchfit, self.on_add_sim_page)
+ self.batch_menu = self.menu1.FindItemById(self.id_batchfit)
+ self.batch_menu.Enable(False)
+
+ self.menu1.AppendSeparator()
+ self.id_bumps_options = wx.NewId()
+ bopts_help = "Fitting options"
+ self.menu1.Append(self.id_bumps_options, 'Fit &Options', bopts_help)
+ wx.EVT_MENU(owner, self.id_bumps_options, self.on_bumps_options)
+ self.bumps_options_menu = self.menu1.FindItemById(self.id_bumps_options)
+ self.bumps_options_menu.Enable(True)
+
+ self.id_gpu_options_panel = wx.NewId()
+ self.menu1.Append(self.id_gpu_options_panel, "OpenCL Options", "Choose OpenCL driver or turn it off")
+ wx.EVT_MENU(owner, self.id_gpu_options_panel, self.on_gpu_options)
+
+ self.id_result_panel = wx.NewId()
+ self.menu1.Append(self.id_result_panel, "Fit Results", "Show fit results panel")
+ wx.EVT_MENU(owner, self.id_result_panel, self.on_fit_results)
+ self.menu1.AppendSeparator()
+
+ self.id_reset_flag = wx.NewId()
+ resetf_help = "BatchFit: If checked, the initial param values will be "
+ resetf_help += "propagated from the previous results. "
+ resetf_help += "Otherwise, the same initial param values will be used "
+ resetf_help += "for all fittings."
+ self.menu1.AppendCheckItem(self.id_reset_flag,
+ "Chain Fitting [BatchFit Only]",
+ resetf_help)
+ wx.EVT_MENU(owner, self.id_reset_flag, self.on_reset_batch_flag)
+ chain_menu = self.menu1.FindItemById(self.id_reset_flag)
+ chain_menu.Check(not self.batch_reset_flag)
+ chain_menu.Enable(self.batch_on)
+
+ self.menu1.AppendSeparator()
+ self.edit_model_menu = wx.Menu()
+ # Find and put files name in menu
+ try:
+ self.set_edit_menu(owner=owner)
+ except:
+ raise
+
+ self.id_edit = wx.NewId()
+ self.menu1.AppendMenu(self.id_edit, "Plugin Model Operations",
+ self.edit_model_menu)
+ #create menubar items
+ return [(self.menu1, self.sub_menu)]
+
+ def edit_custom_model(self, event):
+ """
+ Get the python editor panel
+ """
+ event_id = event.GetId()
+ label = self.edit_menu.GetLabel(event_id)
+ from sas.sasgui.perspectives.calculator.pyconsole import PyConsole
+ filename = os.path.join(models.find_plugins_dir(), label)
+ frame = PyConsole(parent=self.parent, manager=self,
+ panel=self.fit_panel,
+ title='Advanced Plugin Model Editor',
+ filename=filename)
+ self.put_icon(frame)
+ frame.Show(True)
+
+ def delete_custom_model(self, event):
+ """
+ Delete custom model file
+ """
+ event_id = event.GetId()
+ label = self.delete_menu.GetLabel(event_id)
+ toks = os.path.splitext(label)
+ path = os.path.join(models.find_plugins_dir(), toks[0])
+ try:
+ for ext in ['.py', '.pyc']:
+ p_path = path + ext
+ os.remove(p_path)
+ self.update_custom_combo()
+ if os.path.isfile(p_path):
+ msg = "Sorry! unable to delete the default "
+ msg += "plugin model... \n"
+ msg += "Please manually remove the files (.py, .pyc) "
+ msg += "in the 'plugin_models' folder \n"
+ msg += "inside of the SasView application, "
+ msg += "and try it again."
+ wx.MessageBox(msg, 'Info')
+ #evt = StatusEvent(status=msg, type='stop', info='warning')
+ #wx.PostEvent(self.parent, evt)
+ else:
+ self.delete_menu.Delete(event_id)
+ for item in self.edit_menu.GetMenuItems():
+ if item.GetLabel() == label:
+ self.edit_menu.DeleteItem(item)
+ msg = "The plugin model, %s, has been deleted." % label
+ evt = StatusEvent(status=msg, type='stop', info='info')
+ wx.PostEvent(self.parent, evt)
+ break
+ except Exception:
+ import traceback; traceback.print_exc()
+ msg = 'Delete Error: \nCould not delete the file; Check if in use.'
+ wx.MessageBox(msg, 'Error')
+
+ def make_sum_model(self, event):
+ """
+ Edit summodel template and make one
+ """
+ event_id = event.GetId()
+ model_manager = models.ModelManager()
+ model_list = model_manager.get_model_name_list()
+ plug_dir = models.find_plugins_dir()
+ textdial = TextDialog(None, self, wx.ID_ANY, 'Easy Sum/Multi(p1, p2) Editor',
+ model_list, plug_dir)
+ self.put_icon(textdial)
+ textdial.ShowModal()
+ textdial.Destroy()
+
+ def make_new_model(self, event):
+ """
+ Make new model
+ """
+ if self.new_model_frame != None:
+ self.new_model_frame.Show(False)
+ self.new_model_frame.Show(True)
+ else:
+ event_id = event.GetId()
+ dir_path = models.find_plugins_dir()
+ title = "New Plugin Model Function"
+ self.new_model_frame = EditorWindow(parent=self, base=self,
+ path=dir_path, title=title)
+ self.put_icon(self.new_model_frame)
+ self.new_model_frame.Show(True)
+
+ def load_plugin_models(self, event):
+ """
+ Update of models in plugin_models folder
+ """
+ event_id = event.GetId()
+ self.update_custom_combo()
+
+ def update_custom_combo(self):
+ """
+ Update custom model list in the fitpage combo box
+ """
+ custom_model = 'Plugin Models'
+ try:
+ # Update edit menus
+ self.set_edit_menu_helper(self.parent, self.edit_custom_model)
+ self.set_edit_menu_helper(self.parent, self.delete_custom_model)
+ temp = self.fit_panel.reset_pmodel_list()
+ if temp:
+ # Set the new plugin model list for all fit pages
+ for uid, page in self.fit_panel.opened_pages.iteritems():
+ if hasattr(page, "formfactorbox"):
+ page.model_list_box = temp
+ current_val = page.formfactorbox.GetLabel()
+ #if page.plugin_rbutton.GetValue():
+ mod_cat = page.categorybox.GetStringSelection()
+ if mod_cat == custom_model:
+ #pos = page.formfactorbox.GetSelection()
+ page._show_combox_helper()
+ new_val = page.formfactorbox.GetLabel()
+ if current_val != new_val and new_val != '':
+ page.formfactorbox.SetLabel(new_val)
+ else:
+ page.formfactorbox.SetLabel(current_val)
+ except:
+ logging.error("update_custom_combo: %s", sys.exc_value)
+
+ def set_edit_menu(self, owner):
+ """
+ Set list of the edit model menu labels
+ """
+ wx_id = wx.NewId()
+ #new_model_menu = wx.Menu()
+ self.edit_model_menu.Append(wx_id, 'New Plugin Model',
+ 'Add a new model function')
+ wx.EVT_MENU(owner, wx_id, self.make_new_model)
+
+ wx_id = wx.NewId()
+ self.edit_model_menu.Append(wx_id, 'Sum|Multi(p1, p2)',
+ 'Sum of two model functions')
+ wx.EVT_MENU(owner, wx_id, self.make_sum_model)
+
+ e_id = wx.NewId()
+ self.edit_menu = wx.Menu()
+ self.edit_model_menu.AppendMenu(e_id,
+ 'Advanced Plugin Editor', self.edit_menu)
+ self.set_edit_menu_helper(owner, self.edit_custom_model)
+
+ d_id = wx.NewId()
+ self.delete_menu = wx.Menu()
+ self.edit_model_menu.AppendMenu(d_id,
+ 'Delete Plugin Models', self.delete_menu)
+ self.set_edit_menu_helper(owner, self.delete_custom_model)
+
+ wx_id = wx.NewId()
+ self.edit_model_menu.Append(wx_id, 'Load Plugin Models',
+ '(Re)Load all models present in user plugin_models folder')
+ wx.EVT_MENU(owner, wx_id, self.load_plugin_models)
+
+ def set_edit_menu_helper(self, owner=None, menu=None):
+ """
+ help for setting list of the edit model menu labels
+ """
+ if menu == None:
+ menu = self.edit_custom_model
+ list_fnames = os.listdir(models.find_plugins_dir())
+ list_fnames.sort()
+ for f_item in list_fnames:
+ name = os.path.basename(f_item)
+ toks = os.path.splitext(name)
+ if toks[-1] == '.py' and not toks[0] == '__init__':
+ if menu == self.edit_custom_model:
+ if toks[0] == 'easy_sum_of_p1_p2':
+ continue
+ submenu = self.edit_menu
+ else:
+ submenu = self.delete_menu
+ has_file = False
+ for item in submenu.GetMenuItems():
+ if name == submenu.GetLabel(item.GetId()):
+ has_file = True
+ if not has_file:
+ wx_id = wx.NewId()
+ submenu.Append(wx_id, name)
+ wx.EVT_MENU(owner, wx_id, menu)
+ has_file = False
+
+ def put_icon(self, frame):
+ """
+ Put icon in the frame title bar
+ """
+ if hasattr(frame, "IsIconized"):
+ if not frame.IsIconized():
+ try:
+ icon = self.parent.GetIcon()
+ frame.SetIcon(icon)
+ except:
+ pass
+
+ def on_add_sim_page(self, event):
+ """
+ Create a page to access simultaneous fit option
+ """
+ event_id = event.GetId()
+ caption = "Const & Simul Fit"
+ page = self.sim_page
+ if event_id == self.id_batchfit:
+ caption = "Combined Batch"
+ page = self.batch_page
+
+ def set_focus_page(page):
+ page.Show(True)
+ page.Refresh()
+ page.SetFocus()
+ #self.parent._mgr.Update()
+ msg = "%s already opened\n" % str(page.window_caption)
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ if page != None:
+ return set_focus_page(page)
+ if caption == "Const & Simul Fit":
+ self.sim_page = self.fit_panel.add_sim_page(caption=caption)
+ else:
+ self.batch_page = self.fit_panel.add_sim_page(caption=caption)
+
+ def get_context_menu(self, plotpanel=None):
+ """
+ Get the context menu items available for P(r).them allow fitting option
+ for Data2D and Data1D only.
+
+ :param graph: the Graph object to which we attach the context menu
+
+ :return: a list of menu items with call-back function
+
+ :note: if Data1D was generated from Theory1D
+ the fitting option is not allowed
+
+ """
+ self.plot_panel = plotpanel
+ graph = plotpanel.graph
+ fit_option = "Select data for fitting"
+ fit_hint = "Dialog with fitting parameters "
+
+ if graph.selected_plottable not in plotpanel.plots:
+ return []
+ item = plotpanel.plots[graph.selected_plottable]
+ if item.__class__.__name__ is "Data2D":
+ if hasattr(item, "is_data"):
+ if item.is_data:
+ return [[fit_option, fit_hint, self._onSelect]]
+ else:
+ return []
+ return [[fit_option, fit_hint, self._onSelect]]
+ else:
+
+ # if is_data is true , this in an actual data loaded
+ #else it is a data created from a theory model
+ if hasattr(item, "is_data"):
+ if item.is_data:
+ return [[fit_option, fit_hint, self._onSelect]]
+ else:
+ return []
+ return [[fit_option, fit_hint, self._onSelect]]
+ return []
+
+ def get_panels(self, parent):
+ """
+ Create and return a list of panel objects
+ """
+ self.parent = parent
+ #self.parent.Bind(EVT_FITSTATE_UPDATE, self.on_set_state_helper)
+ # Creation of the fit panel
+ self.frame = MDIFrame(self.parent, None, 'None', (100, 200))
+ self.fit_panel = FitPanel(parent=self.frame, manager=self)
+ self.frame.set_panel(self.fit_panel)
+ self._frame_set_helper()
+ self.on_add_new_page(event=None)
+ #Set the manager for the main panel
+ self.fit_panel.set_manager(self)
+ # List of windows used for the perspective
+ self.perspective = []
+ self.perspective.append(self.fit_panel.window_name)
+
+ self.result_frame = MDIFrame(self.parent, None, ResultPanel.window_caption, (220, 200))
+ self.result_panel = ResultPanel(parent=self.result_frame, manager=self)
+ self.perspective.append(self.result_panel.window_name)
+
+ #index number to create random model name
+ self.index_model = 0
+ self.index_theory = 0
+ self.parent.Bind(EVT_SLICER_PANEL, self._on_slicer_event)
+ self.parent.Bind(EVT_SLICER_PARS_UPDATE, self._onEVT_SLICER_PANEL)
+
+ # CRUFT: EVT_FITTER_CHANGED is not None for bumps 0.7.5.9 and above
+ if EVT_FITTER_CHANGED is not None:
+ self.parent.Bind(EVT_FITTER_CHANGED, self.on_fitter_changed)
+ self._set_fitter_label(bumps.options.FIT_CONFIG)
+
+ #self.parent._mgr.Bind(wx.aui.EVT_AUI_PANE_CLOSE,self._onclearslicer)
+ #Create reader when fitting panel are created
+ self.state_reader = Reader(self.set_state)
+ #append that reader to list of available reader
+ loader = Loader()
+ loader.associate_file_reader(".fitv", self.state_reader)
+ #Send the fitting panel to guiframe
+ self.mypanels.append(self.fit_panel)
+ self.mypanels.append(self.result_panel)
+ return self.mypanels
+
+ def clear_panel(self):
+ """
+ """
+ self.fit_panel.clear_panel()
+
+ def delete_data(self, data):
+ """
+ delete the given data from panel
+ """
+ self.fit_panel.delete_data(data)
+
+ def set_data(self, data_list=None):
+ """
+ receive a list of data to fit
+ """
+ if data_list is None:
+ data_list = []
+ selected_data_list = []
+ if self.batch_on:
+ self.add_fit_page(data=data_list)
+ else:
+ if len(data_list) > MAX_NBR_DATA:
+ from fitting_widgets import DataDialog
+ dlg = DataDialog(data_list=data_list, nb_data=MAX_NBR_DATA)
+ if dlg.ShowModal() == wx.ID_OK:
+ selected_data_list = dlg.get_data()
+ dlg.Destroy()
+
+ else:
+ selected_data_list = data_list
+ try:
+ group_id = wx.NewId()
+ for data in selected_data_list:
+ if data is not None:
+ # 2D has no same group_id
+ if data.__class__.__name__ == 'Data2D':
+ group_id = wx.NewId()
+ data.group_id = group_id
+ if group_id not in data.list_group_id:
+ data.list_group_id.append(group_id)
+ self.add_fit_page(data=[data])
+ except:
+ msg = "Fitting set_data: " + str(sys.exc_value)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
+
+ def set_theory(self, theory_list=None):
+ """
+ """
+ #set the model state for a given theory_state:
+ for item in theory_list:
+ try:
+ _, theory_state = item
+ self.fit_panel.set_model_state(theory_state)
+ except Exception:
+ msg = "Fitting: cannot deal with the theory received"
+ evt = StatusEvent(status=msg, info="error")
+ logging.error("set_theory " + msg + "\n" + str(sys.exc_value))
+ wx.PostEvent(self.parent, evt)
+
+ def set_state(self, state=None, datainfo=None, format=None):
+ """
+ Call-back method for the fit page state reader.
+ This method is called when a .fitv/.svs file is loaded.
+
+ : param state: PageState object
+ : param datainfo: data
+ """
+ from pagestate import PageState
+ from simfitpage import SimFitPageState
+ if isinstance(state, PageState):
+ state = state.clone()
+ self.temp_state.append(state)
+ elif isinstance(state, SimFitPageState):
+ state.load_from_save_state(self)
+ else:
+ self.temp_state = []
+ # index to start with for a new set_state
+ self.state_index = 0
+ # state file format
+ self.sfile_ext = format
+
+ self.on_set_state_helper(event=None)
+
+ def on_set_state_helper(self, event=None):
+ """
+ Set_state_helper. This actually sets state
+ after plotting data from state file.
+
+ : event: FitStateUpdateEvent called
+ by dataloader.plot_data from guiframe
+ """
+ if len(self.temp_state) == 0:
+ if self.state_index == 0 and len(self.mypanels) <= 0 \
+ and self.sfile_ext == '.svs':
+ self.temp_state = []
+ self.state_index = 0
+ return
+
+ try:
+ # Load fitting state
+ state = self.temp_state[self.state_index]
+ #panel state should have model selection to set_state
+ if state.formfactorcombobox != None:
+ #set state
+ data = self.parent.create_gui_data(state.data)
+ data.group_id = state.data.group_id
+ self.parent.add_data(data_list={data.id: data})
+ wx.PostEvent(self.parent, NewPlotEvent(plot=data,
+ title=data.title))
+ #need to be fix later make sure we are sendind guiframe.data
+ #to panel
+ state.data = data
+ page = self.fit_panel.set_state(state)
+ else:
+ #just set data because set_state won't work
+ data = self.parent.create_gui_data(state.data)
+ data.group_id = state.data.group_id
+ self.parent.add_data(data_list={data.id: data})
+ wx.PostEvent(self.parent, NewPlotEvent(plot=data,
+ title=data.title))
+ page = self.add_fit_page([data])
+ caption = page.window_caption
+ self.store_data(uid=page.uid, data_list=page.get_data_list(),
+ caption=caption)
+ self.mypanels.append(page)
+
+ # get ready for the next set_state
+ self.state_index += 1
+
+ #reset state variables to default when all set_state is finished.
+ if len(self.temp_state) == self.state_index:
+
+ self.temp_state = []
+ #self.state_index = 0
+ # Make sure the user sees the fitting panel after loading
+ #self.parent.set_perspective(self.perspective)
+ self.on_perspective(event=None)
+ except:
+ self.state_index = 0
+ self.temp_state = []
+ raise
+
+ def set_param2fit(self, uid, param2fit):
+ """
+ Set the list of param names to fit for fitprobelm
+ """
+ self.page_finder[uid].set_param2fit(param2fit)
+
+ def set_graph_id(self, uid, graph_id):
+ """
+ Set graph_id for fitprobelm
+ """
+ self.page_finder[uid].set_graph_id(graph_id)
+
+ def get_graph_id(self, uid):
+ """
+ Set graph_id for fitprobelm
+ """
+ return self.page_finder[uid].get_graph_id()
+
+ def save_fit_state(self, filepath, fitstate):
+ """
+ save fit page state into file
+ """
+ self.state_reader.write(filename=filepath, fitstate=fitstate)
+
+ def set_fit_weight(self, uid, flag, is2d=False, fid=None):
+ """
+ Set the fit weights of a given page for all
+ its data by default. If fid is provide then set the range
+ only for the data with fid as id
+ :param uid: id corresponding to a fit page
+ :param fid: id corresponding to a fit problem (data, model)
+ :param weight: current dy data
+ """
+ # If we are not dealing with a specific fit problem, then
+ # there is no point setting the weights.
+ if fid is None:
+ return
+ if uid in self.page_finder.keys():
+ self.page_finder[uid].set_weight(flag=flag, is2d=is2d)
+
+ def set_fit_range(self, uid, qmin, qmax, fid=None):
+ """
+ Set the fitting range of a given page for all
+ its data by default. If fid is provide then set the range
+ only for the data with fid as id
+ :param uid: id corresponding to a fit page
+ :param fid: id corresponding to a fit problem (data, model)
+ :param qmin: minimum value of the fit range
+ :param qmax: maximum value of the fit range
+ """
+ if uid in self.page_finder.keys():
+ self.page_finder[uid].set_range(qmin=qmin, qmax=qmax, fid=fid)
+
+ def schedule_for_fit(self, value=0, uid=None):
+ """
+ Set the fit problem field to 0 or 1 to schedule that problem to fit.
+ Schedule the specified fitproblem or get the fit problem related to
+ the current page and set value.
+ :param value: integer 0 or 1
+ :param uid: the id related to a page contaning fitting information
+ """
+ if uid in self.page_finder.keys():
+ self.page_finder[uid].schedule_tofit(value)
+
+ def get_page_finder(self):
+ """
+ return self.page_finder used also by simfitpage.py
+ """
+ return self.page_finder
+
+ def set_page_finder(self, modelname, names, values):
+ """
+ Used by simfitpage.py to reset a parameter given the string constrainst.
+
+ :param modelname: the name ot the model for with the parameter
+ has to reset
+ :param value: can be a string in this case.
+ :param names: the paramter name
+ """
+ sim_page_id = self.sim_page.uid
+ for uid, value in self.page_finder.iteritems():
+ if uid != sim_page_id and uid != self.batch_page.uid:
+ model_list = value.get_model()
+ model = model_list[0]
+ if model.name == modelname:
+ value.set_model_param(names, values)
+ break
+
+ def split_string(self, item):
+ """
+ receive a word containing dot and split it. used to split parameterset
+ name into model name and parameter name example: ::
+
+ paramaterset (item) = M1.A
+ Will return model_name = M1 , parameter name = A
+
+ """
+ if item.find(".") >= 0:
+ param_names = re.split("\.", item)
+ model_name = param_names[0]
+ ##Assume max len is 3; eg., M0.radius.width
+ if len(param_names) == 3:
+ param_name = param_names[1] + "." + param_names[2]
+ else:
+ param_name = param_names[1]
+ return model_name, param_name
+
+ def on_bumps_options(self, event=None):
+ """
+ Open the bumps options panel.
+ """
+ show_fit_config(self.parent, help=self.on_help)
+
+ def on_fitter_changed(self, event):
+ self._set_fitter_label(event.config)
+
+ def _set_fitter_label(self, config):
+ self.fit_panel.parent.SetTitle(self.fit_panel.window_name
+ + " - Active Fitting Optimizer: "
+ + config.selected_name)
+
+ def on_help(self, algorithm_id):
+ _TreeLocation = "user/sasgui/perspectives/fitting/optimizer.html"
+ _anchor = "#fit-"+algorithm_id
+ DocumentationWindow(self.parent, wx.ID_ANY, _TreeLocation, _anchor, "Optimizer Help")
+
+
+ def on_fit_results(self, event=None):
+ """
+ Make the Fit Results panel visible.
+ """
+ self.result_frame.Show()
+ self.result_frame.Raise()
+
+ def on_gpu_options(self, event=None):
+ """
+ Make the Fit Results panel visible.
+ """
+ dialog = GpuOptions(None, wx.ID_ANY, "")
+ dialog.Show()
+
+ def stop_fit(self, uid):
+ """
+ Stop the fit
+ """
+ if uid in self.fit_thread_list.keys():
+ calc_fit = self.fit_thread_list[uid]
+ if calc_fit is not None and calc_fit.isrunning():
+ calc_fit.stop()
+ msg = "Fit stop!"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
+ del self.fit_thread_list[uid]
+ #set the fit button label of page when fit stop is trigger from
+ #simultaneous fit pane
+ sim_flag = self.sim_page is not None and uid == self.sim_page.uid
+ batch_flag = self.batch_page is not None and uid == self.batch_page.uid
+ if sim_flag or batch_flag:
+ for uid, value in self.page_finder.iteritems():
+ if value.get_scheduled() == 1:
+ if uid in self.fit_panel.opened_pages.keys():
+ panel = self.fit_panel.opened_pages[uid]
+ panel._on_fit_complete()
+
+ def set_smearer(self, uid, smearer, fid, qmin=None, qmax=None, draw=True,
+ enable_smearer=False):
+ """
+ Get a smear object and store it to a fit problem of fid as id. If proper
+ flag is enable , will plot the theory with smearing information.
+
+ :param smearer: smear object to allow smearing data of id fid
+ :param enable_smearer: Define whether or not all (data, model) contained
+ in the structure of id uid will be smeared before fitting.
+ :param qmin: the maximum value of the theory plotting range
+ :param qmax: the maximum value of the theory plotting range
+ :param draw: Determine if the theory needs to be plot
+ """
+ if uid not in self.page_finder.keys():
+ return
+ self.page_finder[uid].enable_smearing(flag=enable_smearer)
+ self.page_finder[uid].set_smearer(smearer, fid=fid)
+ if draw:
+ ## draw model 1D with smeared data
+ data = self.page_finder[uid].get_fit_data(fid=fid)
+ if data is None:
+ msg = "set_mearer requires at least data.\n"
+ msg += "Got data = %s .\n" % str(data)
+ return
+ #raise ValueError, msg
+ model = self.page_finder[uid].get_model(fid=fid)
+ if model is None:
+ return
+ enable1D = issubclass(data.__class__, Data1D)
+ enable2D = issubclass(data.__class__, Data2D)
+ ## if user has already selected a model to plot
+ ## redraw the model with data smeared
+ smear = self.page_finder[uid].get_smearer(fid=fid)
+
+ # compute weight for the current data
+ weight = self.page_finder[uid].get_weight(fid=fid)
+
+ self.draw_model(model=model, data=data, page_id=uid, smearer=smear,
+ enable1D=enable1D, enable2D=enable2D,
+ qmin=qmin, qmax=qmax, weight=weight)
+
+ def _mac_sleep(self, sec=0.2):
+ """
+ Give sleep to MAC
+ """
+ if ON_MAC:
+ time.sleep(sec)
+
+ def draw_model(self, model, page_id, data=None, smearer=None,
+ enable1D=True, enable2D=False,
+ state=None,
+ fid=None,
+ toggle_mode_on=False,
+ qmin=None, qmax=None,
+ update_chisqr=True, weight=None, source='model'):
+ """
+ Draw model.
+
+ :param model: the model to draw
+ :param name: the name of the model to draw
+ :param data: the data on which the model is based to be drawn
+ :param description: model's description
+ :param enable1D: if true enable drawing model 1D
+ :param enable2D: if true enable drawing model 2D
+ :param qmin: Range's minimum value to draw model
+ :param qmax: Range's maximum value to draw model
+ :param qstep: number of step to divide the x and y-axis
+ :param update_chisqr: update chisqr [bool]
+
+ """
+ #self.weight = weight
+ if issubclass(data.__class__, Data1D) or not enable2D:
+ ## draw model 1D with no loaded data
+ self._draw_model1D(model=model,
+ data=data,
+ page_id=page_id,
+ enable1D=enable1D,
+ smearer=smearer,
+ qmin=qmin,
+ qmax=qmax,
+ fid=fid,
+ weight=weight,
+ toggle_mode_on=toggle_mode_on,
+ state=state,
+ update_chisqr=update_chisqr,
+ source=source)
+ else:
+ ## draw model 2D with no initial data
+ self._draw_model2D(model=model,
+ page_id=page_id,
+ data=data,
+ enable2D=enable2D,
+ smearer=smearer,
+ qmin=qmin,
+ qmax=qmax,
+ fid=fid,
+ weight=weight,
+ state=state,
+ toggle_mode_on=toggle_mode_on,
+ update_chisqr=update_chisqr,
+ source=source)
+
+ def onFit(self, uid):
+ """
+ Get series of data, model, associates parameters and range and send then
+ to series of fitters. Fit data and model, display result to
+ corresponding panels.
+ :param uid: id related to the panel currently calling this fit function.
+ """
+ if uid is None: raise RuntimeError("no page to fit") # Should never happen
+
+ sim_page_uid = getattr(self.sim_page, 'uid', None)
+ batch_page_uid = getattr(self.batch_page, 'uid', None)
+
+ if uid == sim_page_uid:
+ fit_type = 'simultaneous'
+ elif uid == batch_page_uid:
+ fit_type = 'combined_batch'
+ else:
+ fit_type = 'single'
+
+ fitter_list = []
+ sim_fitter = None
+ if fit_type == 'simultaneous':
+ # for simultaneous fitting only one fitter is needed
+ sim_fitter = Fit()
+ sim_fitter.fitter_id = self.sim_page.uid
+ fitter_list.append(sim_fitter)
+
+ self.current_pg = None
+ list_page_id = []
+ fit_id = 0
+ for page_id, page_info in self.page_finder.iteritems():
+ # For simulfit (uid give with None), do for-loop
+ # if uid is specified (singlefit), do it only on the page.
+ if page_id in (sim_page_uid, batch_page_uid): continue
+ if fit_type == "single" and page_id != uid: continue
+
+ try:
+ if page_info.get_scheduled() == 1:
+ page_info.nbr_residuals_computed = 0
+ page = self.fit_panel.get_page_by_id(page_id)
+ self.set_fit_weight(uid=page.uid,
+ flag=page.get_weight_flag(),
+ is2d=page._is_2D())
+ if not page.param_toFit:
+ msg = "No fitting parameters for %s" % page.window_caption
+ evt = StatusEvent(status=msg, info="error", type="stop")
+ wx.PostEvent(page.parent.parent, evt)
+ return False
+ if not page._update_paramv_on_fit():
+ msg = "Fitting range or parameter values are"
+ msg += " invalid in %s" % \
+ page.window_caption
+ evt = StatusEvent(status=msg, info="error", type="stop")
+ wx.PostEvent(page.parent.parent, evt)
+ return False
+
+ pars = [str(element[1]) for element in page.param_toFit]
+ fitproblem_list = page_info.values()
+ for fitproblem in fitproblem_list:
+ if sim_fitter is None:
+ fitter = Fit()
+ fitter.fitter_id = page_id
+ fitter_list.append(fitter)
+ else:
+ fitter = sim_fitter
+ self._add_problem_to_fit(fitproblem=fitproblem,
+ pars=pars,
+ fitter=fitter,
+ fit_id=fit_id)
+ fit_id += 1
+ list_page_id.append(page_id)
+ page_info.clear_model_param()
+ except KeyboardInterrupt:
+ msg = "Fitting terminated"
+ evt = StatusEvent(status=msg, info="info", type="stop")
+ wx.PostEvent(self.parent, evt)
+ return True
+ except:
+ raise
+ msg = "Fitting error: %s" % str(sys.exc_value)
+ evt = StatusEvent(status=msg, info="error", type="stop")
+ wx.PostEvent(self.parent, evt)
+ return False
+ ## If a thread is already started, stop it
+ #if self.calc_fit!= None and self.calc_fit.isrunning():
+ # self.calc_fit.stop()
+ msg = "Fitting is in progress..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
+
+ #Handler used to display fit message
+ handler = ConsoleUpdate(parent=self.parent,
+ manager=self,
+ improvement_delta=0.1)
+ self._mac_sleep(0.2)
+
+ # batch fit
+ batch_inputs = {}
+ batch_outputs = {}
+ if fit_type == "simultaneous":
+ page = self.sim_page
+ elif fit_type == "combined_batch":
+ page = self.batch_page
+ else:
+ page = self.fit_panel.get_page_by_id(uid)
+ if page.batch_on:
+ calc_fit = FitThread(handler=handler,
+ fn=fitter_list,
+ pars=pars,
+ batch_inputs=batch_inputs,
+ batch_outputs=batch_outputs,
+ page_id=list_page_id,
+ completefn=self._batch_fit_complete,
+ reset_flag=self.batch_reset_flag)
+ else:
+ ## Perform more than 1 fit at the time
+ calc_fit = FitThread(handler=handler,
+ fn=fitter_list,
+ batch_inputs=batch_inputs,
+ batch_outputs=batch_outputs,
+ page_id=list_page_id,
+ updatefn=handler.update_fit,
+ completefn=self._fit_completed)
+ #self.fit_thread_list[current_page_id] = calc_fit
+ self.fit_thread_list[uid] = calc_fit
+ calc_fit.queue()
+ calc_fit.ready(2.5)
+ msg = "Fitting is in progress..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
+
+ return True
+
+ def remove_plot(self, uid, fid=None, theory=False):
+ """
+ remove model plot when a fit page is closed
+ :param uid: the id related to the fitpage to close
+ :param fid: the id of the fitproblem(data, model, range,etc)
+ """
+ if uid not in self.page_finder.keys():
+ return
+ fitproblemList = self.page_finder[uid].get_fit_problem(fid)
+ for fitproblem in fitproblemList:
+ data = fitproblem.get_fit_data()
+ model = fitproblem.get_model()
+ plot_id = None
+ if model is not None:
+ plot_id = data.id + model.name
+ if theory:
+ plot_id = data.id + model.name
+ group_id = data.group_id
+ wx.PostEvent(self.parent, NewPlotEvent(id=plot_id,
+ group_id=group_id,
+ action='remove'))
+
+ def store_data(self, uid, data_list=None, caption=None):
+ """
+ Recieve a list of data and store them ans well as a caption of
+ the fit page where they come from.
+ :param uid: if related to a fit page
+ :param data_list: list of data to fit
+ :param caption: caption of the window related to these data
+ """
+ if data_list is None:
+ data_list = []
+
+ self.page_finder[uid].set_fit_data(data=data_list)
+ if caption is not None:
+ self.page_finder[uid].set_fit_tab_caption(caption=caption)
+
+ def on_add_new_page(self, event=None):
+ """
+ ask fit panel to create a new empty page
+ """
+ try:
+ page = self.fit_panel.add_empty_page()
+ # add data associated to the page created
+ if page != None:
+ evt = StatusEvent(status="Page Created", info="info")
+ wx.PostEvent(self.parent, evt)
+ else:
+ msg = "Page was already Created"
+ evt = StatusEvent(status=msg, info="warning")
+ wx.PostEvent(self.parent, evt)
+ except:
+ msg = "Creating Fit page: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
+
+ def add_fit_page(self, data):
+ """
+ given a data, ask to the fitting panel to create a new fitting page,
+ get this page and store it into the page_finder of this plug-in
+ :param data: is a list of data
+ """
+ page = self.fit_panel.set_data(data)
+ # page could be None when loading state files
+ if page == None:
+ return page
+ #append Data1D to the panel containing its theory
+ #if theory already plotted
+ if page.uid in self.page_finder:
+ data = page.get_data()
+ theory_data = self.page_finder[page.uid].get_theory_data(data.id)
+ if issubclass(data.__class__, Data2D):
+ data.group_id = wx.NewId()
+ if theory_data is not None:
+ group_id = str(page.uid) + " Model1D"
+ wx.PostEvent(self.parent,
+ NewPlotEvent(group_id=group_id,
+ action="delete"))
+ self.parent.update_data(prev_data=theory_data,
+ new_data=data)
+ else:
+ if theory_data is not None:
+ group_id = str(page.uid) + " Model2D"
+ data.group_id = theory_data.group_id
+ wx.PostEvent(self.parent,
+ NewPlotEvent(group_id=group_id,
+ action="delete"))
+ self.parent.update_data(prev_data=theory_data,
+ new_data=data)
+ self.store_data(uid=page.uid, data_list=page.get_data_list(),
+ caption=page.window_caption)
+ if self.sim_page is not None and not self.batch_on:
+ self.sim_page.draw_page()
+ if self.batch_page is not None and self.batch_on:
+ self.batch_page.draw_page()
+
+ return page
+
+ def _onEVT_SLICER_PANEL(self, event):
+ """
+ receive and event telling to update a panel with a name starting with
+ event.panel_name. this method update slicer panel
+ for a given interactor.
+
+ :param event: contains type of slicer , paramaters for updating
+ the panel and panel_name to find the slicer 's panel concerned.
+ """
+ event.panel_name
+ for item in self.parent.panels:
+ name = event.panel_name
+ if self.parent.panels[item].window_caption.startswith(name):
+ self.parent.panels[item].set_slicer(event.type, event.params)
+
+ #self.parent._mgr.Update()
+
+ def _closed_fitpage(self, event):
+ """
+ request fitpanel to close a given page when its unique data is removed
+ from the plot. close fitpage only when the a loaded data is removed
+ """
+ if event is None or event.data is None:
+ return
+ if hasattr(event.data, "is_data"):
+ if not event.data.is_data or \
+ event.data.__class__.__name__ == "Data1D":
+ self.fit_panel.close_page_with_data(event.data)
+
+ def _reset_schedule_problem(self, value=0, uid=None):
+ """
+ unschedule or schedule all fitproblem to be fit
+ """
+ # case that uid is not specified
+ if uid == None:
+ for page_id in self.page_finder.keys():
+ self.page_finder[page_id].schedule_tofit(value)
+ # when uid is given
+ else:
+ if uid in self.page_finder.keys():
+ self.page_finder[uid].schedule_tofit(value)
+
+ def _add_problem_to_fit(self, fitproblem, pars, fitter, fit_id):
+ """
+ Create and set fitter with series of data and model
+ """
+ data = fitproblem.get_fit_data()
+ model = fitproblem.get_model()
+ smearer = fitproblem.get_smearer()
+ qmin, qmax = fitproblem.get_range()
+
+ #Extra list of parameters and their constraints
+ listOfConstraint = []
+ param = fitproblem.get_model_param()
+ if len(param) > 0:
+ for item in param:
+ ## check if constraint
+ if item[0] != None and item[1] != None:
+ listOfConstraint.append((item[0], item[1]))
+ new_model = model
+ fitter.set_model(new_model, fit_id, pars, data=data,
+ constraints=listOfConstraint)
+ fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
+ qmax=qmax)
+ fitter.select_problem_for_fit(id=fit_id, value=1)
+
+ def _onSelect(self, event):
+ """
+ when Select data to fit a new page is created .Its reference is
+ added to self.page_finder
+ """
+ panel = self.plot_panel
+ if panel == None:
+ raise ValueError, "Fitting:_onSelect: NonType panel"
+ Plugin.on_perspective(self, event=event)
+ self.select_data(panel)
+
+ def select_data(self, panel):
+ """
+ """
+ for plottable in panel.graph.plottables:
+ if plottable.__class__.__name__ in ["Data1D", "Theory1D"]:
+ data_id = panel.graph.selected_plottable
+ if plottable == panel.plots[data_id]:
+ data = plottable
+ self.add_fit_page(data=[data])
+ return
+ else:
+ data = plottable
+ self.add_fit_page(data=[data])
+
+ def update_fit(self, result=None, msg=""):
+ """
+ """
+ print "update_fit result", result
+
+ def _batch_fit_complete(self, result, pars, page_id,
+ batch_outputs, batch_inputs, elapsed=None):
+ """
+ Display fit result in batch
+ :param result: list of objects received from fitters
+ :param pars: list of fitted parameters names
+ :param page_id: list of page ids which called fit function
+ :param elapsed: time spent at the fitting level
+ """
+ self._mac_sleep(0.2)
+ uid = page_id[0]
+ if uid in self.fit_thread_list.keys():
+ del self.fit_thread_list[uid]
+
+ wx.CallAfter(self._update_fit_button, page_id)
+ t1 = time.time()
+ str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
+ msg = "Fit completed on %s \n" % str_time
+ msg += "Duration time: %s s.\n" % str(elapsed)
+ evt = StatusEvent(status=msg, info="info", type="stop")
+ wx.PostEvent(self.parent, evt)
+
+ if batch_outputs is None:
+ batch_outputs = {}
+
+ # format batch_outputs
+ batch_outputs["Chi2"] = []
+ #Don't like these loops
+ # Need to create dictionary of all fitted parameters
+ # since the number of parameters can differ between each fit result
+ for list_res in result:
+ for res in list_res:
+ model, data = res.inputs[0]
+ if model is not None and hasattr(model, "model"):
+ model = model.model
+ #get all fittable parameters of the current model
+ for param in model.getParamList():
+ if param not in batch_outputs.keys():
+ batch_outputs[param] = []
+ for param in model.getDispParamList():
+ if not model.is_fittable(param) and \
+ param in batch_outputs.keys():
+ del batch_outputs[param]
+ # Add fitted parameters and their error
+ for param in res.param_list:
+ if param not in batch_outputs.keys():
+ batch_outputs[param] = []
+ err_param = "error on %s" % str(param)
+ if err_param not in batch_inputs.keys():
+ batch_inputs[err_param] = []
+ msg = ""
+ for list_res in result:
+ for res in list_res:
+ pid = res.fitter_id
+ model, data = res.inputs[0]
+ correct_result = False
+ if model is not None and hasattr(model, "model"):
+ model = model.model
+ if data is not None and hasattr(data, "sas_data"):
+ data = data.sas_data
+
+ is_data2d = issubclass(data.__class__, Data2D)
+ #check consistency of arrays
+ if not is_data2d:
+ if len(res.theory) == len(res.index[res.index]) and \
+ len(res.index) == len(data.y):
+ correct_result = True
+ else:
+ copy_data = deepcopy(data)
+ new_theory = copy_data.data
+ new_theory[res.index] = res.theory
+ new_theory[res.index == False] = numpy.nan
+ correct_result = True
+ #get all fittable parameters of the current model
+ param_list = model.getParamList()
+ for param in model.getDispParamList():
+ if not model.is_fittable(param) and \
+ param in param_list:
+ param_list.remove(param)
+ if not correct_result or res.fitness is None or \
+ not numpy.isfinite(res.fitness) or \
+ numpy.any(res.pvec == None) or not \
+ numpy.all(numpy.isfinite(res.pvec)):
+ data_name = str(None)
+ if data is not None:
+ data_name = str(data.name)
+ model_name = str(None)
+ if model is not None:
+ model_name = str(model.name)
+ msg += "Data %s and Model %s did not fit.\n" % (data_name,
+ model_name)
+ ERROR = numpy.NAN
+ cell = BatchCell()
+ cell.label = res.fitness
+ cell.value = res.fitness
+ batch_outputs["Chi2"].append(ERROR)
+ for param in param_list:
+ # save value of fixed parameters
+ if param not in res.param_list:
+ batch_outputs[str(param)].append(ERROR)
+ else:
+ #save only fitted values
+ batch_outputs[param].append(ERROR)
+ batch_inputs["error on %s" % str(param)].append(ERROR)
+ else:
+ # TODO: Why sometimes res.pvec comes with numpy.float64?
+ # probably from scipy lmfit
+ if res.pvec.__class__ == numpy.float64:
+ res.pvec = [res.pvec]
+
+ cell = BatchCell()
+ cell.label = res.fitness
+ cell.value = res.fitness
+ batch_outputs["Chi2"].append(cell)
+ # add parameters to batch_results
+ for param in param_list:
+ # save value of fixed parameters
+ if param not in res.param_list:
+ batch_outputs[str(param)].append(model.getParam(param))
+ else:
+ index = res.param_list.index(param)
+ #save only fitted values
+ batch_outputs[param].append(res.pvec[index])
+ if res.stderr is not None and \
+ len(res.stderr) == len(res.param_list):
+ item = res.stderr[index]
+ batch_inputs["error on %s" % param].append(item)
+ else:
+ batch_inputs["error on %s" % param].append('-')
+ model.setParam(param, res.pvec[index])
+ #fill the batch result with emtpy value if not in the current
+ #model
+ EMPTY = "-"
+ for key in batch_outputs.keys():
+ if key not in param_list and key not in ["Chi2", "Data"]:
+ batch_outputs[key].append(EMPTY)
+
+ self.page_finder[pid].set_batch_result(batch_inputs=batch_inputs,
+ batch_outputs=batch_outputs)
+
+ cpage = self.fit_panel.get_page_by_id(pid)
+ cpage._on_fit_complete()
+ self.page_finder[pid][data.id].set_result(res)
+ fitproblem = self.page_finder[pid][data.id]
+ qmin, qmax = fitproblem.get_range()
+ plot_result = False
+ if correct_result:
+ if not is_data2d:
+ self._complete1D(x=data.x[res.index], y=res.theory, page_id=pid,
+ elapsed=None,
+ index=res.index, model=model,
+ weight=None, fid=data.id,
+ toggle_mode_on=False, state=None,
+ data=data, update_chisqr=False,
+ source='fit', plot_result=plot_result)
+ else:
+ self._complete2D(image=new_theory, data=data,
+ model=model,
+ page_id=pid, elapsed=None,
+ index=res.index,
+ qmin=qmin,
+ qmax=qmax, fid=data.id, weight=None,
+ toggle_mode_on=False, state=None,
+ update_chisqr=False,
+ source='fit', plot_result=plot_result)
+ self.on_set_batch_result(page_id=pid,
+ fid=data.id,
+ batch_outputs=batch_outputs,
+ batch_inputs=batch_inputs)
+
+ evt = StatusEvent(status=msg, error="info", type="stop")
+ wx.PostEvent(self.parent, evt)
+ # Remove parameters that are not shown
+ cpage = self.fit_panel.get_page_by_id(uid)
+ tbatch_outputs = {}
+ shownkeystr = cpage.get_copy_params()
+ for key in batch_outputs.keys():
+ if key in ["Chi2", "Data"] or shownkeystr.count(key) > 0:
+ tbatch_outputs[key] = batch_outputs[key]
+
+ wx.CallAfter(self.parent.on_set_batch_result, tbatch_outputs,
+ batch_inputs, self.sub_menu)
+
+ def on_set_batch_result(self, page_id, fid, batch_outputs, batch_inputs):
+ """
+ """
+ pid = page_id
+ if fid not in self.page_finder[pid]:
+ return
+ fitproblem = self.page_finder[pid][fid]
+ index = self.page_finder[pid].nbr_residuals_computed - 1
+ residuals = fitproblem.get_residuals()
+ theory_data = fitproblem.get_theory_data()
+ data = fitproblem.get_fit_data()
+ model = fitproblem.get_model()
+ #fill batch result information
+ if "Data" not in batch_outputs.keys():
+ batch_outputs["Data"] = []
+ from sas.sasgui.guiframe.data_processor import BatchCell
+ cell = BatchCell()
+ cell.label = data.name
+ cell.value = index
+
+ if theory_data != None:
+ #Suucessful fit
+ theory_data.id = wx.NewId()
+ theory_data.name = model.name + "[%s]" % str(data.name)
+ if issubclass(theory_data.__class__, Data2D):
+ group_id = wx.NewId()
+ theory_data.group_id = group_id
+ if group_id not in theory_data.list_group_id:
+ theory_data.list_group_id.append(group_id)
+
+ try:
+ # associate residuals plot
+ if issubclass(residuals.__class__, Data2D):
+ group_id = wx.NewId()
+ residuals.group_id = group_id
+ if group_id not in residuals.list_group_id:
+ residuals.list_group_id.append(group_id)
+ batch_outputs["Chi2"][index].object = [residuals]
+ except:
+ pass
+
+ cell.object = [data, theory_data]
+ batch_outputs["Data"].append(cell)
+ for key, value in data.meta_data.iteritems():
+ if key not in batch_inputs.keys():
+ batch_inputs[key] = []
+ #if key.lower().strip() != "loader":
+ batch_inputs[key].append(value)
+ param = "temperature"
+ if hasattr(data.sample, param):
+ if param not in batch_inputs.keys():
+ batch_inputs[param] = []
+ batch_inputs[param].append(data.sample.temperature)
+
+ def _fit_completed(self, result, page_id, batch_outputs,
+ batch_inputs=None, pars=None, elapsed=None):
+ """
+ Display result of the fit on related panel(s).
+ :param result: list of object generated when fit ends
+ :param pars: list of names of parameters fitted
+ :param page_id: list of page ids which called fit function
+ :param elapsed: time spent at the fitting level
+ """
+ t1 = time.time()
+ str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
+ msg = "Fit completed on %s \n" % str_time
+ msg += "Duration time: %s s.\n" % str(elapsed)
+ evt = StatusEvent(status=msg, info="info", type="stop")
+ wx.PostEvent(self.parent, evt)
+ wx.PostEvent(self.result_panel, PlotResultEvent(result=result))
+ wx.CallAfter(self._update_fit_button, page_id)
+ result = result[0]
+ self.fit_thread_list = {}
+ if page_id is None:
+ page_id = []
+ ## fit more than 1 model at the same time
+ self._mac_sleep(0.2)
+ try:
+ index = 0
+ # Update potential simfit page(s)
+ if self.sim_page is not None:
+ self.sim_page._on_fit_complete()
+ if self.batch_page:
+ self.batch_page._on_fit_complete()
+ # Update all fit pages
+ for uid in page_id:
+ res = result[index]
+ fit_msg = res.mesg
+ if res.fitness is None or \
+ not numpy.isfinite(res.fitness) or \
+ numpy.any(res.pvec == None) or \
+ not numpy.all(numpy.isfinite(res.pvec)):
+ fit_msg += "\nFitting did not converge!!!"
+ wx.CallAfter(self._update_fit_button, page_id)
+ else:
+ #set the panel when fit result are float not list
+ if res.pvec.__class__ == numpy.float64:
+ pvec = [res.pvec]
+ else:
+ pvec = res.pvec
+ if res.stderr.__class__ == numpy.float64:
+ stderr = [res.stderr]
+ else:
+ stderr = res.stderr
+ cpage = self.fit_panel.get_page_by_id(uid)
+ # Make sure we got all results
+ #(CallAfter is important to MAC)
+ try:
+ #if res != None:
+ wx.CallAfter(cpage.onsetValues, res.fitness,
+ res.param_list,
+ pvec, stderr)
+ index += 1
+ wx.CallAfter(cpage._on_fit_complete)
+ except KeyboardInterrupt:
+ fit_msg += "\nSingular point: Fitting stopped."
+ except:
+ fit_msg += "\nSingular point: Fitting error occurred."
+ if fit_msg:
+ evt = StatusEvent(status=fit_msg, info="warning", type="stop")
+ wx.PostEvent(self.parent, evt)
+
+ except:
+ msg = ("Fit completed but the following error occurred: %s"
+ % sys.exc_value)
+ #import traceback; msg = "\n".join((traceback.format_exc(), msg))
+ evt = StatusEvent(status=msg, info="warning", type="stop")
+ wx.PostEvent(self.parent, evt)
+
+ def _update_fit_button(self, page_id):
+ """
+ Update Fit button when fit stopped
+
+ : parameter page_id: fitpage where the button is
+ """
+ if page_id.__class__.__name__ != 'list':
+ page_id = [page_id]
+ for uid in page_id:
+ page = self.fit_panel.get_page_by_id(uid)
+ page._on_fit_complete()
+
+ def _on_show_panel(self, event):
+ """
+ """
+ pass
+
+ def on_reset_batch_flag(self, event):
+ """
+ Set batch_reset_flag
+ """
+ event.Skip()
+ if self.menu1 == None:
+ return
+ menu_item = self.menu1.FindItemById(self.id_reset_flag)
+ flag = menu_item.IsChecked()
+ if not flag:
+ menu_item.Check(False)
+ self.batch_reset_flag = True
+ else:
+ menu_item.Check(True)
+ self.batch_reset_flag = False
+
+ ## post a message to status bar
+ msg = "Set Chain Fitting: %s" % str(not self.batch_reset_flag)
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+
+ def _on_slicer_event(self, event):
+ """
+ Receive a panel as event and send it to guiframe
+
+ :param event: event containing a panel
+
+ """
+ if event.panel is not None:
+ self.slicer_panels.append(event.panel)
+ # Set group ID if available
+ event_id = self.parent.popup_panel(event.panel)
+ event.panel.uid = event_id
+ self.mypanels.append(event.panel)
+
+ def _onclearslicer(self, event):
+ """
+ Clear the boxslicer when close the panel associate with this slicer
+ """
+ name = event.GetEventObject().frame.GetTitle()
+ for panel in self.slicer_panels:
+ if panel.window_caption == name:
+
+ for item in self.parent.panels:
+ if hasattr(self.parent.panels[item], "uid"):
+ if self.parent.panels[item].uid == panel.base.uid:
+ self.parent.panels[item].onClearSlicer(event)
+ #self.parent._mgr.Update()
+ break
+ break
+
+ def _on_model_panel(self, evt):
+ """
+ react to model selection on any combo box or model menu.plot the model
+
+ :param evt: wx.combobox event
+
+ """
+ model = evt.model
+ uid = evt.uid
+ qmin = evt.qmin
+ qmax = evt.qmax
+ caption = evt.caption
+ enable_smearer = evt.enable_smearer
+ if model == None:
+ return
+ if uid not in self.page_finder.keys():
+ return
+ # save the name containing the data name with the appropriate model
+ self.page_finder[uid].set_model(model)
+ self.page_finder[uid].enable_smearing(enable_smearer)
+ self.page_finder[uid].set_range(qmin=qmin, qmax=qmax)
+ self.page_finder[uid].set_fit_tab_caption(caption=caption)
+ if self.sim_page is not None and not self.batch_on:
+ self.sim_page.draw_page()
+ if self.batch_page is not None and self.batch_on:
+ self.batch_page.draw_page()
+
+ def _update1D(self, x, output):
+ """
+ Update the output of plotting model 1D
+ """
+ msg = "Plot updating ... "
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="update"))
+
+ def create_theory_1D(self, x, y, page_id, model, data, state,
+ data_description, data_id, dy=None):
+ """
+ Create a theory object associate with an existing Data1D
+ and add it to the data manager.
+ @param x: x-values of the data
+ @param y: y_values of the data
+ @param page_id: fit page ID
+ @param model: model used for fitting
+ @param data: Data1D object to create the theory for
+ @param state: model state
+ @param data_description: title to use in the data manager
+ @param data_id: unique data ID
+ """
+ new_plot = Data1D(x=x, y=y)
+ if dy is None:
+ new_plot.is_data = False
+ new_plot.dy = numpy.zeros(len(y))
+ # If this is a theory curve, pick the proper symbol to make it a curve
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ else:
+ new_plot.is_data = True
+ new_plot.dy = dy
+ new_plot.interactive = True
+ new_plot.dx = None
+ new_plot.dxl = None
+ new_plot.dxw = None
+ _yaxis, _yunit = data.get_yaxis()
+ _xaxis, _xunit = data.get_xaxis()
+ new_plot.title = data.name
+ new_plot.group_id = data.group_id
+ if new_plot.group_id == None:
+ new_plot.group_id = data.group_id
+ new_plot.id = data_id
+ # Find if this theory was already plotted and replace that plot given
+ # the same id
+ self.page_finder[page_id].get_theory_data(fid=data.id)
+
+ if data.is_data:
+ data_name = str(data.name)
+ else:
+ data_name = str(model.__class__.__name__)
+
+ new_plot.name = data_description + " [" + data_name + "]"
+ new_plot.xaxis(_xaxis, _xunit)
+ new_plot.yaxis(_yaxis, _yunit)
+ self.page_finder[page_id].set_theory_data(data=new_plot,
+ fid=data.id)
+ self.parent.update_theory(data_id=data.id, theory=new_plot,
+ state=state)
+ return new_plot
+
+ def _complete1D(self, x, y, page_id, elapsed, index, model,
+ weight=None, fid=None,
+ toggle_mode_on=False, state=None,
+ data=None, update_chisqr=True,
+ source='model', plot_result=True,
+ unsmeared_model=None, unsmeared_data=None,
+ unsmeared_error=None, sq_model=None, pq_model=None):
+ """
+ Complete plotting 1D data
+ @param unsmeared_model: fit model, without smearing
+ @param unsmeared_data: data, rescaled to unsmeared model
+ @param unsmeared_error: data error, rescaled to unsmeared model
+ """
+ try:
+ numpy.nan_to_num(y)
+ new_plot = self.create_theory_1D(x, y, page_id, model, data, state,
+ data_description=model.name,
+ data_id=str(page_id) + " " + data.name)
+ if unsmeared_model is not None:
+ self.create_theory_1D(x, unsmeared_model, page_id, model, data, state,
+ data_description=model.name + " unsmeared",
+ data_id=str(page_id) + " " + data.name + " unsmeared")
+
+ if unsmeared_data is not None and unsmeared_error is not None:
+ self.create_theory_1D(x, unsmeared_data, page_id, model, data, state,
+ data_description="Data unsmeared",
+ data_id="Data " + data.name + " unsmeared",
+ dy=unsmeared_error)
+ # Comment this out until we can get P*S models with correctly populated parameters
+ #if sq_model is not None and pq_model is not None:
+ # self.create_theory_1D(x, sq_model, page_id, model, data, state,
+ # data_description=model.name + " S(q)",
+ # data_id=str(page_id) + " " + data.name + " S(q)")
+ # self.create_theory_1D(x, pq_model, page_id, model, data, state,
+ # data_description=model.name + " P(q)",
+ # data_id=str(page_id) + " " + data.name + " P(q)")
+
+ current_pg = self.fit_panel.get_page_by_id(page_id)
+ title = new_plot.title
+ batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
+ if not batch_on:
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
+ title=str(title)))
+ elif plot_result:
+ top_data_id = self.fit_panel.get_page_by_id(page_id).data.id
+ if data.id == top_data_id:
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
+ title=str(title)))
+ caption = current_pg.window_caption
+ self.page_finder[page_id].set_fit_tab_caption(caption=caption)
+
+ self.page_finder[page_id].set_theory_data(data=new_plot,
+ fid=data.id)
+ if toggle_mode_on:
+ wx.PostEvent(self.parent,
+ NewPlotEvent(group_id=str(page_id) + " Model2D",
+ action="Hide"))
+ else:
+ if update_chisqr:
+ wx.PostEvent(current_pg,
+ Chi2UpdateEvent(output=self._cal_chisqr(
+ data=data,
+ fid=fid,
+ weight=weight,
+ page_id=page_id,
+ index=index)))
+ else:
+ self._plot_residuals(page_id=page_id, data=data, fid=fid,
+ index=index, weight=weight)
+
+ msg = "Computation completed!"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
+ except:
+ raise
+
+ def _calc_exception(self, etype, value, tb):
+ """
+ Handle exception from calculator by posting it as an error.
+ """
+ logging.error("".join(traceback.format_exception(etype, value, tb)))
+ msg = traceback.format_exception(etype, value, tb, limit=1)
+ evt = StatusEvent(status="".join(msg), type="stop", info="error")
+ wx.PostEvent(self.parent, evt)
+
+ def _update2D(self, output, time=None):
+ """
+ Update the output of plotting model
+ """
+ msg = "Plot updating ... "
+ wx.PostEvent(self.parent, StatusEvent(msg, type="update"))
+
+ def _complete2D(self, image, data, model, page_id, elapsed, index, qmin,
+ qmax, fid=None, weight=None, toggle_mode_on=False, state=None,
+ update_chisqr=True, source='model', plot_result=True):
+ """
+ Complete get the result of modelthread and create model 2D
+ that can be plot.
+ """
+ numpy.nan_to_num(image)
+ new_plot = Data2D(image=image, err_image=data.err_data)
+ new_plot.name = model.name + '2d'
+ new_plot.title = "Analytical model 2D "
+ new_plot.id = str(page_id) + " " + data.name
+ new_plot.group_id = str(page_id) + " Model2D"
+ new_plot.detector = data.detector
+ new_plot.source = data.source
+ new_plot.is_data = False
+ new_plot.qx_data = data.qx_data
+ new_plot.qy_data = data.qy_data
+ new_plot.q_data = data.q_data
+ new_plot.mask = data.mask
+ ## plot boundaries
+ new_plot.ymin = data.ymin
+ new_plot.ymax = data.ymax
+ new_plot.xmin = data.xmin
+ new_plot.xmax = data.xmax
+ title = data.title
+
+ new_plot.is_data = False
+ if data.is_data:
+ data_name = str(data.name)
+ else:
+ data_name = str(model.__class__.__name__) + '2d'
+
+ if len(title) > 1:
+ new_plot.title = "Model2D for %s " % model.name + data_name
+ new_plot.name = model.name + " [" + \
+ data_name + "]"
+ theory_data = deepcopy(new_plot)
+
+ self.page_finder[page_id].set_theory_data(data=theory_data,
+ fid=data.id)
+ self.parent.update_theory(data_id=data.id,
+ theory=new_plot,
+ state=state)
+ current_pg = self.fit_panel.get_page_by_id(page_id)
+ title = new_plot.title
+ if not source == 'fit' and plot_result:
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
+ title=title))
+ if toggle_mode_on:
+ wx.PostEvent(self.parent,
+ NewPlotEvent(group_id=str(page_id) + " Model1D",
+ action="Hide"))
+ else:
+ # Chisqr in fitpage
+ if update_chisqr:
+ wx.PostEvent(current_pg,
+ Chi2UpdateEvent(output=self._cal_chisqr(data=data,
+ weight=weight,
+ fid=fid,
+ page_id=page_id,
+ index=index)))
+ else:
+ self._plot_residuals(page_id=page_id, data=data, fid=fid,
+ index=index, weight=weight)
+ msg = "Computation completed!"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
+
+ def _draw_model2D(self, model, page_id, qmin,
+ qmax,
+ data=None, smearer=None,
+ description=None, enable2D=False,
+ state=None,
+ fid=None,
+ weight=None,
+ toggle_mode_on=False,
+ update_chisqr=True, source='model'):
+ """
+ draw model in 2D
+
+ :param model: instance of the model to draw
+ :param description: the description of the model
+ :param enable2D: when True allows to draw model 2D
+ :param qmin: the minimum value to draw model 2D
+ :param qmax: the maximum value to draw model 2D
+ :param qstep: the number of division of Qx and Qy of the model to draw
+
+ """
+ if not enable2D:
+ return None
+ try:
+ from model_thread import Calc2D
+ ## If a thread is already started, stop it
+ if (self.calc_2D is not None) and self.calc_2D.isrunning():
+ self.calc_2D.stop()
+ ## stop just raises a flag to tell the thread to kill
+ ## itself -- see the fix in Calc1D implemented to fix
+ ## an actual problem. Seems the fix should also go here
+ ## and may be the cause of other noted instabilities
+ ##
+ ## -PDB August 12, 2014
+ while self.calc_2D.isrunning():
+ time.sleep(0.1)
+ self.calc_2D = Calc2D(model=model,
+ data=data,
+ page_id=page_id,
+ smearer=smearer,
+ qmin=qmin,
+ qmax=qmax,
+ weight=weight,
+ fid=fid,
+ toggle_mode_on=toggle_mode_on,
+ state=state,
+ completefn=self._complete2D,
+ update_chisqr=update_chisqr,
+ exception_handler=self._calc_exception,
+ source=source)
+ self.calc_2D.queue()
+ except:
+ raise
+
+ def _draw_model1D(self, model, page_id, data,
+ qmin, qmax, smearer=None,
+ state=None,
+ weight=None,
+ fid=None,
+ toggle_mode_on=False, update_chisqr=True, source='model',
+ enable1D=True):
+ """
+ Draw model 1D from loaded data1D
+
+ :param data: loaded data
+ :param model: the model to plot
+
+ """
+ if not enable1D:
+ return
+ try:
+ from model_thread import Calc1D
+ ## If a thread is already started, stop it
+ if (self.calc_1D is not None) and self.calc_1D.isrunning():
+ self.calc_1D.stop()
+ ## stop just raises the flag -- the thread is supposed to
+ ## then kill itself but cannot. Paul Kienzle came up with
+ ## this fix to prevent threads from stepping on each other
+ ## which was causing a simple custom plugin model to crash
+ ##Sasview.
+ ## We still don't know why the fit sometimes lauched a second
+ ## thread -- something which should also be investigated.
+ ## The thread approach was implemented in order to be able
+ ## to lauch a computation in a separate thread from the GUI so
+ ## that the GUI can still respond to user input including
+ ## a request to stop the computation.
+ ## It seems thus that the whole thread approach used here
+ ## May need rethinking
+ ##
+ ## -PDB August 12, 2014
+ while self.calc_1D.isrunning():
+ time.sleep(0.1)
+ self.calc_1D = Calc1D(data=data,
+ model=model,
+ page_id=page_id,
+ qmin=qmin,
+ qmax=qmax,
+ smearer=smearer,
+ state=state,
+ weight=weight,
+ fid=fid,
+ toggle_mode_on=toggle_mode_on,
+ completefn=self._complete1D,
+ #updatefn = self._update1D,
+ update_chisqr=update_chisqr,
+ exception_handler=self._calc_exception,
+ source=source)
+ self.calc_1D.queue()
+ except:
+ msg = " Error occurred when drawing %s Model 1D: " % model.name
+ msg += " %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ def _cal_chisqr(self, page_id, data, weight, fid=None, index=None):
+ """
+ Get handy Chisqr using the output from draw1D and 2D,
+ instead of calling expansive CalcChisqr in guithread
+ """
+ try:
+ data_copy = deepcopy(data)
+ except:
+ return
+ # default chisqr
+ chisqr = None
+ #to compute chisq make sure data has valid data
+ # return None if data == None
+ if not check_data_validity(data_copy) or data_copy == None:
+ return chisqr
+
+ # Get data: data I, theory I, and data dI in order
+ if data_copy.__class__.__name__ == "Data2D":
+ if index == None:
+ index = numpy.ones(len(data_copy.data), dtype=bool)
+ if weight != None:
+ data_copy.err_data = weight
+ # get rid of zero error points
+ index = index & (data_copy.err_data != 0)
+ index = index & (numpy.isfinite(data_copy.data))
+ fn = data_copy.data[index]
+ theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
+ if theory_data == None:
+ return chisqr
+ gn = theory_data.data[index]
+ en = data_copy.err_data[index]
+ else:
+ # 1 d theory from model_thread is only in the range of index
+ if index == None:
+ index = numpy.ones(len(data_copy.y), dtype=bool)
+ if weight != None:
+ data_copy.dy = weight
+ if data_copy.dy == None or data_copy.dy == []:
+ dy = numpy.ones(len(data_copy.y))
+ else:
+ ## Set consistently w/AbstractFitengine:
+ # But this should be corrected later.
+ dy = deepcopy(data_copy.dy)
+ dy[dy == 0] = 1
+ fn = data_copy.y[index]
+
+ theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
+ if theory_data == None:
+ return chisqr
+ gn = theory_data.y
+ en = dy[index]
+
+ # residual
+ try:
+ res = (fn - gn) / en
+ except ValueError:
+ print "Unmatch lengths %s, %s, %s" % (len(fn), len(gn), len(en))
+ return
+
+ residuals = res[numpy.isfinite(res)]
+ # get chisqr only w/finite
+ chisqr = numpy.average(residuals * residuals)
+
+ self._plot_residuals(page_id=page_id, data=data_copy,
+ fid=fid,
+ weight=weight, index=index)
+
+ return chisqr
+
+ def _plot_residuals(self, page_id, weight, fid=None,
+ data=None, index=None):
+ """
+ Plot the residuals
+
+ :param data: data
+ :param index: index array (bool)
+ : Note: this is different from the residuals in cal_chisqr()
+ """
+ data_copy = deepcopy(data)
+ # Get data: data I, theory I, and data dI in order
+ if data_copy.__class__.__name__ == "Data2D":
+ # build residuals
+ residuals = Data2D()
+ #residuals.copy_from_datainfo(data)
+ # Not for trunk the line below, instead use the line above
+ data_copy.clone_without_data(len(data_copy.data), residuals)
+ residuals.data = None
+ fn = data_copy.data
+ theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
+ gn = theory_data.data
+ if weight == None:
+ en = data_copy.err_data
+ else:
+ en = weight
+ residuals.data = (fn - gn) / en
+ residuals.qx_data = data_copy.qx_data
+ residuals.qy_data = data_copy.qy_data
+ residuals.q_data = data_copy.q_data
+ residuals.err_data = numpy.ones(len(residuals.data))
+ residuals.xmin = min(residuals.qx_data)
+ residuals.xmax = max(residuals.qx_data)
+ residuals.ymin = min(residuals.qy_data)
+ residuals.ymax = max(residuals.qy_data)
+ residuals.q_data = data_copy.q_data
+ residuals.mask = data_copy.mask
+ residuals.scale = 'linear'
+ # check the lengths
+ if len(residuals.data) != len(residuals.q_data):
+ return
+ else:
+ # 1 d theory from model_thread is only in the range of index
+ if data_copy.dy == None or data_copy.dy == []:
+ dy = numpy.ones(len(data_copy.y))
+ else:
+ if weight == None:
+ dy = numpy.ones(len(data_copy.y))
+ ## Set consitently w/AbstractFitengine:
+ ## But this should be corrected later.
+ else:
+ dy = weight
+ dy[dy == 0] = 1
+ fn = data_copy.y[index]
+ theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
+ gn = theory_data.y
+ en = dy[index]
+ # build residuals
+ residuals = Data1D()
+ try:
+ residuals.y = (fn - gn) / en
+ except:
+ msg = "ResidualPlot Error: different # of data points in theory"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
+ residuals.y = (fn - gn[index]) / en
+ residuals.x = data_copy.x[index]
+ residuals.dy = numpy.ones(len(residuals.y))
+ residuals.dx = None
+ residuals.dxl = None
+ residuals.dxw = None
+ residuals.ytransform = 'y'
+ # For latter scale changes
+ residuals.xaxis('\\rm{Q} ', 'A^{-1}')
+ residuals.yaxis('\\rm{Residuals} ', 'normalized')
+ theory_name = str(theory_data.name.split()[0])
+ new_plot = residuals
+ new_plot.name = "Residuals for " + str(theory_name) + "[" + \
+ str(data.name) + "]"
+ ## allow to highlight data when plotted
+ new_plot.interactive = True
+ ## when 2 data have the same id override the 1 st plotted
+ new_plot.id = "res" + str(data_copy.id) + str(theory_name)
+ ##group_id specify on which panel to plot this data
+ group_id = self.page_finder[page_id].get_graph_id()
+ if group_id == None:
+ group_id = data.group_id
+ new_plot.group_id = "res" + str(group_id)
+ #new_plot.is_data = True
+ ##post data to plot
+ title = new_plot.name
+ self.page_finder[page_id].set_residuals(residuals=new_plot,
+ fid=data.id)
+ self.parent.update_theory(data_id=data.id, theory=new_plot)
+ batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
+ if not batch_on:
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
diff --git a/src/sas/sasgui/perspectives/fitting/fitting_widgets.py b/src/sas/sasgui/perspectives/fitting/fitting_widgets.py
new file mode 100644
index 0000000..4fca6ef
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/fitting_widgets.py
@@ -0,0 +1,188 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+import wx
+from wx.lib.scrolledpanel import ScrolledPanel
+
+MAX_NBR_DATA = 4
+WIDTH = 430
+HEIGHT = 350
+
+
+class DialogPanel(ScrolledPanel):
+ def __init__(self, *args, **kwds):
+ ScrolledPanel.__init__(self, *args, **kwds)
+ self.SetupScrolling()
+
+
+class BatchDataDialog(wx.Dialog):
+ """
+ The current design of Batch fit allows only of type of data in the data
+ set. This allows the user to make a quick selection of the type of data
+ to use in fit tab.
+ """
+ def __init__(self, parent=None, *args, **kwds):
+ wx.Dialog.__init__(self, parent, *args, **kwds)
+ self.SetSize((WIDTH, HEIGHT))
+ self.data_1d_selected = None
+ self.data_2d_selected = None
+ self._do_layout()
+
+ def _do_layout(self):
+ """
+ Draw the content of the current dialog window
+ """
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ box_description = wx.StaticBox(self, wx.ID_ANY, str("Hint"))
+ hint_sizer = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ selection_sizer = wx.GridBagSizer(5, 5)
+ button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.data_1d_selected = wx.RadioButton(self, wx.ID_ANY, 'Data1D',
+ style=wx.RB_GROUP)
+ self.data_2d_selected = wx.RadioButton(self, wx.ID_ANY, 'Data2D')
+ self.data_1d_selected.SetValue(True)
+ self.data_2d_selected.SetValue(False)
+ button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+ button_OK = wx.Button(self, wx.ID_OK, "Ok")
+ button_OK.SetFocus()
+ hint = "Selected Data set contains both 1D and 2D Data.\n"
+ hint += "Please select on type of analysis before proceeding.\n"
+ hint_sizer.Add(wx.StaticText(self, wx.ID_ANY, hint))
+ #draw area containing radio buttons
+ ix = 0
+ iy = 0
+ selection_sizer.Add(self.data_1d_selected, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ selection_sizer.Add(self.data_2d_selected, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ #contruction the sizer contaning button
+ button_sizer.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ button_sizer.Add(button_cancel, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ button_sizer.Add(button_OK, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ vbox.Add(hint_sizer, 0, wx.EXPAND | wx.ALL, 10)
+ vbox.Add(selection_sizer, 0, wx.TOP | wx.BOTTOM, 10)
+ vbox.Add(wx.StaticLine(self, wx.ID_ANY), 0, wx.EXPAND, 0)
+ vbox.Add(button_sizer, 0, wx.TOP | wx.BOTTOM, 10)
+ self.SetSizer(vbox)
+ self.Layout()
+
+ def get_data(self):
+ """
+ return 1 if user requested Data1D , 2 if user requested Data2D
+ """
+ if self.data_1d_selected.GetValue():
+ return 1
+ else:
+ return 2
+
+
+class DataDialog(wx.Dialog):
+ """
+ Allow file selection at loading time
+ """
+ def __init__(self, data_list, parent=None, text='',
+ nb_data=MAX_NBR_DATA, *args, **kwds):
+ wx.Dialog.__init__(self, parent, *args, **kwds)
+ self.SetTitle("Data Selection")
+ self._max_data = nb_data
+ self._nb_selected_data = nb_data
+
+ self.SetSize((WIDTH, HEIGHT))
+ self.list_of_ctrl = []
+ if not data_list:
+ return
+ select_data_text = " %s Data selected.\n" % str(self._nb_selected_data)
+ self._data_text_ctrl = wx.StaticText(self, wx.ID_ANY, str(select_data_text))
+
+ self._data_text_ctrl.SetForegroundColour('blue')
+ self._sizer_main = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_txt = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ self._choice_sizer = wx.GridBagSizer(5, 5)
+ self._panel = DialogPanel(self, style=wx.RAISED_BORDER,
+ size=(WIDTH - 20, HEIGHT / 3))
+ self.__do_layout(data_list, text=text)
+
+ def __do_layout(self, data_list, text=''):
+ """
+ layout the dialog
+ """
+ if not data_list or len(data_list) <= 1:
+ return
+ #add text
+ if text.strip() == "":
+ text = "Fitting: We recommend that you selected"
+ text += " no more than '%s' data\n" % str(self._max_data)
+ text += "for adequate plot display size. \n"
+ text += "unchecked data won't be send to fitting . \n"
+ text_ctrl = wx.StaticText(self, wx.ID_ANY, str(text))
+ self._sizer_txt.Add(text_ctrl)
+ iy = 0
+ ix = 0
+ data_count = 0
+ for i in range(len(data_list)):
+ data_count += 1
+ cb = wx.CheckBox(self._panel, wx.ID_ANY, str(data_list[i].name), (10, 10))
+ wx.EVT_CHECKBOX(self, cb.GetId(), self._count_selected_data)
+ if data_count <= MAX_NBR_DATA:
+ cb.SetValue(True)
+ else:
+ cb.SetValue(False)
+ self.list_of_ctrl.append((cb, data_list[i]))
+ self._choice_sizer.Add(cb, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ self._panel.SetSizer(self._choice_sizer)
+ #add sizer
+ self._sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+ self._sizer_button.Add(button_cancel, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ button_OK = wx.Button(self, wx.ID_OK, "Ok")
+ button_OK.SetFocus()
+ self._sizer_button.Add(button_OK, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ static_line = wx.StaticLine(self, wx.ID_ANY)
+ self._sizer_txt.Add(self._panel, 0, wx.EXPAND | wx.ALL, 10)
+ self._sizer_main.Add(self._sizer_txt, 0, wx.EXPAND | wx.ALL, 10)
+ self._sizer_main.Add(self._data_text_ctrl, 0, wx.EXPAND | wx.ALL, 10)
+ self._sizer_main.Add(static_line, 0, wx.EXPAND, 0)
+ self._sizer_main.Add(self._sizer_button, 0, wx.EXPAND | wx.ALL, 10)
+ self.SetSizer(self._sizer_main)
+ self.Layout()
+
+ def get_data(self):
+ """
+ return the selected data
+ """
+ temp = []
+ for item in self.list_of_ctrl:
+ cb, data = item
+ if cb.GetValue():
+ temp.append(data)
+ return temp
+
+ def _count_selected_data(self, event):
+ """
+ count selected data
+ """
+ if event.GetEventObject().GetValue():
+ self._nb_selected_data += 1
+ else:
+ self._nb_selected_data -= 1
+ select_data_text = " %s Data selected.\n" % str(self._nb_selected_data)
+ self._data_text_ctrl.SetLabel(select_data_text)
+ if self._nb_selected_data <= self._max_data:
+ self._data_text_ctrl.SetForegroundColour('blue')
+ else:
+ self._data_text_ctrl.SetForegroundColour('red')
diff --git a/src/sas/sasgui/perspectives/fitting/gpu_options.py b/src/sas/sasgui/perspectives/fitting/gpu_options.py
new file mode 100644
index 0000000..b8d10fb
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/gpu_options.py
@@ -0,0 +1,323 @@
+'''
+Module provides dialog for setting SAS_OPENCL variable, which defines
+device choice for OpenCL calculation
+
+Created on Nov 29, 2016
+
+ at author: wpotrzebowski
+'''
+
+import os
+import sys
+import warnings
+import wx
+import sasmodels
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+
+
+class CustomMessageBox(wx.Dialog):
+ """
+ Custom message box for OpenCL results
+ """
+ def __init__(self, parent, msg, title):
+
+ wx.Dialog.__init__(self, parent, title=title)
+
+ self.static_box = wx.StaticBox(self, -1, "OpenCL test completed!")
+ self.boxsizer = wx.BoxSizer(orient=wx.VERTICAL)
+
+ self.text = wx.TextCtrl(self, -1, size=(500, 300),
+ style=wx.TE_MULTILINE|wx.TE_READONLY)
+ self.text.SetValue(msg)
+ self.text.SetBackgroundColour(self.GetBackgroundColour())
+ self.text.SetFocus()
+ self.text.SetInsertionPoint(self.text.GetLastPosition())
+ self.boxsizer.Add(self.text, proportion=1, flag=wx.EXPAND)
+
+ self.fit_hsizer = wx.StaticBoxSizer(self.static_box, orient=wx.VERTICAL)
+ self.fit_hsizer.Add(self.boxsizer, 0, wx.ALL, 5)
+
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+ self.vbox.Add(self.fit_hsizer, 0, wx.ALL, 10)
+
+ self.message_text = wx.StaticText(self, -1, "If tests fail on OpenCL devices, "
+ "please select No OpenCL option.\n\n"
+ "In case of large number of failing tests, "
+ "please consider sending\n"
+ "above report to help at sasview.org.")
+
+ self.vbox.Add(self.message_text, 0, wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 10)
+
+ self.ok_btn = wx.Button(self, wx.ID_OK)
+
+ self.btn_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.btn_sizer.Add((10, 20), 1) # stretchable whitespace
+ self.btn_sizer.Add(self.ok_btn, 0)
+
+ self.vbox.Add(self.btn_sizer, 0, wx.EXPAND|wx.ALL, 10)
+
+ self.SetSizer(self.vbox)
+ self.vbox.Fit(self)
+
+ self.SetAutoLayout(True)
+ self.ShowModal()
+ self.Destroy()
+
+
+class GpuOptions(wx.Dialog):
+ """
+ "OpenCL options" Dialog Box
+
+ Provides dialog for setting SAS_OPENCL variable, which defines
+ device choice for OpenCL calculation
+
+ """
+
+ def __init__(self, *args, **kwds):
+
+ kwds["style"] = wx.DEFAULT_DIALOG_STYLE
+ wx.Dialog.__init__(self, *args, **kwds)
+
+ clinfo = self._get_clinfo()
+
+ self.panel1 = wx.Panel(self, -1)
+ static_box1 = wx.StaticBox(self.panel1, -1, "Available OpenCL Options:")
+
+ boxsizer = wx.BoxSizer(orient=wx.VERTICAL)
+ self.option_button = {}
+ self.buttons = []
+ #Check if SAS_OPENCL is already set as enviromental variable
+ self.sas_opencl = os.environ.get("SAS_OPENCL", "")
+
+ for clopt in clinfo:
+ button = wx.CheckBox(self.panel1, -1, label=clopt[1], name=clopt[1])
+
+ if clopt != "No OpenCL":
+ self.option_button[clopt[1]] = clopt[0]
+ if self.sas_opencl == clopt[0]:
+ button.SetValue(1)
+ else:
+ self.option_button[clopt] = "None"
+ if self.sas_opencl.lower() == "none":
+ button.SetValue(1)
+
+ self.Bind(wx.EVT_CHECKBOX, self.on_check, id=button.GetId())
+ self.buttons.append(button)
+ boxsizer.Add(button, 0, 0)
+
+ fit_hsizer = wx.StaticBoxSizer(static_box1, orient=wx.VERTICAL)
+ fit_hsizer.Add(boxsizer, 0, wx.ALL, 5)
+
+ self.panel1.SetSizer(fit_hsizer)
+
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+ self.vbox.Add(self.panel1, 0, wx.ALL, 10)
+
+ accept_btn = wx.Button(self, wx.ID_OK)
+ accept_btn.SetToolTipString("Accept new OpenCL settings. This will"
+ " override SAS_OPENCL variable if set")
+
+ help_id = wx.NewId()
+ help_btn = wx.Button(self, help_id, 'Help')
+ help_btn.SetToolTipString("Help on the GPU options")
+
+ reset_id = wx.NewId()
+ reset_btn = wx.Button(self, reset_id, 'Reset')
+ reset_btn.SetToolTipString("Restore initial settings")
+
+ test_id = wx.NewId()
+ test_btn = wx.Button(self, test_id, 'Test')
+ test_btn.SetToolTipString("Test if models compile on the given infrastructure")
+
+ self.Bind(wx.EVT_BUTTON, self.on_OK, accept_btn)
+ self.Bind(wx.EVT_BUTTON, self.on_test, test_btn)
+ self.Bind(wx.EVT_BUTTON, self.on_reset, reset_btn)
+ self.Bind(wx.EVT_BUTTON, self.on_help, help_btn)
+
+ test_text = wx.StaticText(self, -1, "WARNING: Running tests can take a few minutes!")
+ self.vbox.Add(test_text, 0, wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 10)
+
+ btn_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ btn_sizer.Add((10, 20), 1) # stretchable whitespace
+ btn_sizer.Add(accept_btn, 0)
+ btn_sizer.Add((10, 20), 0) # non-stretchable whitespace
+ btn_sizer.Add(test_btn, 0)
+ btn_sizer.Add((10, 20), 0) # non-stretchable whitespace
+ btn_sizer.Add(reset_btn, 0)
+ btn_sizer.Add((10, 20), 0) # non-stretchable whitespace
+ btn_sizer.Add(help_btn, 0)
+
+ # Add the button sizer to the main sizer.
+ self.vbox.Add(btn_sizer, 0, wx.EXPAND|wx.ALL, 10)
+
+ self.SetSizer(self.vbox)
+ self.vbox.Fit(self)
+ self.SetTitle("OpenCL options")
+ self.Centre()
+
+ def _get_clinfo(self):
+ """
+ Reading in information about available OpenCL infrastructure
+ :return:
+ """
+ clinfo = []
+ platforms = []
+ try:
+ import pyopencl as cl
+ platforms = cl.get_platforms()
+ except ImportError:
+ warnings.warn("pyopencl import failed. Using only CPU computations")
+
+ p_index = 0
+ for platform in platforms:
+ d_index = 0
+ devices = platform.get_devices()
+ for device in devices:
+ if len(devices) > 1 and len(platforms) > 1:
+ combined_index = ":".join([str(p_index), str(d_index)])
+ elif len(platforms) > 1:
+ combined_index = str(p_index)
+ else:
+ combined_index = str(d_index)
+ clinfo.append((combined_index, ":".join([platform.name, device.name])))
+ d_index += 1
+ p_index += 1
+
+ clinfo.append(("None", "No OpenCL"))
+ return clinfo
+
+ def on_check(self, event):
+ """
+ Action triggered when box is selected
+ :param event:
+ :return:
+ """
+ selected_button = event.GetEventObject()
+ for btn in self.buttons:
+ if btn != selected_button:
+ btn.SetValue(0)
+ if selected_button.GetValue():
+ self.sas_opencl = self.option_button[selected_button.Name]
+ else:
+ self.sas_opencl = None
+
+ def on_OK(self, event):
+ """
+ Close window on accpetance
+ """
+
+ #If statement added to handle Reset
+ if self.sas_opencl:
+ os.environ["SAS_OPENCL"] = self.sas_opencl
+ else:
+ if "SAS_OPENCL" in os.environ:
+ del os.environ["SAS_OPENCL"]
+
+ #Sasmodels kernelcl doesn't exist when initiated with None
+ if 'sasmodels.kernelcl' in sys.modules:
+ sasmodels.kernelcl.ENV = None
+
+ reload(sasmodels.core)
+ event.Skip()
+
+ def on_reset(self, event):
+ """
+ Resets selected values
+ """
+ for btn in self.buttons:
+ btn.SetValue(0)
+
+ self.sas_opencl = None
+
+ def on_test(self, event):
+ """
+ Run sasmodels check from here and report results from
+ """
+ import json
+ import platform
+ #import sasmodels
+
+ #The same block of code as for OK but it is needed if we want to have
+ #active response to Test button
+ no_opencl_msg = False
+ if self.sas_opencl:
+ os.environ["SAS_OPENCL"] = self.sas_opencl
+ if self.sas_opencl.lower() == "none":
+ no_opencl_msg = True
+ else:
+ if "SAS_OPENCL" in os.environ:
+ del os.environ["SAS_OPENCL"]
+
+ #Sasmodels kernelcl doesn't exist when initiated with None
+ if 'sasmodels.kernelcl' in sys.modules:
+ sasmodels.kernelcl.ENV = None
+
+
+ #Need to reload sasmodels.core module to account SAS_OPENCL = "None"
+ reload(sasmodels.core)
+
+
+ from sasmodels.model_test import model_tests
+
+ try:
+ from sasmodels.kernelcl import environment
+ env = environment()
+ clinfo = [(ctx.devices[0].platform.vendor,
+ ctx.devices[0].platform.version,
+ ctx.devices[0].vendor,
+ ctx.devices[0].name,
+ ctx.devices[0].version)
+ for ctx in env.context]
+ except ImportError:
+ clinfo = None
+
+ failures = []
+ tests_completed = 0
+ for test in model_tests():
+ try:
+ test()
+ except Exception:
+ failures.append(test.description)
+
+ tests_completed += 1
+
+ info = {
+ 'version': sasmodels.__version__,
+ 'platform': platform.uname(),
+ 'opencl': clinfo,
+ 'failing tests': failures,
+ }
+
+ msg_info = 'OpenCL tests results'
+
+ msg = str(tests_completed)+' tests completed.\n'
+ if len(failures) > 0:
+ msg += str(len(failures))+' tests failed.\n'
+ msg += 'Failing tests: '
+ msg += json.dumps(info['failing tests'])
+ msg += "\n"
+ else:
+ msg += "All tests passed!\n"
+
+ msg += "\nPlatform Details:\n\n"
+ msg += "Sasmodels version: "
+ msg += info['version']+"\n"
+ msg += "\nPlatform used: "
+ msg += json.dumps(info['platform'])+"\n"
+ if no_opencl_msg:
+ msg += "\nOpenCL driver: None"
+ else:
+ msg += "\nOpenCL driver: "
+ msg += json.dumps(info['opencl'])+"\n"
+
+ CustomMessageBox(self.panel1, msg, msg_info)
+
+ def on_help(self, event):
+ """
+ Provide help on opencl options.
+ """
+ TreeLocation = "user/gpu_computations.html"
+ anchor = "#device-selection"
+ DocumentationWindow(self, -1,
+ TreeLocation, anchor, "OpenCL Options Help")
diff --git a/src/sas/sasgui/perspectives/fitting/hint_fitpage.py b/src/sas/sasgui/perspectives/fitting/hint_fitpage.py
new file mode 100644
index 0000000..389ff30
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/hint_fitpage.py
@@ -0,0 +1,55 @@
+"""
+ This class provide general structure of fitpanel page
+"""
+import wx
+from sas.sasgui.guiframe.panel_base import PanelBase
+
+class HintFitPage(wx.ScrolledWindow, PanelBase):
+ """
+ This class provide general structure of fitpanel page
+ """
+ ## Internal name for the AUI manager
+ window_name = "Hint Page"
+ ## Title to appear on top of the window
+ window_caption = "Hint page "
+
+ def __init__(self, parent):
+ wx.ScrolledWindow.__init__(self, parent,
+ style=wx.FULL_REPAINT_ON_RESIZE)
+ PanelBase.__init__(self, parent)
+ msg = "right click on the data when it is highlighted "
+ msg += "the select option to fit for futher options"
+ self.do_layout()
+
+ def do_layout(self):
+ """
+ Draw the page
+ """
+ name = "Hint"
+ box_description = wx.StaticBox(self, wx.ID_ANY, name)
+ boxsizer = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ msg = " How to link data to the control panel: \n \n"
+ msg += " First load data file from 'File' menu. \n"
+ msg += " Then Highlight and right click on the data plot. \n"
+ msg += " Finally, select 'Select data for fitting' in the pop-up menu. \n"
+ self.hint_txt = wx.StaticText(self, wx.ID_ANY, msg, style=wx.ALIGN_LEFT)
+ boxsizer.Add(self.hint_txt, wx.ALL | wx.EXPAND, 20)
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+ self.vbox.Add(boxsizer)
+ self.vbox.Layout()
+ self.vbox.Fit(self)
+ self.SetSizer(self.vbox)
+ self.SetScrollbars(20, 20, 25, 65)
+ self.Layout()
+
+ def createMemento(self):
+ return
+
+
+class HelpWindow(wx.Frame):
+ def __init__(self, parent, id, title):
+ wx.Frame.__init__(self, parent, id, title, size=(570, 400))
+
+ self.page = HintFitPage(self)
+ self.Centre()
+ self.Show(True)
diff --git a/src/sas/sasgui/perspectives/fitting/media/M_angles_pic.bmp b/src/sas/sasgui/perspectives/fitting/media/M_angles_pic.bmp
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diff --git a/src/sas/sasgui/perspectives/fitting/media/edit_model_menu.png b/src/sas/sasgui/perspectives/fitting/media/edit_model_menu.png
new file mode 100644
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diff --git a/src/sas/sasgui/perspectives/fitting/media/file_menu.bmp b/src/sas/sasgui/perspectives/fitting/media/file_menu.bmp
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diff --git a/src/sas/sasgui/perspectives/fitting/media/fitting.rst b/src/sas/sasgui/perspectives/fitting/media/fitting.rst
new file mode 100644
index 0000000..7e8c9d7
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/fitting.rst
@@ -0,0 +1,30 @@
+.. _Fitting_Documentation:
+
+Fitting Documentation
+=====================
+
+.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
+
+.. toctree::
+ :maxdepth: 1
+
+ Fitting Data <fitting_help>
+
+ Assessing Fit Quality <residuals_help>
+
+ Polydispersity Distributions <pd_help>
+
+ Smearing Functions <sm_help>
+
+ Polarisation/Magnetic Scattering <mag_help>
+
+ Information on the SasView Optimisers <optimizer.rst>
+
+ Converting SANS to SESANS for Fitting <../../../sans_to_sesans>
+
+ Fitting SESANS Data <../../../sesans_fitting.rst>
+
+ Writing a Plugin Model <plugin.rst>
+
+ Computations with a GPU <../../../gpu_computations>
+
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/fitting/media/fitting_help.rst b/src/sas/sasgui/perspectives/fitting/media/fitting_help.rst
new file mode 100644
index 0000000..2c35c1d
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/fitting_help.rst
@@ -0,0 +1,641 @@
+.. fitting_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. |inlineimage004| image:: sm_image004.gif
+.. |inlineimage005| image:: sm_image005.gif
+.. |inlineimage008| image:: sm_image008.gif
+.. |inlineimage009| image:: sm_image009.gif
+.. |inlineimage010| image:: sm_image010.gif
+.. |inlineimage011| image:: sm_image011.gif
+.. |inlineimage012| image:: sm_image012.gif
+.. |inlineimage018| image:: sm_image018.gif
+.. |inlineimage019| image:: sm_image019.gif
+
+
+Fitting
+=======
+
+.. note:: If some code blocks are not readable, expand the documentation window
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Preparing to fit data
+---------------------
+
+To fit some data you must first load some data, activate one or more data sets,
+send those data sets to fitting, and select a model to fit to each data set.
+
+Instructions on how to load and activate data are in the section :ref:`Loading_data`.
+
+SasView can fit data in one of three ways:
+
+* in *Single* fit mode - individual data sets are fitted independently one-by-one
+
+* in *Simultaneous* fit mode - multiple data sets are fitted simultaneously to
+ the *same* model with/without constrained parameters (this might be useful,
+ for example, if you have measured the same sample at different contrasts)
+
+* in *Batch* fit mode - multiple data sets are fitted sequentially to the *same* model (this might be useful, for example, if you have performed a kinetic or time-resolved experiment and have *lots* of data sets!)
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Selecting a model
+-----------------
+
+The models in SasView are grouped into categories. By default these consist of:
+
+* *Cylinder* - cylindrical shapes (disc, right cylinder, cylinder with endcaps
+ etc)
+* *Ellipsoid* - ellipsoidal shapes (oblate,prolate, core shell, etc)
+* *Parellelepiped* - as the name implies
+* *Sphere* - sheroidal shapes (sphere, core multishell, vesicle, etc)
+* *Lamellae* - lamellar shapes (lamellar, core shell lamellar, stacked
+ lamellar, etc)
+* *Shape-Independent* - models describing structure in terms of density correlation functions, fractals, peaks, power laws, etc
+* *Paracrystal* - semi ordered structures (bcc, fcc, etc)
+* *Structure Factor* - S(Q) models
+* *Plugin Models* - User-created (custom/non-library) Python models
+
+Use the *Category* drop-down menu to chose a category of model, then select
+a model from the drop-down menu beneath. A graph of the chosen model, calculated
+using default parameter values, will appear. The graph will update dynamically
+as the parameter values are changed.
+
+You can decide your own model categorizations using the :ref:`Category_Manager`.
+
+Once you have selected a model you can read its help documentation by clicking
+on the *Description* button to the right.
+
+Show 1D/2D
+^^^^^^^^^^
+
+Models are normally fitted to 1D (ie, I(Q) vs Q) data sets, but some models in
+SasView can also be fitted to 2D (ie, I(Qx,Qy) vs Qx vs Qy) data sets.
+
+*NB: Magnetic scattering can only be fitted in SasView in 2D.*
+
+To activate 2D fitting mode, click the *Show 2D* button on the *Fit Page*. To
+return to 1D fitting model, click the same button (which will now say *Show 1D*).
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Category_Manager:
+
+Category Manager
+----------------
+
+To change the model categorizations, either choose *Category Manager* from the
+*View* option on the menubar, or click on the *Modify* button on the *Fit Page*.
+
+.. image:: cat_fig0.bmp
+
+The categorization of all models except the user supplied Plugin Models can be
+reassigned, added to, and removed using *Category Manager*. Models can also be
+hidden from view in the drop-down menus.
+
+.. image:: cat_fig1.bmp
+
+Changing category
+^^^^^^^^^^^^^^^^^
+
+To change category, highlight a model in the list by left-clicking on its entry
+and then click the *Modify* button. Use the *Change Category* panel that appears
+to make the required changes.
+
+.. image:: cat_fig2.bmp
+
+To create a category for the selected model, click the *Add* button. In order
+to delete a category, select the category name and click the *Remove Selected*
+button. Then click *Done*.
+
+Showing/hiding models
+^^^^^^^^^^^^^^^^^^^^^
+
+Use the *Enable All / Disable All* buttons and the check boxes beside each model
+to select the models to show/hide. To apply the selection, click *Ok*. Otherwise
+click *Cancel*.
+
+*NB: It may be necessary to change to a different category and then back again*
+*before any changes take effect.*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Model Functions
+---------------
+
+For a complete list of all the library models available in SasView, see
+the `Model Documentation <../../../index.html>`_ .
+
+It is also possible to add your own models.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Adding_your_own_models:
+
+Adding your own Models
+----------------------
+
+There are essentially three ways to generate new fitting models for SasView:
+
+* Using the SasView :ref:`New_Plugin_Model` helper dialog (best for beginners
+ and/or relatively simple models)
+* By copying/editing an existing model (this can include models generated by
+ the New Plugin Model* dialog) in the :ref:`Python_shell` or
+ :ref:`Advanced_Plugin_Editor` (suitable for all use cases)
+* By writing a model from scratch outside of SasView (only recommended for code
+ monkeys!)
+
+Please read the guidance on :ref:`Writing_a_Plugin` before proceeding.
+
+**To be found by SasView your model must reside in the *~\\.sasview\\plugin_models* folder.**
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Plugin_Model_Operations:
+
+Plugin Model Operations
+-----------------------
+
+From the *Fitting* option in the menu bar, select *Plugin Model Operations*
+
+.. image:: edit_model_menu.png
+
+and then one of the sub-options
+
+* *New Plugin Model* - to create a plugin model template with a helper dialog
+* *Sum|Multi(p1,p2)* - to create a plugin model by summing/multiplying *existing models* in the model library
+* *Advanced Plugin Editor* - to create/edit a plugin model in a Python shell
+* *Delete Plugin Models* - to delete a plugin model
+* *Load Plugin Models* - to (re-)load plugin models
+
+.. _New_Plugin_Model:
+
+New Plugin Model
+^^^^^^^^^^^^^^^^
+
+Relatively straightforward models can be programmed directly from the SasView
+GUI using the *New Plugin Model Function*.
+
+.. image:: new_model.bmp
+
+When using this feature, be aware that even if your code has errors, including
+syntax errors, a model file is still generated. When you then correct the errors
+and click 'Apply' again to re-compile you will get an error informing you that
+the model already exists if the 'Overwrite' box is not checked. In this case you
+will need to supply a new model function name. By default the 'Overwrite' box is
+*checked*\ .
+
+Also note that the 'Fit Parameters' have been split into two sections: those
+which can be polydisperse (shape and orientation parameters) and those which are
+not (eg, scattering length densities).
+
+A model file generated by this option can be viewed and further modified using
+the :ref:`Advanced_Plugin_Editor` .
+
+Sum|Multi(p1,p2)
+^^^^^^^^^^^^^^^^
+
+.. image:: sum_model.bmp
+
+This option creates a custom Plugin Model of the form::
+
+ Plugin Model = scale_factor * {(scale_1 * model_1) +/- (scale_2 * model_2)} + background
+
+or::
+
+ Plugin Model = scale_factor * model_1 /* model_2 + background
+
+In the *Easy Sum/Multi Editor* give the new model a function name and brief
+description (to appear under the *Details* button on the *FitPage*). Then select
+two existing models, as p1 and p2, and the required operator, '+' or '*' between
+them. Finally, click the *Apply* button to generate the model and then click *Close*.
+
+Any changes to a plugin model generated in this way only become effective *after* it is re-selected from the model drop-down menu on the FitPage.
+
+.. _Advanced_Plugin_Editor:
+
+Advanced Plugin Editor
+^^^^^^^^^^^^^^^^^^^^^^
+
+Selecting this option shows all the plugin models in the plugin model folder, on Windows this is
+
+ *C:\\Users\\{username}\\.sasview\\plugin_models*
+
+You can edit, modify, and save the Python code in any of these models using the
+*Advanced Plugin Model Editor*. Note that this is actually the same tool as the :ref:`Python_shell` .
+
+For details of the SasView plugin model format see :ref:`Writing_a_Plugin` .
+
+.. note:: Model files generated with the Sum/Multi option are still using the SasView 3.x model format. Unless you are confident about what you are doing, it is recommended that you only modify lines denoted with the ## <----- comments!
+
+When editing is complete, select *Run* > *Check Model* from the *Advanced Plugin Model Editor* menu bar. An *Info* box will appear with the results of the compilation and model unit tests. The model will only be usable if the tests 'pass'.
+
+.. image:: ../calculator/new_pycrust_example_2.png
+
+To use the model, go to the relevant *Fit Page*, select the *Plugin Models*
+category and then select the model from the drop-down menu.
+
+Any changes to a plugin model generated in this way only become effective *after* it is re-selected from the model drop-down menu on the FitPage.
+
+Delete Plugin Models
+^^^^^^^^^^^^^^^^^^^^
+
+Simply highlight the plugin model to be removed. The operation is final!!!
+
+*NB: Models shipped with SasView cannot be removed in this way.*
+
+Load Plugin Models
+^^^^^^^^^^^^^^^^^^
+
+This option loads (or re-loads) all models present in the
+*~\\.sasview\\plugin_models* folder.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Fitting_Options:
+
+Fitting Options
+---------------
+
+It is possible to specify which optimiser SasView should use to fit the data, and
+to modify some of the configurational parameters for each optimiser.
+
+From *Fitting* in the menu bar select *Fit Options*, then select one of the following
+optimisers:
+
+* DREAM
+* Levenberg-Marquardt
+* Quasi-Newton BFGS
+* Differential Evolution
+* Nelder-Mead Simplex
+
+The DREAM optimiser is the most sophisticated, but may not necessarily be the best
+option for fitting simple models. If uncertain, try the Levenberg-Marquardt optimiser
+initially.
+
+These optimisers form the *Bumps* package written by P Kienzle. For more information
+on each optimiser, see the :ref:`Fitting_Documentation`.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Fitting Limits
+--------------
+
+By default, *SasView* will attempt to model fit the full range of the data; ie,
+across all *Q* values. If necessary, however, it is possible to specify only a
+sub-region of the data for fitting.
+
+In a *FitPage* or *BatchPage* change the *Q* values in the *Min* and/or *Max*
+text boxes. Vertical coloured bars will appear on the graph with the data and
+'theory' indicating the current *Q* limits (red = *Qmin*, purple = *Qmax*).
+
+To return to including all data in the fit, click the *Reset* button.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+
+Shortcuts
+---------
+
+Copy/Paste Parameters
+^^^^^^^^^^^^^^^^^^^^^
+
+It is possible to copy the parameters from one *Fit Page* and to paste them into
+another *Fit Page* using the same model.
+
+To *copy* parameters, either:
+
+* Select *Edit -> Copy Params* from the menu bar, or
+* Use Ctrl(Cmd on Mac) + Left Mouse Click on the *Fit Page*.
+
+To *paste* parameters, either:
+
+* Select *Edit -> Paste Params* from the menu bar, or
+* Use Ctrl(Cmd on Mac) + Shift + Left-click on the *Fit Page*.
+
+If either operation is successful a message will appear in the info line at the
+bottom of the SasView window.
+
+Bookmark
+^^^^^^^^
+
+To *Bookmark* a *Fit Page* either:
+
+* Select a *Fit Page* and then click on *Bookmark* in the tool bar, or
+* Right-click and select the *Bookmark* in the popup menu.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Status_bar:
+
+Status Bar & Console
+--------------------
+
+The status bar is located at the bottom of the SasView window and displays
+messages, hints, warnings and errors.
+
+At the right-hand side of the status bar is a button marked *Console*. The *Console*
+displays available message history and some run-time traceback information.
+
+During a long task the *Console* can also be used to monitor the progress.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Single_Fit_Mode:
+
+Single Fit Mode
+---------------
+
+*NB: Before proceeding, ensure that the Single Mode radio button at the bottom of*
+*the Data Explorer is checked (see the section* :ref:`Loading_data` *).*
+
+This mode fits one data set.
+
+When data is sent to the fitting it is plotted in a graph window as markers.
+
+If a graph does not appear, or a graph window appears but is empty, then the data
+has not loaded correctly. Check to see if there is a message in the :ref:`Status_Bar`
+or in the *Console* window.
+
+Assuming the data has loaded correctly, when a model is selected a green model
+calculation (or what SasView calls a 'Theory') line will appear in the earlier graph
+window, and a second graph window will appear displaying the residuals (the
+difference between the experimental data and the theory) at the same X-data values.
+See :ref:`Assessing_Fit_Quality`.
+
+The objective of model-fitting is to find a *physically-plausible* model, and set
+of model parameters, that generate a theory that reproduces the experimental data
+and gives residual values as close to zero as possible.
+
+Change the default values of the model parameters by hand until the theory line
+starts to represent the experimental data. Then uncheck the tick boxes alongside
+all parameters *except* the 'background' and the 'scale'. Click the *Fit* button.
+SasView will optimise the values of the 'background' and 'scale' and also display
+the corresponding uncertainties on the optimised values.
+
+*NB: If no uncertainty is shown it generally means that the model is not very*
+*dependent on the corresponding parameter (or that one or more parameters are*
+*'correlated').*
+
+In the bottom left corner of the *Fit Page* is a box displaying the normalised value
+of the statistical |chi|\ :sup:`2` parameter returned by the optimiser.
+
+Now check the box for another model parameter and click *Fit* again. Repeat this
+process until most or all parameters are checked and have been optimised. As the
+fit of the theory to the experimental data improves the value of 'chi2/Npts' will
+decrease. A good model fit should easily produce values of 'chi2/Npts' that are
+close to zero, and certainly <100. See :ref:`Assessing_Fit_Quality`.
+
+SasView has a number of different optimisers (see the section :ref:`Fitting_Options`).
+The DREAM optimiser is the most sophisticated, but may not necessarily be the best
+option for fitting simple models. If uncertain, try the Levenberg-Marquardt optimiser
+initially.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Simultaneous Fit Mode
+---------------------
+
+*NB: Before proceeding, ensure that the Single Mode radio button at the bottom of*
+*the Data Explorer is checked (see the section* :ref:`Loading_data` *).*
+
+This mode is an extension of the :ref:`Single_Fit_Mode` that fits two or more data
+sets *to the same model* simultaneously. If necessary it is possible to constrain
+fit parameters between data sets (eg, to fix a background level, or radius, etc).
+
+If the data to be fit are in multiple files, load each file, then select each file
+in the *Data Explorer*, and *Send To Fitting*. If multiple data sets are in one file,
+load that file, *Unselect All Data*, select just those data sets to be fitted, and
+*Send To Fitting*. Either way, the result should be that for *n* data sets you have
+2\ *n* graphs (*n* of the data and model fit, and *n* of the resulting residuals). But
+it may be helpful to minimise the residuals plots for clarity. Also see
+:ref:`Assessing_Fit_Quality`.
+
+*NB: If you need to use a custom Plugin Model, you must ensure that model is
+available first (see* :ref:`Adding_your_own_models` *).*
+
+Method
+^^^^^^
+
+Now go to each *FitPage* in turn and:
+
+ Select the required category and model;
+
+ Unselect all the model parameters;
+
+ Enter some starting guesses for the parameters;
+
+ Enter any parameter limits (recommended);
+
+ Select which parameters will refine (selecting all is generally a bad idea...);
+
+When done, select *Constrained or Simultaneous Fit* under *Fitting* in the menu bar.
+
+In the *Const & Simul Fit* page that appears, select which data sets are to be
+simultaneously fitted (this will probably be all of them or you would not have loaded
+them in the first place!).
+
+To tie parameters between the data sets with constraints, check the 'yes' radio button
+next to *Add Constraint?* in the *Fit Constraints* box.
+
+*NB: You can only constrain parameters that are set to refine.*
+
+When ready, click the *Fit* button on the *Const & Simul Fit* page, NOT the *Fit*
+button on the individual *FitPage*'s.
+
+Simultaneous Fits without Constraints
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+The results of the model-fitting will be returned to each of the individual
+*FitPage*'s.
+
+Note that the chi2/Npts value returned is the SUM of the chi2/Npts of each fit. To
+see the chi2/Npts value for a specific *FitPage*, click the *Compute* button at the
+bottom of that *FitPage* to recalculate. Also see :ref:`Assessing_Fit_Quality`.
+
+Simultaneous Fits with Constraints
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+Use the *Easy Setup* drop-down buttons in the *Const & Simul Fit* page to set
+up constraints between *FitPage*'s.
+
+Constraints will generally be of the form
+
+ Mi Parameter1 = Mj.Parameter1
+
+however the text box after the '=' sign can be used to adjust this
+relationship; for example
+
+ Mi Parameter1 = scalar \* Mj.Parameter1
+
+A 'free-form' constraint box is also provided.
+
+Many constraints can be entered for a single fit.
+
+The results of the model-fitting will be returned to each of the individual
+*FitPage*'s.
+
+Note that the chi2/Npts value returned is the SUM of the chi2/Npts of each fit. To
+see the chi2/Npts value for a specific *FitPage*, click the *Compute* button at the
+bottom of that *FitPage* to recalculate. Also see :ref:`Assessing_Fit_Quality`.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Batch Fit Mode
+--------------
+
+*NB: Before proceeding, ensure that the Single Mode radio button at the bottom of*
+*the Data Explorer is checked (see the section* :ref:`Loading_data` *). The Batch*
+*Mode button will be used later on!*
+
+This mode *sequentially* fits two or more data sets *to the same model*. Unlike in
+simultaneous fitting, in batch fitting it is not possible to constrain fit parameters
+between data sets.
+
+If the data to be fit are in multiple files, load each file in the *Data Explorer*.
+If multiple data sets are in one file, load just that file. *Unselect All Data*, then
+select a single initial data set to be fitted. Fit that selected data set as described
+above under :ref:`Single_Fit_Mode`.
+
+*NB: If you need to use a custom Plugin Model, you must ensure that model is
+available first (see* :ref:`Adding_your_own_models` *).*
+
+Method
+^^^^^^
+
+Now *Select All Data* in the *Data Explorer*, check the *Batch Mode* radio button
+at the bottom of that panel and *Send To Fitting*. A *BatchPage* will be created.
+
+.. image:: batch_button_area.bmp
+
+*NB: The Batch Page can also be created by checking the Batch Mode radio button*
+*and selecting New Fit Page under Fitting in the menu bar.*
+
+Using the drop-down menus in the *BatchPage*, now set up the *same* data set
+with the *same* model that you just fitted in single fit mode. A quick way to
+set the model parameter values is to just copy them from the earlier Single
+Fit. To do this, go back to the Single Fit *FitPage*, select *Copy Params*
+under *Edit* in the menu bar, then go back to the *BatchPage* and *Paste Params*.
+
+When ready, use the *Fit* button on the *BatchPage* to perform the fitting, NOT
+the *Fit* button on the individual *FitPage*'s.
+
+Unlike in single fit mode, the results of batch fits are not returned to
+the *BatchPage*. Instead, a spreadsheet-like :ref:`Grid_Window` will appear.
+
+If you want to visually check a graph of a particular fit, click on the name of
+a *Data set* in the *Grid Window* and then click the *View Fits* button. The
+data and the model fit will be displayed. If you select mutliple data sets they
+will all appear on one graph.
+
+.. image:: view_button.bmp
+
+*NB: In theory, returning to the BatchPage and changing the name of the I(Q)*
+*data source should also work, but at the moment whilst this does change the*
+*data set displayed it always superimposes the 'theory' corresponding to the*
+*starting parameters.*
+
+If you select a 'Chi2' value and click the *View Fits* button a graph of the
+residuals for that data set is displayed. Again, if you select multiple 'Chi2'
+values then all the residuals data will appear on one graph. Also see
+:ref:`Assessing_Fit_Quality`.
+
+Chain Fitting
+^^^^^^^^^^^^^
+
+By default, the *same* parameter values copied from the initial single fit into
+the *BatchPage* will be used as the starting parameters for all batch fits. It
+is, however, possible to get *SasView* to use the results of a fit to a preceding
+data set as the starting parameters for the next fit in the sequence. This
+variation of batch fitting is called *Chain Fitting*, and will considerably speed
+up model-fitting if you have lots of very similar data sets where a few parameters
+are gradually changing. Do not use chain fitting on disparate data sets.
+
+To use chain fitting, select *Chain Fitting* under *Fitting* in the menu bar. It
+toggles on/off, so selecting it again will switch back to normal batch fitting.
+
+.. _Grid_Window:
+
+Grid Window
+^^^^^^^^^^^
+
+The *Grid Window* provides an easy way to view the results from batch fitting.
+It will be displayed automatically when a batch fit completes, but may be
+opened at any time by selecting *Show Grid Window* under *View* in the menu
+bar.
+
+.. image:: restore_batch_window.bmp
+
+Once a batch fit is completed, all model parameters are displayed but *not*
+their uncertainties. To view the uncertainties, click on a given column then
+go to *Edit* in the menu bar, select *Insert Column Before* and choose the
+required data from the list. An empty column can be inserted in the same way.
+
+To remove a column from the grid, click on the column header and choose
+*Remove Column* under *Edit* in the menu bar. The same functionality also
+allows you to re-order columns.
+
+*NB: You cannot insert/remove/re-order the rows in the Grid Window.*
+
+All of the above functions are also available by right-clicking on a column
+label.
+
+.. image:: edit_menu.bmp
+
+*NB: If there is an existing Grid Window and another batch fit is performed,*
+*an additional 'Table' tab will be added to the Grid Window.*
+
+The parameter values in the *currently selected* table of the *Grid Window*
+can be output to a CSV file by choosing *Save As* under *File* in the (*Grid*
+*Window*) menu bar. The default filename includes the date and time that the
+batch fit was performed.
+
+Saved CSV files can be reloaded by choosing *Open* under *File* in the *Grid*
+*Window* menu bar. The loaded parameters will appear in a new table tab.
+
+.. image:: file_menu.bmp
+
+*NB: Saving the Grid Window does not save any experimental data, residuals*
+*or actual model fits. Consequently if you reload a saved CSV file the*
+*ability to View Fits will be lost.*
+
+Parameter Plots
+^^^^^^^^^^^^^^^
+
+Any column of *numeric* parameter values can be plotted against another using
+the *Grid Window*. Simply select one column at the time and click the *Add*
+button next to the required *X/Y-axis Selection Range* text box. When both
+the X and Y axis boxes have been completed, click the *Plot* button.
+
+When the *Add* button is clicked, *SasView* also automatically completes the
+*X/Y-axis Label* text box with the heading from Row 1 of the selected table,
+but different labels and units can be entered manually.
+
+.. image:: plot_button.bmp
+
+The *X/Y-axis Selection Range* can be edited manually. The text control box
+recognises the operators +, -, \*, /, or 'pow', and allows the following
+types of expression :
+
+ 1) if an axis label range is a function of 1 or more *columns*, write
+ this type of expression
+
+ constant1 * column_name1 [minimum row index : maximum row index]
+ operator constant2 * column_name2 [minimum row index : maximum row index]
+
+ Example: radius [2 : 5] -3 * scale [2 : 5]
+
+ 2) if only some *values* of a given column are needed but the range between
+ the first row and the last row used is not continuous, write this type of
+ expression
+
+ column_name1 [minimum row index1 : maximum row index1] , column_name1
+ [minimum row index2 : maximum row index2]
+
+ Example: radius [2 : 5] , radius [10 : 25]
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 10Oct2016
diff --git a/src/sas/sasgui/perspectives/fitting/media/m0x_eq.gif b/src/sas/sasgui/perspectives/fitting/media/m0x_eq.gif
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diff --git a/src/sas/sasgui/perspectives/fitting/media/mag_help.rst b/src/sas/sasgui/perspectives/fitting/media/mag_help.rst
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--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/mag_help.rst
@@ -0,0 +1,107 @@
+.. mag_help.rst
+
+.. This is a port of text from the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. |inlineimage004| image:: sm_image004.gif
+.. |inlineimage005| image:: sm_image005.gif
+.. |inlineimage008| image:: sm_image008.gif
+.. |inlineimage009| image:: sm_image009.gif
+.. |inlineimage010| image:: sm_image010.gif
+.. |inlineimage011| image:: sm_image011.gif
+.. |inlineimage012| image:: sm_image012.gif
+.. |inlineimage018| image:: sm_image018.gif
+.. |inlineimage019| image:: sm_image019.gif
+
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Polarisation/Magnetic Scattering
+--------------------------------
+
+Magnetic scattering is implemented in five (2D) models
+
+* *sphere*
+* *core_shell_sphere*
+* *core_multi_shell*
+* *cylinder*
+* *parallelepiped*
+
+In general, the scattering length density (SLD, = |beta|) in each region where the
+SLD is uniform, is a combination of the nuclear and magnetic SLDs and, for polarised
+neutrons, also depends on the spin states of the neutrons.
+
+For magnetic scattering, only the magnetization component, *M*\ :sub:`perp`,
+perpendicular to the scattering vector *Q* contributes to the the magnetic
+scattering length.
+
+.. image:: mag_vector.bmp
+
+The magnetic scattering length density is then
+
+.. image:: dm_eq.gif
+
+where |gamma| = -1.913 is the gyromagnetic ratio, |mu|\ :sub:`B` is the
+Bohr magneton, *r*\ :sub:`0` is the classical radius of electron, and |sigma|
+is the Pauli spin.
+
+Assuming that incident neutrons are polarized parallel (+) and anti-parallel (-)
+to the *x'* axis, the possible spin states after the sample are then
+
+No spin-flips (+ +) and (- -)
+
+Spin-flips (+ -) and (- +)
+
+.. image:: M_angles_pic.bmp
+
+If the angles of the *Q* vector and the spin-axis (*x'*) to the *x*-axis are |phi|
+and |theta|\ :sub:`up`, respectively, then, depending on the spin state of the
+neutrons, the scattering length densities, including the nuclear scattering
+length density (|beta|\ :sub:`N`) are
+
+.. image:: sld1.gif
+
+when there are no spin-flips, and
+
+.. image:: sld2.gif
+
+when there are, and
+
+.. image:: mxp.gif
+
+.. image:: myp.gif
+
+.. image:: mzp.gif
+
+.. image:: mqx.gif
+
+.. image:: mqy.gif
+
+Here, *M*\ :sub:`0x`, *M*\ :sub:`0y` and *M*\ :sub:`0z` are the x, y and z components
+of the magnetization vector given in the laboratory xyz frame given by
+
+.. image:: m0x_eq.gif
+
+.. image:: m0y_eq.gif
+
+.. image:: m0z_eq.gif
+
+and the magnetization angles |theta|\ :sub:`M` and |phi|\ :sub:`M` are defined in
+the figure above.
+
+The user input parameters are:
+
+=========== ================================================================
+ M0_sld = *D*\ :sub:`M` *M*\ :sub:`0`
+ Up_theta = |theta|\ :sub:`up`
+ M_theta = |theta|\ :sub:`M`
+ M_phi = |phi|\ :sub:`M`
+ Up_frac_i = (spin up)/(spin up + spin down) neutrons *before* the sample
+ Up_frac_f = (spin up)/(spin up + spin down) neutrons *after* the sample
+=========== ================================================================
+
+*Note:* The values of the 'Up_frac_i' and 'Up_frac_f' must be in the range 0 to 1.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 02May2015
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diff --git a/src/sas/sasgui/perspectives/fitting/media/pd_help.rst b/src/sas/sasgui/perspectives/fitting/media/pd_help.rst
new file mode 100644
index 0000000..8b98bfc
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/pd_help.rst
@@ -0,0 +1,194 @@
+.. pd_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. |inlineimage004| image:: sm_image004.gif
+.. |inlineimage005| image:: sm_image005.gif
+.. |inlineimage008| image:: sm_image008.gif
+.. |inlineimage009| image:: sm_image009.gif
+.. |inlineimage010| image:: sm_image010.gif
+.. |inlineimage011| image:: sm_image011.gif
+.. |inlineimage012| image:: sm_image012.gif
+.. |inlineimage018| image:: sm_image018.gif
+.. |inlineimage019| image:: sm_image019.gif
+
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Polydispersity Distributions
+----------------------------
+
+With some models SasView can calculate the average form factor for a population
+of particles that exhibit size and/or orientational polydispersity. The resultant
+form factor is normalized by the average particle volume such that
+
+*P(q) = scale* * \ <F*\F> / *V + bkg*
+
+where F is the scattering amplitude and the \<\> denote an average over the size
+distribution.
+
+Users should note that this computation is very intensive. Applying polydispersion
+to multiple parameters at the same time, or increasing the number of *Npts* values
+in the fit, will require patience! However, the calculations are generally more
+robust with more data points or more angles.
+
+SasView uses the term *PD* for a size distribution (and not to be confused with a
+molecular weight distributions in polymer science) and the term *Sigma* for an
+angular distribution.
+
+The following five distribution functions are provided:
+
+* *Rectangular Distribution*
+* *Gaussian Distribution*
+* *Lognormal Distribution*
+* *Schulz Distribution*
+* *Array Distribution*
+
+These are all implemented in SasView as *number-average* distributions.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Rectangular Distribution
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+The Rectangular Distribution is defined as
+
+.. image:: pd_image001.png
+
+where *xmean* is the mean of the distribution, *w* is the half-width, and *Norm* is a
+normalization factor which is determined during the numerical calculation.
+
+Note that the standard deviation and the half width *w* are different!
+
+The standard deviation is
+
+.. image:: pd_image002.png
+
+whilst the polydispersity is
+
+.. image:: pd_image003.png
+
+.. image:: pd_image004.jpg
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Gaussian Distribution
+^^^^^^^^^^^^^^^^^^^^^
+
+The Gaussian Distribution is defined as
+
+.. image:: pd_image005.png
+
+where *xmean* is the mean of the distribution and *Norm* is a normalization factor
+which is determined during the numerical calculation.
+
+The polydispersity is
+
+.. image:: pd_image003.png
+
+
+.. image:: pd_image006.jpg
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Lognormal Distribution
+^^^^^^^^^^^^^^^^^^^^^^
+
+The Lognormal Distribution is defined as
+
+.. image:: pd_image007.png
+
+where |mu|\ =ln(*xmed*), *xmed* is the median value of the distribution, and
+*Norm* is a normalization factor which will be determined during the numerical
+calculation.
+
+The median value for the distribution will be the value given for the respective
+size parameter in the *FitPage*, for example, radius = 60.
+
+The polydispersity is given by |sigma|
+
+.. image:: pd_image008.png
+
+For the angular distribution
+
+.. image:: pd_image009.png
+
+The mean value is given by *xmean*\ =exp(|mu|\ +p\ :sup:`2`\ /2). The peak value
+is given by *xpeak*\ =exp(|mu|-p\ :sup:`2`\ ).
+
+.. image:: pd_image010.jpg
+
+This distribution function spreads more, and the peak shifts to the left, as *p*
+increases, requiring higher values of Nsigmas and Npts.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Schulz Distribution
+^^^^^^^^^^^^^^^^^^^
+
+The Schulz distribution is defined as
+
+.. image:: pd_image011.png
+
+where *xmean* is the mean of the distribution and *Norm* is a normalization factor
+which is determined during the numerical calculation, and *z* is a measure of the
+width of the distribution such that
+
+z = (1-p\ :sup:`2`\ ) / p\ :sup:`2`
+
+The polydispersity is
+
+.. image:: pd_image012.png
+
+Note that larger values of PD might need larger values of Npts and Nsigmas.
+For example, at PD=0.7 and radius=60 |Ang|, Npts>=160 and Nsigmas>=15 at least.
+
+.. image:: pd_image013.jpg
+
+For further information on the Schulz distribution see:
+M Kotlarchyk & S-H Chen, *J Chem Phys*, (1983), 79, 2461.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Array Distribution
+^^^^^^^^^^^^^^^^^^
+
+This user-definable distribution should be given as as a simple ASCII text file
+where the array is defined by two columns of numbers: *x* and *f(x)*. The *f(x)*
+will be normalized by SasView during the computation.
+
+Example of what an array distribution file should look like:
+
+==== =====
+ 30 0.1
+ 32 0.3
+ 35 0.4
+ 36 0.5
+ 37 0.6
+ 39 0.7
+ 41 0.9
+==== =====
+
+SasView only uses these array values during the computation, therefore any mean
+value of the parameter represented by *x* present in the *FitPage*
+will be ignored.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Note about DLS polydispersity
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+Many commercial Dynamic Light Scattering (DLS) instruments produce a size
+polydispersity parameter, sometimes even given the symbol *p*! This parameter is
+defined as the relative standard deviation coefficient of variation of the size
+distribution and is NOT the same as the polydispersity parameters in the Lognormal
+and Schulz distributions above (though they all related) except when the DLS
+polydispersity parameter is <0.13.
+
+For more information see:
+S King, C Washington & R Heenan, *Phys Chem Chem Phys*, (2005), 7, 143
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
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diff --git a/src/sas/sasgui/perspectives/fitting/media/plugin.rst b/src/sas/sasgui/perspectives/fitting/media/plugin.rst
new file mode 100644
index 0000000..991b4db
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/plugin.rst
@@ -0,0 +1,1012 @@
+.. _Writing_a_Plugin:
+
+Writing a Plugin Model
+======================
+
+.. note:: If some code blocks are not readable, expand the documentation window
+
+Introduction
+^^^^^^^^^^^^
+
+There are essentially three ways to generate new fitting models for SasView:
+
+* Using the SasView :ref:`New_Plugin_Model` helper dialog (best for beginners
+ and/or relatively simple models)
+* By copying/editing an existing model (this can include models generated by
+ the *New Plugin Model* dialog) in the :ref:`Python_shell` or
+ :ref:`Advanced_Plugin_Editor` as described below (suitable for all use cases)
+* By writing a model from scratch outside of SasView (only recommended for
+ code monkeys!)
+
+Overview
+^^^^^^^^
+
+If you write your own model and save it to the the SasView *plugin_models* folder
+
+ *C:\\Users\\{username}\\.sasview\\plugin_models* (on Windows)
+
+the next time SasView is started it will compile the plugin and add
+it to the list of *Plugin Models* in a FitPage.
+
+SasView models can be of three types:
+
+- A pure python model : Example -
+ `broadpeak.py <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/broad_peak.py>`_
+- A python model with embedded C : Example -
+ `sphere.py <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/sphere.py>`_
+- A python wrapper with separate C code : Example -
+ `cylinder.py <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/cylinder.py>`_,
+ `cylinder.c <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/cylinder.c>`_
+
+The built-in modules are available in the *sasmodels-data\\models* subdirectory
+of your SasView installation folder. On Windows, this will be something like
+*C:\\Program Files (x86)\\SasView\\sasmodels-data\\models*. On Mac OSX, these will be within
+the application bundle as
+*/Applications/SasView 4.0.app/Contents/Resources/sasmodels-data/models*.
+
+Other models are available for download from our
+`Model Marketplace <http://marketplace.sasview.org/>`_. You can contribute your own models to the
+Marketplace aswell.
+
+Create New Model Files
+^^^^^^^^^^^^^^^^^^^^^^
+
+In the *~\\.sasview\\plugin_models* directory, copy the appropriate files
+(we recommend using the examples above as templates) to mymodel.py (and mymodel.c, etc)
+as required, where "mymodel" is the name for the model you are creating.
+
+*Please follow these naming rules:*
+
+- No capitalization and thus no CamelCase
+- If necessary use underscore to separate words (i.e. barbell not BarBell or
+ broad_peak not BroadPeak)
+- Do not include "model" in the name (i.e. barbell not BarBellModel)
+
+
+Edit New Model Files
+^^^^^^^^^^^^^^^^^^^^
+
+Model Contents
+..............
+
+The model interface definition is in the .py file. This file contains:
+
+- a **model name**:
+ - this is the **name** string in the *.py* file
+ - titles should be:
+
+ - all in *lower* case
+ - without spaces (use underscores to separate words instead)
+ - without any capitalization or CamelCase
+ - without incorporating the word "model"
+ - examples: *barbell* **not** *BarBell*; *broad_peak* **not** *BroadPeak*;
+ *barbell* **not** *BarBellModel*
+
+- a **model title**:
+ - this is the **title** string in the *.py* file
+ - this is a one or two line description of the model, which will appear
+ at the start of the model documentation and as a tooltip in the SasView GUI
+
+- a **short discription**:
+ - this is the **description** string in the *.py* file
+ - this is a medium length description which appears when you click
+ *Description* on the model FitPage
+
+- a **parameter table**:
+ - this will be auto-generated from the *parameters* in the *.py* file
+
+- a **long description**:
+ - this is ReStructuredText enclosed between the r""" and """ delimiters
+ at the top of the *.py* file
+ - what you write here is abstracted into the SasView help documentation
+ - this is what other users will refer to when they want to know what your model does;
+ so please be helpful!
+
+- a **definition** of the model:
+ - as part of the **long description**
+
+- a **formula** defining the function the model calculates:
+ - as part of the **long description**
+
+- an **explanation of the parameters**:
+ - as part of the **long description**
+ - explaining how the symbols in the formula map to the model parameters
+
+- a **plot** of the function, with a **figure caption**:
+ - this is automatically generated from your default parameters
+
+- at least one **reference**:
+ - as part of the **long description**
+ - specifying where the reader can obtain more information about the model
+
+- the **name of the author**
+ - as part of the **long description**
+ - the *.py* file should also contain a comment identifying *who*
+ converted/created the model file
+
+Models that do not conform to these requirements will *never* be incorporated
+into the built-in library.
+
+More complete documentation for the sasmodels package can be found at
+`<http://www.sasview.org/sasmodels>`_. In particular,
+`<http://www.sasview.org/sasmodels/api/generate.html#module-sasmodels.generate>`_
+describes the structure of a model.
+
+
+Model Documentation
+...................
+
+The *.py* file starts with an r (for raw) and three sets of quotes
+to start the doc string and ends with a second set of three quotes.
+For example::
+
+ r"""
+ Definition
+ ----------
+
+ The 1D scattering intensity of the sphere is calculated in the following
+ way (Guinier, 1955)
+
+ .. math::
+
+ I(q) = \frac{\text{scale}}{V} \cdot \left[
+ 3V(\Delta\rho) \cdot \frac{\sin(qr) - qr\cos(qr))}{(qr)^3}
+ \right]^2 + \text{background}
+
+ where *scale* is a volume fraction, $V$ is the volume of the scatterer,
+ $r$ is the radius of the sphere and *background* is the background level.
+ *sld* and *sld_solvent* are the scattering length densities (SLDs) of the
+ scatterer and the solvent respectively, whose difference is $\Delta\rho$.
+
+ You can included figures in your documentation, as in the following
+ figure for the cylinder model.
+
+ .. figure:: img/cylinder_angle_definition.jpg
+
+ Definition of the angles for oriented cylinders.
+
+ References
+ ----------
+
+ A Guinier, G Fournet, *Small-Angle Scattering of X-Rays*,
+ John Wiley and Sons, New York, (1955)
+ """
+
+This is where the FULL documentation for the model goes (to be picked up by
+the automatic documentation system). Although it feels odd, you
+should start the documentation immediately with the **definition**---the model
+name, a brief description and the parameter table are automatically inserted
+above the definition, and the a plot of the model is automatically inserted
+before the **reference**.
+
+Figures can be included using the *figure* command, with the name
+of the *.png* file containing the figure and a caption to appear below the
+figure. Figure numbers will be added automatically.
+
+See this `Sphinx cheat sheet <http://matplotlib.org/sampledoc/cheatsheet.html>`_
+for a quick guide to the documentation layout commands, or the
+`Sphinx Documentation <http://www.sphinx-doc.org/en/stable/>`_ for
+complete details.
+
+The model should include a **formula** written using LaTeX markup.
+The example above uses the *math* command to make a displayed equation. You
+can also use *\$formula\$* for an inline formula. This is handy for defining
+the relationship between the model parameters and formula variables, such
+as the phrase "\$r\$ is the radius" used above. The live demo MathJax
+page `<http://www.mathjax.org/>`_ is handy for checking that the equations
+will look like you intend.
+
+Math layout uses the `amsmath <http://www.ams.org/publications/authors/tex/amslatex>`_
+package for aligning equations (see amsldoc.pdf on that page for complete documentation).
+You will automatically be in an aligned environment, with blank lines separating
+the lines of the equation. Place an ampersand before the operator on which to
+align. For example::
+
+ .. math::
+
+ x + y &= 1 \\
+ y &= x - 1
+
+produces
+
+.. math::
+
+ x + y &= 1 \\
+ y &= x - 1
+
+If you need more control, use::
+
+ .. math::
+ :nowrap:
+
+
+Model Definition
+................
+
+Following the documentation string, there are a series of definitions::
+
+ name = "sphere" # optional: defaults to the filename without .py
+
+ title = "Spheres with uniform scattering length density"
+
+ description = """\
+ P(q)=(scale/V)*[3V(sld-sld_solvent)*(sin(qr)-qr cos(qr))
+ /(qr)^3]^2 + background
+ r: radius of sphere
+ V: The volume of the scatter
+ sld: the SLD of the sphere
+ sld_solvent: the SLD of the solvent
+ """
+
+ category = "shape:sphere"
+
+ single = True # optional: defaults to True
+
+ opencl = False # optional: defaults to False
+
+ structure_factor = False # optional: defaults to False
+
+**name = "mymodel"** defines the name of the model that is shown to the user.
+If it is not provided, it will use the name of the model file, with '_'
+replaced by spaces and the parts capitalized. So *adsorbed_layer.py* will
+become *Adsorbed Layer*. The predefined models all use the name of the
+model file as the name of the model, so the default may be changed.
+
+**title = "short description"** is short description of the model which
+is included after the model name in the automatically generated documentation.
+The title can also be used for a tooltip.
+
+**description = """doc string"""** is a longer description of the model. It
+shows up when you press the "Description" button of the SasView FitPage.
+It should give a brief description of the equation and the parameters
+without the need to read the entire model documentation. The triple quotes
+allow you to write the description over multiple lines. Keep the lines
+short since the GUI will wrap each one separately if they are too long.
+**Make sure the parameter names in the description match the model definition!**
+
+**category = "shape:sphere"** defines where the model will appear in the
+model documentation. In this example, the model will appear alphabetically
+in the list of spheroid models in the *Shape* category.
+
+**single = True** indicates that the model can be run using single
+precision floating point values. Set it to False if the numerical
+calculation for the model is unstable, which is the case for about 20 of
+the built in models. It is worthwhile modifying the calculation to support
+single precision, allowing models to run up to 10 times faster. The
+section `Test_Your_New_Model`_ describes how to compare model values for
+single vs. double precision so you can decide if you need to set
+single to False.
+
+**opencl = False** indicates that the model should not be run using OpenCL.
+This may be because the model definition includes code that cannot be
+compiled for the GPU (for example, goto statements). It can also be used
+for large models which can't run on most GPUs. This flag has not been
+used on any of the built in models; models which were failing were
+streamlined so this flag was not necessary.
+
+**structure_factor = True** indicates that the model can be used as a
+structure factor to account for interactions between particles. See
+`Form_Factors`_ for more details.
+
+Model Parameters
+................
+
+Next comes the parameter table. For example::
+
+ # pylint: disable=bad-whitespace, line-too-long
+ # ["name", "units", default, [min, max], "type", "description"],
+ parameters = [
+ ["sld", "1e-6/Ang^2", 1, [-inf, inf], "sld", "Layer scattering length density"],
+ ["sld_solvent", "1e-6/Ang^2", 6, [-inf, inf], "sld", "Solvent scattering length density"],
+ ["radius", "Ang", 50, [0, inf], "volume", "Sphere radius"],
+ ]
+ # pylint: enable=bad-whitespace, line-too-long
+
+**parameters = [["name", "units", default, [min,max], "type", "tooltip"],...]**
+defines the parameters that form the model.
+
+**Note: The order of the parameters in the definition will be the order of the
+parameters in the user interface and the order of the parameters in Iq(),
+Iqxy() and form_volume(). And** *scale* **and** *background* **parameters are
+implicit to all models, so they do not need to be included in the parameter table.**
+
+- **"name"** is the name of the parameter shown on the FitPage.
+
+ - parameter names should follow the mathematical convention; e.g.,
+ *radius_core* not *core_radius*, or *sld_solvent* not *solvent_sld*.
+
+ - model parameter names should be consistent between different models,
+ so *sld_solvent*, for example, should have exactly the same name
+ in every model.
+
+ - to see all the parameter names currently in use, type the following in the
+ python shell/editor under the Tools menu::
+
+ import sasmodels.list_pars
+ sasmodels.list_pars.list_pars()
+
+ *re-use* as many as possible!!!
+
+ - use "name[n]" for multiplicity parameters, where *n* is the name of
+ the parameter defining the number of shells/layers/segments, etc.
+
+- **"units"** are displayed along with the parameter name
+
+ - every parameter should have units; use "None" if there are no units.
+
+ - **sld's should be given in units of 1e-6/Ang^2, and not simply
+ 1/Ang^2 to be consistent with the builtin models. Adjust your formulas
+ appropriately.**
+
+ - fancy units markup is available for some units, including::
+
+ Ang, 1/Ang, 1/Ang^2, 1e-6/Ang^2, degrees, 1/cm, Ang/cm, g/cm^3, mg/m^2
+
+ - the list of units is defined in the variable *RST_UNITS* within
+ `sasmodels/generate.py <https://github.com/SasView/sasmodels/tree/master/sasmodels/generate.py>`_
+
+ - new units can be added using the macros defined in *doc/rst_prolog*
+ in the sasmodels source.
+ - units should be properly formatted using sub-/super-scripts
+ and using negative exponents instead of the / operator, though
+ the unit name should use the / operator for consistency.
+ - please post a message to the SasView developers mailing list with your changes.
+
+- **default** is the initial value for the parameter.
+
+ - **the parameter default values are used to auto-generate a plot of
+ the model function in the documentation.**
+
+- **[min, max]** are the lower and upper limits on the parameter.
+
+ - lower and upper limits can be any number, or *-inf* or *inf*.
+
+ - the limits will show up as the default limits for the fit making it easy,
+ for example, to force the radius to always be greater than zero.
+
+ - these are hard limits defining the valid range of parameter values;
+ polydisperity distributions will be truncated at the limits.
+
+- **"type"** can be one of: "", "sld", "volume", or "orientation".
+
+ - "sld" parameters can have magnetic moments when fitting magnetic models;
+ depending on the spin polarization of the beam and the $q$ value being
+ examined, the effective sld for that material will be used to compute the
+ scattered intensity.
+
+ - "volume" parameters are passed to Iq(), Iqxy(), and form_volume(), and
+ have polydispersity loops generated automatically.
+
+ - "orientation" parameters are only passed to Iqxy(), and have angular
+ dispersion.
+
+
+Model Computation
+.................
+
+Models can be defined as pure python models, or they can be a mixture of
+python and C models. C models are run on the GPU if it is available,
+otherwise they are compiled and run on the CPU.
+
+Models are defined by the scattering kernel, which takes a set of parameter
+values defining the shape, orientation and material, and returns the
+expected scattering. Polydispersity and angular dispersion are defined
+by the computational infrastructure. Any parameters defined as "volume"
+parameters are polydisperse, with polydispersity defined in proportion
+to their value. "orientation" parameters use angular dispersion defined
+in degrees, and are not relative to the current angle.
+
+Based on a weighting function $G(x)$ and a number of points $n$, the
+computed value is
+
+.. math::
+
+ \hat I(q)
+ = \frac{\int G(x) I(q, x)\,dx}{\int G(x) V(x)\,dx}
+ \approx \frac{\sum_{i=1}^n G(x_i) I(q,x_i)}{\sum_{i=1}^n G(x_i) V(x_i)}
+
+That is, the indivdual models do not need to include polydispersity
+calculations, but instead rely on numerical integration to compute the
+appropriately smeared pattern. Angular dispersion values over polar angle
+$\theta$ requires an additional $\cos \theta$ weighting due to decreased
+arc length for the equatorial angle $\phi$ with increasing latitude.
+
+Python Models
+.............
+
+For pure python models, define the *Iq* function::
+
+ import numpy as np
+ from numpy import cos, sin, ...
+
+ def Iq(q, par1, par2, ...):
+ return I(q, par1, par2, ...)
+ Iq.vectorized = True
+
+The parameters *par1, par2, ...* are the list of non-orientation parameters
+to the model in the order that they appear in the parameter table.
+**Note that the autogenerated model file uses** *x* **rather than** *q*.
+
+The *.py* file should import trigonometric and exponential functions from
+numpy rather than from math. This lets us evaluate the model for the whole
+range of $q$ values at once rather than looping over each $q$ separately in
+python. With $q$ as a vector, you cannot use if statements, but must instead
+do tricks like
+
+::
+
+ a = x*q*(q>0) + y*q*(q<=0)
+
+or
+
+::
+
+ a = np.empty_like(q)
+ index = q>0
+ a[index] = x*q[index]
+ a[~index] = y*q[~index]
+
+which sets $a$ to $q \cdot x$ if $q$ is positive or $q \cdot y$ if $q$
+is zero or negative. If you have not converted your function to use $q$
+vectors, you can set the following and it will only receive one $q$
+value at a time::
+
+ Iq.vectorized = False
+
+Return np.NaN if the parameters are not valid (e.g., cap_radius < radius in
+barbell). If I(q; pars) is NaN for any $q$, then those parameters will be
+ignored, and not included in the calculation of the weighted polydispersity.
+
+Similar to *Iq*, you can define *Iqxy(qx, qy, par1, par2, ...)* where the
+parameter list includes any orientation parameters. If *Iqxy* is not defined,
+then it will default to *Iqxy = Iq(sqrt(qx**2+qy**2), par1, par2, ...)*.
+
+Models should define *form_volume(par1, par2, ...)* where the parameter
+list includes the *volume* parameters in order. This is used for a weighted
+volume normalization so that scattering is on an absolute scale. If
+*form_volume* is not defined, then the default *form_volume = 1.0* will be
+used.
+
+Embedded C Models
+.................
+
+Like pure python models, inline C models need to define an *Iq* function::
+
+ Iq = """
+ return I(q, par1, par2, ...);
+ """
+
+This expands into the equivalent C code::
+
+ #include <math.h>
+ double Iq(double q, double par1, double par2, ...);
+ double Iq(double q, double par1, double par2, ...)
+ {
+ return I(q, par1, par2, ...);
+ }
+
+*Iqxy* is similar to *Iq*, except it uses parameters *qx, qy* instead of *q*,
+and it includes orientation parameters.
+
+*form_volume* defines the volume of the shape. As in python models, it
+includes only the volume parameters.
+
+*Iqxy* will default to *Iq(sqrt(qx**2 + qy**2), par1, ...)* and
+*form_volume* will default to 1.0.
+
+**source=['fn.c', ...]** includes the listed C source files in the
+program before *Iq* and *Iqxy* are defined. This allows you to extend the
+library of C functions available to your model.
+
+Models are defined using double precision declarations for the
+parameters and return values. When a model is run using single
+precision or long double precision, each variable is converted
+to the target type, depending on the precision requested.
+
+**Floating point constants must include the decimal point.** This allows us
+to convert values such as 1.0 (double precision) to 1.0f (single precision)
+so that expressions that use these values are not promoted to double precision
+expressions. Some graphics card drivers are confused when functions
+that expect floating point values are passed integers, such as 4*atan(1); it
+is safest to not use integers in floating point expressions. Even better,
+use the builtin constant M_PI rather than 4*atan(1); it is faster and smaller!
+
+The C model operates on a single $q$ value at a time. The code will be
+run in parallel across different $q$ values, either on the graphics card
+or the processor.
+
+Rather than returning NAN from Iq, you must define the *INVALID(v)*. The
+*v* parameter lets you access all the parameters in the model using
+*v.par1*, *v.par2*, etc. For example::
+
+ #define INVALID(v) (v.bell_radius < v.radius)
+
+Special Functions
+.................
+
+The C code follows the C99 standard, with the usual math functions,
+as defined in
+`OpenCL <https://www.khronos.org/registry/cl/sdk/1.1/docs/man/xhtml/mathFunctions.html>`_.
+This includes the following:
+
+ M_PI, M_PI_2, M_PI_4, M_SQRT1_2, M_E:
+ $\pi$, $\pi/2$, $\pi/4$, $1/\sqrt{2}$ and Euler's constant $e$
+ exp, log, pow(x,y), expm1, sqrt:
+ Power functions $e^x$, $\ln x$, $x^y$, $e^x - 1$, $\sqrt{x}$.
+ The function expm1(x) is accurate across all $x$, including $x$
+ very close to zero.
+ sin, cos, tan, asin, acos, atan:
+ Trigonometry functions and inverses, operating on radians.
+ sinh, cos, tanh, asinh, acosh, atanh:
+ Hyperbolic trigonometry functions.
+ atan2(y,x):
+ Angle from the $x$\ -axis to the point $(x,y)$, which is equal to
+ $\tan^{-1}(y/x)$ corrected for quadrant. That is, if $x$ and $y$ are
+ both negative, then atan2(y,x) returns a value in quadrant III where
+ atan(y/x) would return a value in quadrant I. Similarly for
+ quadrants II and IV when $x$ and $y$ have opposite sign.
+ fmin(x,y), fmax(x,y), trunc, rint:
+ Floating point functions. rint(x) returns the nearest integer.
+ NAN:
+ NaN, Not a Number, $0/0$. Use isnan(x) to test for NaN. Note that
+ you cannot use :code:`x == NAN` to test for NaN values since that
+ will always return false. NAN does not equal NAN!
+ INFINITY:
+ $\infty, 1/0$. Use isinf(x) to test for infinity, or isfinite(x)
+ to test for finite and not NaN.
+ erf, erfc, tgamma, lgamma: **do not use**
+ Special functions that should be part of the standard, but are missing
+ or inaccurate on some platforms. Use sas_erf, sas_erfc and sas_gamma
+ instead (see below). Note: lgamma(x) has not yet been tested.
+
+Some non-standard constants and functions are also provided:
+
+ M_PI_180, M_4PI_3:
+ $\frac{\pi}{180}$, $\frac{4\pi}{3}$
+ SINCOS(x, s, c):
+ Macro which sets s=sin(x) and c=cos(x). The variables *c* and *s*
+ must be declared first.
+ square(x):
+ $x^2$
+ cube(x):
+ $x^3$
+ sas_sinx_x(x):
+ $\sin(x)/x$, with limit $\sin(0)/0 = 1$.
+ powr(x, y):
+ $x^y$ for $x \ge 0$; this is faster than general $x^y$ on some GPUs.
+ pown(x, n):
+ $x^n$ for $n$ integer; this is faster than general $x^n$ on some GPUs.
+ FLOAT_SIZE:
+ The number of bytes in a floating point value. Even though all
+ variables are declared double, they may be converted to single
+ precision float before running. If your algorithm depends on
+ precision (which is not uncommon for numerical algorithms), use
+ the following::
+
+ #if FLOAT_SIZE>4
+ ... code for double precision ...
+ #else
+ ... code for single precision ...
+ #endif
+ SAS_DOUBLE:
+ A replacement for :code:`double` so that the declared variable will
+ stay double precision; this should generally not be used since some
+ graphics cards do not support double precision. There is no provision
+ for forcing a constant to stay double precision.
+
+The following special functions and scattering calculations are defined in
+`sasmodels/models/lib <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib>`_.
+These functions have been tuned to be fast and numerically stable down
+to $q=0$ even in single precision. In some cases they work around bugs
+which appear on some platforms but not others, so use them where needed.
+Add the files listed in :code:`source = ["lib/file.c", ...]` to your *model.py*
+file in the order given, otherwise these functions will not be available.
+
+ polevl(x, c, n):
+ Polynomial evaluation $p(x) = \sum_{i=0}^n c_i x^i$ using Horner's
+ method so it is faster and more accurate.
+
+ $c = \{c_n, c_{n-1}, \ldots, c_0 \}$ is the table of coefficients,
+ sorted from highest to lowest.
+
+ :code:`source = ["lib/polevl.c", ...]` (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/polevl.c>`_)
+
+ p1evl(x, c, n):
+ Evaluation of normalized polynomial $p(x) = x^n + \sum_{i=0}^{n-1} c_i x^i$
+ using Horner's method so it is faster and more accurate.
+
+ $c = \{c_{n-1}, c_{n-2} \ldots, c_0 \}$ is the table of coefficients,
+ sorted from highest to lowest.
+
+ :code:`source = ["lib/polevl.c", ...]`
+ (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/polevl.c>`_)
+
+ sas_gamma(x):
+ Gamma function $\text{sas_gamma}(x) = \Gamma(x)$.
+
+ The standard math function, tgamma(x) is unstable for $x < 1$
+ on some platforms.
+
+ :code:`source = ["lib/sasgamma.c", ...]`
+ (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_gamma.c>`_)
+
+ sas_erf(x), sas_erfc(x):
+ Error function
+ $\text{sas_erf}(x) = \frac{2}{\sqrt\pi}\int_0^x e^{-t^2}\,dt$
+ and complementary error function
+ $\text{sas_erfc}(x) = \frac{2}{\sqrt\pi}\int_x^{\infty} e^{-t^2}\,dt$.
+
+ The standard math functions erf(x) and erfc(x) are slower and broken
+ on some platforms.
+
+ :code:`source = ["lib/polevl.c", "lib/sas_erf.c", ...]`
+ (`link to error functions' code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_erf.c>`_)
+
+ sas_J0(x):
+ Bessel function of the first kind $\text{sas_J0}(x)=J_0(x)$ where
+ $J_0(x) = \frac{1}{\pi}\int_0^\pi \cos(x\sin(\tau))\,d\tau$.
+
+ The standard math function j0(x) is not available on all platforms.
+
+ :code:`source = ["lib/polevl.c", "lib/sas_J0.c", ...]`
+ (`link to Bessel function's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_J0.c>`_)
+
+ sas_J1(x):
+ Bessel function of the first kind $\text{sas_J1}(x)=J_1(x)$ where
+ $J_1(x) = \frac{1}{\pi}\int_0^\pi \cos(\tau - x\sin(\tau))\,d\tau$.
+
+ The standard math function j1(x) is not available on all platforms.
+
+ :code:`source = ["lib/polevl.c", "lib/sas_J1.c", ...]`
+ (`link to Bessel function's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_J1.c>`_)
+
+ sas_JN(n, x):
+ Bessel function of the first kind and integer order $n$:
+ $\text{sas_JN}(n, x)=J_n(x)$ where
+ $J_n(x) = \frac{1}{\pi}\int_0^\pi \cos(n\tau - x\sin(\tau))\,d\tau$.
+ If $n$ = 0 or 1, it uses sas_J0(x) or sas_J1(x), respectively.
+
+ The standard math function jn(n, x) is not available on all platforms.
+
+ :code:`source = ["lib/polevl.c", "lib/sas_J0.c", "lib/sas_J1.c", "lib/sas_JN.c", ...]`
+ (`link to Bessel function's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_JN.c>`_)
+
+ sas_Si(x):
+ Sine integral $\text{Si}(x) = \int_0^x \tfrac{\sin t}{t}\,dt$.
+
+ This function uses Taylor series for small and large arguments:
+
+ For large arguments,
+
+ .. math::
+
+ \text{Si}(x) \sim \frac{\pi}{2}
+ - \frac{\cos(x)}{x}\left(1 - \frac{2!}{x^2} + \frac{4!}{x^4} - \frac{6!}{x^6} \right)
+ - \frac{\sin(x)}{x}\left(\frac{1}{x} - \frac{3!}{x^3} + \frac{5!}{x^5} - \frac{7!}{x^7}\right)
+
+ For small arguments,
+
+ .. math::
+
+ \text{Si}(x) \sim x
+ - \frac{x^3}{3\times 3!} + \frac{x^5}{5 \times 5!} - \frac{x^7}{7 \times 7!}
+ + \frac{x^9}{9\times 9!} - \frac{x^{11}}{11\times 11!}
+
+ :code:`source = ["lib/Si.c", ...]`
+ (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/Si.c>`_)
+
+ sas_3j1x_x(x):
+ Spherical Bessel form
+ $\text{sph_j1c}(x) = 3 j_1(x)/x = 3 (\sin(x) - x \cos(x))/x^3$,
+ with a limiting value of 1 at $x=0$, where $j_1(x)$ is the spherical
+ Bessel function of the first kind and first order.
+
+ This function uses a Taylor series for small $x$ for numerical accuracy.
+
+ :code:`source = ["lib/sas_3j1x_x.c", ...]`
+ (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_3j1x_x.c>`_)
+
+
+ sas_2J1x_x(x):
+ Bessel form $\text{sas_J1c}(x) = 2 J_1(x)/x$, with a limiting value
+ of 1 at $x=0$, where $J_1(x)$ is the Bessel function of first kind
+ and first order.
+
+ :code:`source = ["lib/polevl.c", "lib/sas_J1.c", ...]`
+ (`link to Bessel form's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_J1.c>`_)
+
+
+ Gauss76Z[i], Gauss76Wt[i]:
+ Points $z_i$ and weights $w_i$ for 76-point Gaussian quadrature, respectively,
+ computing $\int_{-1}^1 f(z)\,dz \approx \sum_{i=1}^{76} w_i\,f(z_i)$.
+
+ Similar arrays are available in :code:`gauss20.c` for 20-point
+ quadrature and in :code:`gauss150.c` for 150-point quadrature.
+
+ :code:`source = ["lib/gauss76.c", ...]`
+ (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/gauss76.c>`_)
+
+
+
+Problems with C models
+......................
+
+The graphics processor (GPU) in your computer is a specialized computer tuned
+for certain kinds of problems. This leads to strange restrictions that you
+need to be aware of. Your code may work fine on some platforms or for some
+models, but then return bad values on other platforms. Some examples of
+particular problems:
+
+ **(1) Code is too complex, or uses too much memory.** GPU devices only have a
+ limited amount of memory available for each processor. If you run programs
+ which take too much memory, then rather than running multiple values in parallel
+ as it usually does, the GPU may only run a single version of the code at a
+ time, making it slower than running on the CPU. It may fail to run on
+ some platforms, or worse, cause the screen to go blank or the system to reboot.
+
+ **(2) Code takes too long.** Because GPU devices are used for the computer
+ display, the OpenCL drivers are very careful about the amount of time they
+ will allow any code to run. For example, on OS X, the model will stop running
+ after 5 seconds regardless of whether the computation is complete. You may end up
+ with only some of your 2D array defined, with the rest containing random
+ data. Or it may cause the screen to go blank or the system to reboot.
+
+ **(3) Memory is not aligned**. The GPU hardware is specialized to operate on
+ multiple values simultaneously. To keep the GPU simple the values in memory
+ must be aligned with the different GPU compute engines. Not following these
+ rules can lead to unexpected values being loaded into memory, and wrong answers
+ computed. The conclusion from a very long and strange debugging session was
+ that any arrays that you declare in your model should be a multiple of four.
+ For example::
+
+ double Iq(q, p1, p2, ...)
+ {
+ double vector[8]; // Only going to use seven slots, but declare 8
+ ...
+ }
+
+The first step when your model is behaving strangely is to set **single=False**.
+This automatically restricts the model to only run on the CPU, or on high-end
+GPU cards. There can still be problems even on high-end cards, so you can force
+the model off the GPU by setting **opencl=False**. This runs the model
+as a normal C program without any GPU restrictions so you know that
+strange results are probably from your code rather than the environment. Once
+the code is debugged, you can compare your output to the output on the GPU.
+
+Although it can be difficult to get your model to work on the GPU, the reward
+can be a model that runs 1000x faster on a good card. Even your laptop may
+show a 50x improvement or more over the equivalent pure python model.
+
+External C Models
+.................
+
+External C models are very much like embedded C models, except that
+*Iq*, *Iqxy* and *form_volume* are defined in an external source file
+loaded using the *source=[...]* statement. You need to supply the function
+declarations for each of these that you need instead of building them
+automatically from the parameter table.
+
+
+.. _Form_Factors:
+
+Form Factors
+............
+
+Away from the dilute limit you can estimate scattering including
+particle-particle interactions using $I(q) = P(q)*S(q)$ where $P(q)$
+is the form factor and $S(q)$ is the structure factor. The simplest
+structure factor is the *hardsphere* interaction, which
+uses the effective radius of the form factor as an input to the structure
+factor model. The effective radius is the average radius of the
+form averaged over all the polydispersity values.
+
+::
+
+ def ER(radius, thickness):
+ """Effective radius of a core-shell sphere."""
+ return radius + thickness
+
+Now consider the *core_shell_sphere*, which has a simple effective radius
+equal to the radius of the core plus the thickness of the shell, as
+shown above. Given polydispersity over *(r1, r2, ..., rm)* in radius and
+*(t1, t2, ..., tn)* in thickness, *ER* is called with a mesh
+grid covering all possible combinations of radius and thickness.
+That is, *radius* is *(r1, r2, ..., rm, r1, r2, ..., rm, ...)*
+and *thickness* is *(t1, t1, ... t1, t2, t2, ..., t2, ...)*.
+The *ER* function returns one effective radius for each combination.
+The effective radius calculator weights each of these according to
+the polydispersity distributions and calls the structure factor
+with the average *ER*.
+
+::
+
+ def VR(radius, thickness):
+ """Sphere and shell volumes for a core-shell sphere."""
+ whole = 4.0/3.0 * pi * (radius + thickness)**3
+ core = 4.0/3.0 * pi * radius**3
+ return whole, whole - core
+
+Core-shell type models have an additional volume ratio which scales
+the structure factor. The *VR* function returns the volume of
+the whole sphere and the volume of the shell. Like *ER*, there is
+one return value for each point in the mesh grid.
+
+*NOTE: we may be removing or modifying this feature soon. As of the
+time of writing, core-shell sphere returns (1., 1.) for VR, giving a volume
+ratio of 1.0.*
+
+Unit Tests
+..........
+
+THESE ARE VERY IMPORTANT. Include at least one test for each model and
+PLEASE make sure that the answer value is correct (i.e. not a random number).
+
+::
+
+ tests = [
+ [{}, 0.2, 0.726362],
+ [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1.,
+ "radius": 120., "radius_pd": 0.2, "radius_pd_n":45},
+ 0.2, 0.228843],
+ [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, "ER", 120.],
+ [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, "VR", 1.],
+ ]
+
+
+**tests=[[{parameters}, q, result], ...]** is a list of lists.
+Each list is one test and contains, in order:
+
+- a dictionary of parameter values. This can be {} using the default
+ parameters, or filled with some parameters that will be different
+ from the default, such as {‘radius’:10.0, ‘sld’:4}. Unlisted parameters
+ will be given the default values.
+- the input $q$ value or tuple of $(q_x, q_y)$ values.
+- the output $I(q)$ or $I(q_x,q_y)$ expected of the model for the parameters
+ and input value given.
+- input and output values can themselves be lists if you have several
+ $q$ values to test for the same model parameters.
+- for testing *ER* and *VR*, give the inputs as "ER" and "VR" respectively;
+ the output for *VR* should be the sphere/shell ratio, not the individual
+ sphere and shell values.
+
+.. _Test_Your_New_Model:
+
+Test Your New Model
+^^^^^^^^^^^^^^^^^^^
+
+Minimal Testing
+...............
+
+Either open the :ref:`Python_shell` (*Tools* > *Python Shell/Editor*) or the :ref:`Advanced_Plugin_Editor` (*Fitting* > *Plugin Model Operations* > *Advanced
+Plugin Editor*), load your model, and then select *Run > Check Model* from the
+menu bar.
+
+An *Info* box will appear with the results of the compilation and a check that
+the model runs.
+
+Recommended Testing
+...................
+
+If the model compiles and runs, you can next run the unit tests that
+you have added using the **test =** values. Switch to the *Shell* tab
+and type the following::
+
+ from sasmodels.model_test import run_one
+ run_one("~/.sasview/plugin_models/model.py")
+
+This should print::
+
+ test_model_python (sasmodels.model_test.ModelTestCase) ... ok
+
+To check whether single precision is good enough, type the following::
+
+ from sasmodels.compare import main
+ main("~/.sasview/plugin_models/model.py")
+
+This will pop up a plot showing the difference between single precision
+and double precision on a range of $q$ values.
+
+::
+
+ demo = dict(scale=1, background=0,
+ sld=6, sld_solvent=1,
+ radius=120,
+ radius_pd=.2, radius_pd_n=45)
+
+**demo={'par': value, ...}** in the model file sets the default values for
+the comparison. You can include polydispersity parameters such as
+*radius_pd=0.2, radius_pd_n=45* which would otherwise be zero.
+
+The options to compare are quite extensive; type the following for help::
+
+ main()
+
+Options will need to be passed as separate strings.
+For example to run your model with a random set of parameters::
+
+ main("-random", "-pars", "~/.sasview/plugin_models/model.py")
+
+For the random models,
+
+- *sld* will be in the range (-0.5,10.5),
+- angles (*theta, phi, psi*) will be in the range (-180,180),
+- angular dispersion will be in the range (0,45),
+- polydispersity will be in the range (0,1)
+- other values will be in the range (0, 2\ *v*), where *v* is the value of the parameter in demo.
+
+Dispersion parameters *n*\, *sigma* and *type* will be unchanged from demo so that
+run times are predictable.
+
+If your model has 2D orientational calculation, then you should also
+test with::
+
+ main("-2d", "~/.sasview/plugin_models/model.py")
+
+
+Clean Lint - (Developer Version Only)
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+**NB: For now we are not providing pylint with the installer version of SasView;
+so unless you have a SasView build environment available, you can ignore this section!**
+
+Run the lint check with::
+
+ python -m pylint --rcfile=extra/pylint.rc ~/.sasview/plugin_models/model.py
+
+We are not aiming for zero lint just yet, only keeping it to a minimum.
+For now, don't worry too much about *invalid-name*. If you really want a
+variable name *Rg* for example because $R_g$ is the right name for the model
+parameter then ignore the lint errors. Also, ignore *missing-docstring*
+for standard model functions *Iq*, *Iqxy*, etc.
+
+We will have delinting sessions at the SasView Code Camps, where we can
+decide on standards for model files, parameter names, etc.
+
+For now, you can tell pylint to ignore things. For example, to align your
+parameters in blocks::
+
+ # pylint: disable=bad-whitespace,line-too-long
+ # ["name", "units", default, [lower, upper], "type", "description"],
+ parameters = [
+ ["contrast_factor", "barns", 10.0, [-inf, inf], "", "Contrast factor of the polymer"],
+ ["bjerrum_length", "Ang", 7.1, [0, inf], "", "Bjerrum length"],
+ ["virial_param", "1/Ang^2", 12.0, [-inf, inf], "", "Virial parameter"],
+ ["monomer_length", "Ang", 10.0, [0, inf], "", "Monomer length"],
+ ["salt_concentration", "mol/L", 0.0, [-inf, inf], "", "Concentration of monovalent salt"],
+ ["ionization_degree", "", 0.05, [0, inf], "", "Degree of ionization"],
+ ["polymer_concentration", "mol/L", 0.7, [0, inf], "", "Polymer molar concentration"],
+ ]
+ # pylint: enable=bad-whitespace,line-too-long
+
+Don't put in too many pylint statements, though, since they make the code ugly.
+
+Check The Docs - (Developer Version Only)
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+You can get a rough idea of how the documentation will look using the
+following::
+
+ from sasmodels.generate import view_html
+ view_html('~/.sasview/plugin_models/model.py')
+
+This does not use the same styling as the SasView docs, but it will allow
+you to check that your ReStructuredText and LaTeX formatting. Here are
+some tools to help with the inevitable syntax errors:
+
+- `Sphinx cheat sheet <http://matplotlib.org/sampledoc/cheatsheet.html>`_
+- `Sphinx Documentation <http://www.sphinx-doc.org/en/stable/>`_
+- `MathJax <http://www.mathjax.org/>`_
+- `amsmath <http://www.ams.org/publications/authors/tex/amslatex>`_
+
+There is also a neat online WYSIWYG ReStructuredText editor at http://rst.ninjs.org\ .
+
+Share Your Model!
+^^^^^^^^^^^^^^^^^
+
+Once compare and the unit test(s) pass properly and everything is done,
+consider adding your model to the
+`Model Marketplace <http://marketplace.sasview.org/>`_ so that others may use it!
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 25Oct2016
diff --git a/src/sas/sasgui/perspectives/fitting/media/residuals_help.rst b/src/sas/sasgui/perspectives/fitting/media/residuals_help.rst
new file mode 100644
index 0000000..d877130
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/residuals_help.rst
@@ -0,0 +1,64 @@
+.. residuals_help.rst
+
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. _Assessing_Fit_Quality:
+
+Assessing Fit Quality
+---------------------
+
+When performing model-fits to some experimental data it is helpful to be able to
+gauge how good an individual fit is, how it compares to a fit of the *same model*
+*to another set of data*, or how it compares to a fit of a *different model to the*
+*same data*.
+
+One way is obviously to just inspect the graph of the experimental data and to
+see how closely (or not!) the 'theory' calculation matches it. But *SasView*
+also provides two other measures of the quality of a fit:
+
+* |chi|\ :sup:`2` (or 'Chi2'; pronounced 'chi-squared')
+* *Residuals*
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Chi2
+^^^^
+
+Chi2 is a statistical parameter that quantifies the differences between an observed
+data set and an expected dataset (or 'theory').
+
+*SasView* actually returns this parameter normalized to the number of data points,
+*Npts* such that
+
+ *Chi2/Npts* = { SUM[(*Y_i* - *Y_theory_i*)^2 / (*Y_error_i*)^2] } / *Npts*
+
+This differs slightly from what is sometimes called the 'reduced chi-squared'
+because it does not take into account the number of fitting parameters (to
+calculate the number of 'degrees of freedom'), but the 'normalized chi-squared'
+and the 'reduced chi-squared' are very close to each other when *Npts* >> number of
+parameters.
+
+For a good fit, *Chi2/Npts* tends to 0.
+
+*Chi2/Npts* is sometimes referred to as the 'goodness-of-fit' parameter.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Residuals
+^^^^^^^^^
+
+A residual is the difference between an observed value and an estimate of that
+value, such as a 'theory' calculation (whereas the difference between an observed
+value and its *true* value is its error).
+
+*SasView* calculates 'normalized residuals', *R_i*, for each data point in the
+fit:
+
+ *R_i* = (*Y_i* - *Y_theory_i*) / (*Y_err_i*)
+
+For a good fit, *R_i* ~ 0.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 08Jun2015
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diff --git a/src/sas/sasgui/perspectives/fitting/media/sm_help.rst b/src/sas/sasgui/perspectives/fitting/media/sm_help.rst
new file mode 100644
index 0000000..cfcc1ef
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/media/sm_help.rst
@@ -0,0 +1,235 @@
+.. sm_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+.. |inlineimage004| image:: sm_image004.gif
+.. |inlineimage005| image:: sm_image005.gif
+.. |inlineimage008| image:: sm_image008.gif
+.. |inlineimage009| image:: sm_image009.gif
+.. |inlineimage010| image:: sm_image010.gif
+.. |inlineimage011| image:: sm_image011.gif
+.. |inlineimage012| image:: sm_image012.gif
+.. |inlineimage018| image:: sm_image018.gif
+.. |inlineimage019| image:: sm_image019.gif
+
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Smearing Functions
+==================
+
+Sometimes the instrumental geometry used to acquire the experimental data has
+an impact on the clarity of features in the reduced scattering curve. For
+example, peaks or fringes might be slightly broadened. This is known as
+*Q resolution smearing*. To compensate for this effect one can either try and
+remove the resolution contribution - a process called *desmearing* - or add the
+resolution contribution into a model calculation/simulation (which by definition
+will be exact) to make it more representative of what has been measured
+experimentally - a process called *smearing*. SasView will do the latter.
+
+Both smearing and desmearing rely on functions to describe the resolution
+effect. SasView provides three smearing algorithms:
+
+* *Slit Smearing*
+* *Pinhole Smearing*
+* *2D Smearing*
+
+SasView also has an option to use Q resolution data (estimated at the time of
+data reduction) supplied in a reduced data file: the *Use dQ data* radio button.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+dQ Smearing
+-----------
+
+If this option is checked, SasView will assume that the supplied dQ values
+represent the standard deviations of Gaussian functions.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Slit Smearing
+-------------
+
+**This type of smearing is normally only encountered with data from X-ray Kratky**
+**cameras or X-ray/neutron Bonse-Hart USAXS/USANS instruments.**
+
+The slit-smeared scattering intensity is defined by
+
+.. image:: sm_image002.gif
+
+where *Norm* is given by
+
+.. image:: sm_image003.gif
+
+**[Equation 1]**
+
+The functions |inlineimage004| and |inlineimage005|
+refer to the slit width weighting function and the slit height weighting
+determined at the given *q* point, respectively. It is assumed that the weighting
+function is described by a rectangular function, such that
+
+.. image:: sm_image006.gif
+
+**[Equation 2]**
+
+and
+
+.. image:: sm_image007.gif
+
+**[Equation 3]**
+
+so that |inlineimage008| |inlineimage009| for |inlineimage010| and *u*\ .
+
+Here |inlineimage011| and |inlineimage012| stand for
+the slit height (FWHM/2) and the slit width (FWHM/2) in *q* space.
+
+This simplifies the integral in Equation 1 to
+
+.. image:: sm_image013.gif
+
+**[Equation 4]**
+
+which may be solved numerically, depending on the nature of |inlineimage011| and |inlineimage012| .
+
+Solution 1
+^^^^^^^^^^
+
+**For** |inlineimage012| **= 0 and** |inlineimage011| **= constant.**
+
+.. image:: sm_image016.gif
+
+For discrete *q* values, at the *q* values of the data points and at the *q*
+values extended up to *q*\ :sub:`N`\ = *q*\ :sub:`i` + |inlineimage011| the smeared
+intensity can be approximately calculated as
+
+.. image:: sm_image017.gif
+
+**[Equation 5]**
+
+where |inlineimage018| = 0 for *I*\ :sub:`s` when *j* < *i* or *j* > *N-1*.
+
+Solution 2
+^^^^^^^^^^
+
+**For** |inlineimage012| **= constant and** |inlineimage011| **= 0.**
+
+Similar to Case 1
+
+|inlineimage019| for *q*\ :sub:`p` = *q*\ :sub:`i` - |inlineimage012| and *q*\ :sub:`N` = *q*\ :sub:`i` + |inlineimage012|
+
+**[Equation 6]**
+
+where |inlineimage018| = 0 for *I*\ :sub:`s` when *j* < *p* or *j* > *N-1*.
+
+Solution 3
+^^^^^^^^^^
+
+**For** |inlineimage011| **= constant and** |inlineimage011| **= constant.**
+
+In this case, the best way is to perform the integration of Equation 1
+numerically for both slit height and slit width. However, the numerical
+integration is imperfect unless a large number of iterations, say, at
+least 10000 by 10000 for each element of the matrix *W*, is performed.
+This is usually too slow for routine use.
+
+An alternative approach is used in SasView which assumes
+slit width << slit height. This method combines Solution 1 with the
+numerical integration for the slit width. Then
+
+.. image:: sm_image020.gif
+
+**[Equation 7]**
+
+for *q*\ :sub:`p` = *q*\ :sub:`i` - |inlineimage012| and *q*\ :sub:`N` = *q*\ :sub:`i` + |inlineimage012|
+
+where |inlineimage018| = 0 for *I*\ :sub:`s` when *j* < *p* or *j* > *N-1*.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Pinhole Smearing
+----------------
+
+**This is the type of smearing normally encountered with data from synchrotron**
+**SAXS cameras and SANS instruments.**
+
+The pinhole smearing computation is performed in a similar fashion to the slit-
+smeared case above except that the weight function used is a Gaussian. Thus
+Equation 6 becomes
+
+.. image:: sm_image021.gif
+
+**[Equation 8]**
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+2D Smearing
+-----------
+
+The 2D smearing computation is performed in a similar fashion to the 1D pinhole
+smearing above except that the weight function used is a 2D elliptical Gaussian.
+Thus
+
+.. image:: sm_image022.gif
+
+**[Equation 9]**
+
+In Equation 9, *x*\ :sub:`0` = *q* cos(|theta|), *y*\ :sub:`0` = *q* sin(|theta|), and
+the primed axes, are all in the coordinate rotated by an angle |theta| about
+the z-axis (see the figure below) so that *x'*\ :sub:`0` = *x*\ :sub:`0` cos(|theta|) +
+*y*\ :sub:`0` sin(|theta|) and *y'*\ :sub:`0` = -*x*\ :sub:`0` sin(|theta|) +
+*y*\ :sub:`0` cos(|theta|). Note that the rotation angle is zero for a x-y symmetric
+elliptical Gaussian distribution. The *A* is a normalization factor.
+
+.. image:: sm_image023.gif
+
+Now we consider a numerical integration where each of the bins in |theta| and *R* are
+*evenly* (this is to simplify the equation below) distributed by |bigdelta|\ |theta|
+and |bigdelta|\ R, respectively, and it is further assumed that *I(x',y')* is constant
+within the bins. Then
+
+.. image:: sm_image024.gif
+
+**[Equation 10]**
+
+Since the weighting factor on each of the bins is known, it is convenient to
+transform *x'-y'* back to *x-y* coordinates (by rotating it by -|theta| around the
+*z* axis).
+
+Then, for a polar symmetric smear
+
+.. image:: sm_image025.gif
+
+**[Equation 11]**
+
+where
+
+.. image:: sm_image026.gif
+
+while for a *x-y* symmetric smear
+
+.. image:: sm_image027.gif
+
+**[Equation 12]**
+
+where
+
+.. image:: sm_image028.gif
+
+The current version of the SasView uses Equation 11 for 2D smearing, assuming
+that all the Gaussian weighting functions are aligned in the polar coordinate.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Weighting & Normalization
+-------------------------
+
+In all the cases above, the weighting matrix *W* is calculated on the first call
+to a smearing function, and includes ~60 *q* values (finely and evenly binned)
+below (>0) and above the *q* range of data in order to smear all data points for
+a given model and slit/pinhole size. The *Norm* factor is found numerically with the
+weighting matrix and applied on the computation of *I*\ :sub:`s`.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
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diff --git a/src/sas/sasgui/perspectives/fitting/model_thread.py b/src/sas/sasgui/perspectives/fitting/model_thread.py
new file mode 100644
index 0000000..001b3c0
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/model_thread.py
@@ -0,0 +1,282 @@
+"""
+ Calculation thread for modeling
+"""
+
+import time
+import numpy
+import math
+from sas.sascalc.data_util.calcthread import CalcThread
+from sas.sascalc.fit.MultiplicationModel import MultiplicationModel
+
+class Calc2D(CalcThread):
+ """
+ Compute 2D model
+ This calculation assumes a 2-fold symmetry of the model
+ where points are computed for one half of the detector
+ and I(qx, qy) = I(-qx, -qy) is assumed.
+ """
+ def __init__(self, data, model, smearer, qmin, qmax, page_id,
+ state=None,
+ weight=None,
+ fid=None,
+ toggle_mode_on=False,
+ completefn=None,
+ updatefn=None,
+ update_chisqr=True,
+ source='model',
+ yieldtime=0.04,
+ worktime=0.04,
+ exception_handler=None,
+ ):
+ CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime,
+ exception_handler=exception_handler)
+ self.qmin = qmin
+ self.qmax = qmax
+ self.weight = weight
+ self.fid = fid
+ #self.qstep = qstep
+ self.toggle_mode_on = toggle_mode_on
+ self.data = data
+ self.page_id = page_id
+ self.state = None
+ # the model on to calculate
+ self.model = model
+ self.smearer = smearer
+ self.starttime = 0
+ self.update_chisqr = update_chisqr
+ self.source = source
+
+ def compute(self):
+ """
+ Compute the data given a model function
+ """
+ self.starttime = time.time()
+ # Determine appropriate q range
+ if self.qmin == None:
+ self.qmin = 0
+ if self.qmax == None:
+ if self.data != None:
+ newx = math.pow(max(math.fabs(self.data.xmax),
+ math.fabs(self.data.xmin)), 2)
+ newy = math.pow(max(math.fabs(self.data.ymax),
+ math.fabs(self.data.ymin)), 2)
+ self.qmax = math.sqrt(newx + newy)
+
+ if self.data is None:
+ msg = "Compute Calc2D receive data = %s.\n" % str(self.data)
+ raise ValueError, msg
+
+ # Define matrix where data will be plotted
+ radius = numpy.sqrt((self.data.qx_data * self.data.qx_data) + \
+ (self.data.qy_data * self.data.qy_data))
+
+ # For theory, qmax is based on 1d qmax
+ # so that must be mulitified by sqrt(2) to get actual max for 2d
+ index_model = (self.qmin <= radius) & (radius <= self.qmax)
+ index_model = index_model & self.data.mask
+ index_model = index_model & numpy.isfinite(self.data.data)
+
+ if self.smearer is not None:
+ # Set smearer w/ data, model and index.
+ fn = self.smearer
+ fn.set_model(self.model)
+ fn.set_index(index_model)
+ # Calculate smeared Intensity
+ #(by Gaussian averaging): DataLoader/smearing2d/Smearer2D()
+ value = fn.get_value()
+ else:
+ # calculation w/o smearing
+ value = self.model.evalDistribution([
+ self.data.qx_data[index_model],
+ self.data.qy_data[index_model]
+ ])
+ output = numpy.zeros(len(self.data.qx_data))
+ # output default is None
+ # This method is to distinguish between masked
+ #point(nan) and data point = 0.
+ output = output / output
+ # set value for self.mask==True, else still None to Plottools
+ output[index_model] = value
+ elapsed = time.time() - self.starttime
+ self.complete(image=output,
+ data=self.data,
+ page_id=self.page_id,
+ model=self.model,
+ state=self.state,
+ toggle_mode_on=self.toggle_mode_on,
+ elapsed=elapsed,
+ index=index_model,
+ fid=self.fid,
+ qmin=self.qmin,
+ qmax=self.qmax,
+ weight=self.weight,
+ #qstep=self.qstep,
+ update_chisqr=self.update_chisqr,
+ source=self.source)
+
+
+class Calc1D(CalcThread):
+ """
+ Compute 1D data
+ """
+ def __init__(self, model,
+ page_id,
+ data,
+ fid=None,
+ qmin=None,
+ qmax=None,
+ weight=None,
+ smearer=None,
+ toggle_mode_on=False,
+ state=None,
+ completefn=None,
+ update_chisqr=True,
+ source='model',
+ updatefn=None,
+ yieldtime=0.01,
+ worktime=0.01,
+ exception_handler=None,
+ ):
+ """
+ """
+ CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime,
+ exception_handler=exception_handler)
+ self.fid = fid
+ self.data = data
+ self.qmin = qmin
+ self.qmax = qmax
+ self.model = model
+ self.weight = weight
+ self.toggle_mode_on = toggle_mode_on
+ self.state = state
+ self.page_id = page_id
+ self.smearer = smearer
+ self.starttime = 0
+ self.update_chisqr = update_chisqr
+ self.source = source
+ self.out = None
+ self.index = None
+
+ def compute(self):
+ """
+ Compute model 1d value given qmin , qmax , x value
+ """
+ self.starttime = time.time()
+ output = numpy.zeros((len(self.data.x)))
+ index = (self.qmin <= self.data.x) & (self.data.x <= self.qmax)
+
+ # If we use a smearer, also return the unsmeared model
+ unsmeared_output = None
+ unsmeared_data = None
+ unsmeared_error = None
+ ##smearer the ouput of the plot
+ if self.smearer is not None:
+ first_bin, last_bin = self.smearer.get_bin_range(self.qmin,
+ self.qmax)
+ mask = self.data.x[first_bin:last_bin+1]
+ unsmeared_output = numpy.zeros((len(self.data.x)))
+ unsmeared_output[first_bin:last_bin+1] = self.model.evalDistribution(mask)
+ self.smearer.model = self.model
+ output = self.smearer(unsmeared_output, first_bin, last_bin)
+
+ # Rescale data to unsmeared model
+ # Check that the arrays are compatible. If we only have a model but no data,
+ # the length of data.y will be zero.
+ if isinstance(self.data.y, numpy.ndarray) and output.shape == self.data.y.shape:
+ unsmeared_data = numpy.zeros((len(self.data.x)))
+ unsmeared_error = numpy.zeros((len(self.data.x)))
+ unsmeared_data[first_bin:last_bin+1] = self.data.y[first_bin:last_bin+1]\
+ * unsmeared_output[first_bin:last_bin+1]\
+ / output[first_bin:last_bin+1]
+ unsmeared_error[first_bin:last_bin+1] = self.data.dy[first_bin:last_bin+1]\
+ * unsmeared_output[first_bin:last_bin+1]\
+ / output[first_bin:last_bin+1]
+ unsmeared_output=unsmeared_output[index]
+ unsmeared_data=unsmeared_data[index]
+ unsmeared_error=unsmeared_error
+ else:
+ output[index] = self.model.evalDistribution(self.data.x[index])
+
+ sq_values = None
+ pq_values = None
+ s_model = None
+ p_model = None
+ if isinstance(self.model, MultiplicationModel):
+ s_model = self.model.s_model
+ p_model = self.model.p_model
+ elif hasattr(self.model, "get_composition_models"):
+ p_model, s_model = self.model.get_composition_models()
+
+ if p_model is not None and s_model is not None:
+ sq_values = numpy.zeros((len(self.data.x)))
+ pq_values = numpy.zeros((len(self.data.x)))
+ sq_values[index] = s_model.evalDistribution(self.data.x[index])
+ pq_values[index] = p_model.evalDistribution(self.data.x[index])
+
+ elapsed = time.time() - self.starttime
+
+ self.complete(x=self.data.x[index], y=output[index],
+ page_id=self.page_id,
+ state=self.state,
+ weight=self.weight,
+ fid=self.fid,
+ toggle_mode_on=self.toggle_mode_on,
+ elapsed=elapsed, index=index, model=self.model,
+ data=self.data,
+ update_chisqr=self.update_chisqr,
+ source=self.source,
+ unsmeared_model=unsmeared_output,
+ unsmeared_data=unsmeared_data,
+ unsmeared_error=unsmeared_error,
+ pq_model=pq_values,
+ sq_model=sq_values)
+
+ def results(self):
+ """
+ Send resuts of the computation
+ """
+ return [self.out, self.index]
+
+"""
+Example: ::
+
+ class CalcCommandline:
+ def __init__(self, n=20000):
+ #print thread.get_ident()
+ from sas.models.CylinderModel import CylinderModel
+
+ model = CylinderModel()
+
+
+ print model.runXY([0.01, 0.02])
+
+ qmax = 0.01
+ qstep = 0.0001
+ self.done = False
+
+ x = numpy.arange(-qmax, qmax+qstep*0.01, qstep)
+ y = numpy.arange(-qmax, qmax+qstep*0.01, qstep)
+
+
+ calc_thread_2D = Calc2D(x, y, None, model.clone(),None,
+ -qmax, qmax,qstep,
+ completefn=self.complete,
+ updatefn=self.update ,
+ yieldtime=0.0)
+
+ calc_thread_2D.queue()
+ calc_thread_2D.ready(2.5)
+
+ while not self.done:
+ time.sleep(1)
+
+ def update(self,output):
+ print "update"
+
+ def complete(self, image, data, model, elapsed, qmin, qmax,index, qstep ):
+ print "complete"
+ self.done = True
+
+ if __name__ == "__main__":
+ CalcCommandline()
+"""
diff --git a/src/sas/sasgui/perspectives/fitting/models.py b/src/sas/sasgui/perspectives/fitting/models.py
new file mode 100644
index 0000000..9111026
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/models.py
@@ -0,0 +1,455 @@
+"""
+ Utilities to manage models
+"""
+import traceback
+import os
+import sys
+import os.path
+# Time is needed by the log method
+import time
+import datetime
+import logging
+import py_compile
+import shutil
+# Explicitly import from the pluginmodel module so that py2exe
+# places it in the distribution. The Model1DPlugin class is used
+# as the base class of plug-in models.
+from sas.sascalc.fit.pluginmodel import Model1DPlugin
+from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller
+from sasmodels.sasview_model import load_custom_model, load_standard_models
+from sas.sasgui.perspectives.fitting.fitpage import CUSTOM_MODEL
+
+
+PLUGIN_DIR = 'plugin_models'
+PLUGIN_LOG = os.path.join(os.path.expanduser("~"), '.sasview', PLUGIN_DIR,
+ "plugins.log")
+PLUGIN_NAME_BASE = '[plug-in] '
+
+def get_model_python_path():
+ """
+ Returns the python path for a model
+ """
+ return os.path.dirname(__file__)
+
+
+def plugin_log(message):
+ """
+ Log a message in a file located in the user's home directory
+ """
+ out = open(PLUGIN_LOG, 'a')
+ now = time.time()
+ stamp = datetime.datetime.fromtimestamp(now).strftime('%Y-%m-%d %H:%M:%S')
+ out.write("%s: %s\n" % (stamp, message))
+ out.close()
+
+
+def _check_plugin(model, name):
+ """
+ Do some checking before model adding plugins in the list
+
+ :param model: class model to add into the plugin list
+ :param name:name of the module plugin
+
+ :return model: model if valid model or None if not valid
+
+ """
+ #Check if the plugin is of type Model1DPlugin
+ if not issubclass(model, Model1DPlugin):
+ msg = "Plugin %s must be of type Model1DPlugin \n" % str(name)
+ plugin_log(msg)
+ return None
+ if model.__name__ != "Model":
+ msg = "Plugin %s class name must be Model \n" % str(name)
+ plugin_log(msg)
+ return None
+ try:
+ new_instance = model()
+ except:
+ msg = "Plugin %s error in __init__ \n\t: %s %s\n" % (str(name),
+ str(sys.exc_type),
+ sys.exc_info()[1])
+ plugin_log(msg)
+ return None
+
+ if hasattr(new_instance, "function"):
+ try:
+ value = new_instance.function()
+ except:
+ msg = "Plugin %s: error writing function \n\t :%s %s\n " % \
+ (str(name), str(sys.exc_type), sys.exc_info()[1])
+ plugin_log(msg)
+ return None
+ else:
+ msg = "Plugin %s needs a method called function \n" % str(name)
+ plugin_log(msg)
+ return None
+ return model
+
+
+def find_plugins_dir():
+ """
+ Find path of the plugins directory.
+ The plugin directory is located in the user's home directory.
+ """
+ dir = os.path.join(os.path.expanduser("~"), '.sasview', PLUGIN_DIR)
+
+ # If the plugin directory doesn't exist, create it
+ if not os.path.isdir(dir):
+ os.makedirs(dir)
+
+ # Find paths needed
+ try:
+ # For source
+ if os.path.isdir(os.path.dirname(__file__)):
+ p_dir = os.path.join(os.path.dirname(__file__), PLUGIN_DIR)
+ else:
+ raise
+ except:
+ # Check for data path next to exe/zip file.
+ #Look for maximum n_dir up of the current dir to find plugins dir
+ n_dir = 12
+ p_dir = None
+ f_dir = os.path.join(os.path.dirname(__file__))
+ for i in range(n_dir):
+ if i > 1:
+ f_dir, _ = os.path.split(f_dir)
+ plugin_path = os.path.join(f_dir, PLUGIN_DIR)
+ if os.path.isdir(plugin_path):
+ p_dir = plugin_path
+ break
+ if not p_dir:
+ raise
+ # Place example user models as needed
+ if os.path.isdir(p_dir):
+ for file in os.listdir(p_dir):
+ file_path = os.path.join(p_dir, file)
+ if os.path.isfile(file_path):
+ if file.split(".")[-1] == 'py' and\
+ file.split(".")[0] != '__init__':
+ if not os.path.isfile(os.path.join(dir, file)):
+ shutil.copy(file_path, dir)
+
+ return dir
+
+
+class ReportProblem:
+ """
+ Class to check for problems with specific values
+ """
+ def __nonzero__(self):
+ type, value, tb = sys.exc_info()
+ if type is not None and issubclass(type, py_compile.PyCompileError):
+ print "Problem with", repr(value)
+ raise type, value, tb
+ return 1
+
+report_problem = ReportProblem()
+
+
+def compile_file(dir):
+ """
+ Compile a py file
+ """
+ try:
+ import compileall
+ compileall.compile_dir(dir=dir, ddir=dir, force=1,
+ quiet=report_problem)
+ except:
+ return sys.exc_info()[1]
+ return None
+
+
+def _findModels(dir):
+ """
+ Find custom models
+ """
+ # List of plugin objects
+ dir = find_plugins_dir()
+ # Go through files in plug-in directory
+ if not os.path.isdir(dir):
+ msg = "SasView couldn't locate Model plugin folder %r." % dir
+ logging.warning(msg)
+ return {}
+
+ plugin_log("looking for models in: %s" % str(dir))
+ #compile_file(dir) #always recompile the folder plugin
+ logging.info("plugin model dir: %s" % str(dir))
+
+ plugins = {}
+ for filename in os.listdir(dir):
+ name, ext = os.path.splitext(filename)
+ if ext == '.py' and not name == '__init__':
+ path = os.path.abspath(os.path.join(dir, filename))
+ try:
+ model = load_custom_model(path)
+ model.name = PLUGIN_NAME_BASE + model.name
+ plugins[model.name] = model
+ except Exception:
+ msg = traceback.format_exc()
+ msg += "\nwhile accessing model in %r" % path
+ plugin_log(msg)
+ logging.warning("Failed to load plugin %r. See %s for details"
+ % (path, PLUGIN_LOG))
+
+ return plugins
+
+
+class ModelList(object):
+ """
+ Contains dictionary of model and their type
+ """
+ def __init__(self):
+ """
+ """
+ self.mydict = {}
+
+ def set_list(self, name, mylist):
+ """
+ :param name: the type of the list
+ :param mylist: the list to add
+
+ """
+ if name not in self.mydict.keys():
+ self.reset_list(name, mylist)
+
+ def reset_list(self, name, mylist):
+ """
+ :param name: the type of the list
+ :param mylist: the list to add
+ """
+ self.mydict[name] = mylist
+
+ def get_list(self):
+ """
+ return all the list stored in a dictionary object
+ """
+ return self.mydict
+
+
+class ModelManagerBase:
+ """
+ Base class for the model manager
+ """
+ ## external dict for models
+ model_combobox = ModelList()
+ ## Dictionary of form factor models
+ form_factor_dict = {}
+ ## dictionary of structure factor models
+ struct_factor_dict = {}
+ ##list of structure factors
+ struct_list = []
+ ##list of model allowing multiplication by a structure factor
+ multiplication_factor = []
+ ##list of multifunctional shapes (i.e. that have user defined number of levels
+ multi_func_list = []
+ ## list of added models -- currently python models found in the plugin dir.
+ plugins = []
+ ## Event owner (guiframe)
+ event_owner = None
+ last_time_dir_modified = 0
+
+ def __init__(self):
+ self.model_dictionary = {}
+ self.stored_plugins = {}
+ self._getModelList()
+
+ def findModels(self):
+ """
+ find plugin model in directory of plugin .recompile all file
+ in the directory if file were modified
+ """
+ temp = {}
+ if self.is_changed():
+ temp = _findModels(dir)
+ self.last_time_dir_modified = time.time()
+ return temp
+ logging.info("plugin model : %s" % str(temp))
+ return temp
+
+ def _getModelList(self):
+ """
+ List of models we want to make available by default
+ for this application
+
+ :return: the next free event ID following the new menu events
+
+ """
+
+ # regular model names only
+ self.model_name_list = []
+
+ #Build list automagically from sasmodels package
+ for model in load_standard_models():
+ self.model_dictionary[model.name] = model
+ if model.is_structure_factor:
+ self.struct_list.append(model)
+ if model.is_form_factor:
+ self.multiplication_factor.append(model)
+ if model.is_multiplicity_model:
+ self.multi_func_list.append(model)
+ else:
+ self.model_name_list.append(model.name)
+
+ #Looking for plugins
+ self.stored_plugins = self.findModels()
+ self.plugins = self.stored_plugins.values()
+ for name, plug in self.stored_plugins.iteritems():
+ self.model_dictionary[name] = plug
+
+ self._get_multifunc_models()
+
+ return 0
+
+ def is_changed(self):
+ """
+ check the last time the plugin dir has changed and return true
+ is the directory was modified else return false
+ """
+ is_modified = False
+ plugin_dir = find_plugins_dir()
+ if os.path.isdir(plugin_dir):
+ temp = os.path.getmtime(plugin_dir)
+ if self.last_time_dir_modified < temp:
+ is_modified = True
+ self.last_time_dir_modified = temp
+
+ return is_modified
+
+ def update(self):
+ """
+ return a dictionary of model if
+ new models were added else return empty dictionary
+ """
+ self.plugins = []
+ new_plugins = self.findModels()
+ if new_plugins:
+ for name, plug in new_plugins.items():
+ self.stored_plugins[name] = plug
+ self.plugins.append(plug)
+ self.model_dictionary[name] = plug
+ self.model_combobox.set_list(CUSTOM_MODEL, self.plugins)
+ return self.model_combobox.get_list()
+ else:
+ return {}
+
+ def plugins_reset(self):
+ """
+ return a dictionary of model
+ """
+ self.plugins = []
+ new_plugins = _findModels(dir)
+ for name, plug in new_plugins.iteritems():
+ for stored_name, stored_plug in self.stored_plugins.iteritems():
+ if name == stored_name:
+ del self.stored_plugins[name]
+ del self.model_dictionary[name]
+ break
+ self.stored_plugins[name] = plug
+ self.plugins.append(plug)
+ self.model_dictionary[name] = plug
+
+ self.model_combobox.reset_list("Plugin Models", self.plugins)
+ return self.model_combobox.get_list()
+
+ def _on_model(self, evt):
+ """
+ React to a model menu event
+
+ :param event: wx menu event
+
+ """
+ if int(evt.GetId()) in self.form_factor_dict.keys():
+ from sasmodels.sasview_model import MultiplicationModel
+ self.model_dictionary[MultiplicationModel.__name__] = MultiplicationModel
+ model1, model2 = self.form_factor_dict[int(evt.GetId())]
+ model = MultiplicationModel(model1, model2)
+ else:
+ model = self.struct_factor_dict[str(evt.GetId())]()
+
+
+ def _get_multifunc_models(self):
+ """
+ Get the multifunctional models
+ """
+ items = [item for item in self.plugins if item.is_multiplicity_model]
+ self.multi_func_list = items
+
+ def get_model_list(self):
+ """
+ return dictionary of models for fitpanel use
+
+ """
+ ## Model_list now only contains attribute lists not category list.
+ ## Eventually this should be in one master list -- read in category
+ ## list then pull those models that exist and get attributes then add
+ ## to list ..and if model does not exist remove from list as now
+ ## and update json file.
+ ##
+ ## -PDB April 26, 2014
+
+# self.model_combobox.set_list("Shapes", self.shape_list)
+# self.model_combobox.set_list("Shape-Independent",
+# self.shape_indep_list)
+ self.model_combobox.set_list("Structure Factors", self.struct_list)
+ self.model_combobox.set_list("Plugin Models", self.plugins)
+ self.model_combobox.set_list("P(Q)*S(Q)", self.multiplication_factor)
+ self.model_combobox.set_list("multiplication",
+ self.multiplication_factor)
+ self.model_combobox.set_list("Multi-Functions", self.multi_func_list)
+ return self.model_combobox.get_list()
+
+ def get_model_name_list(self):
+ """
+ return regular model name list
+ """
+ return self.model_name_list
+
+ def get_model_dictionary(self):
+ """
+ return dictionary linking model names to objects
+ """
+ return self.model_dictionary
+
+
+class ModelManager(object):
+ """
+ implement model
+ """
+ __modelmanager = ModelManagerBase()
+ cat_model_list = [__modelmanager.model_dictionary[model_name] for model_name \
+ in __modelmanager.model_dictionary.keys() \
+ if model_name not in __modelmanager.stored_plugins.keys()]
+
+ CategoryInstaller.check_install(model_list=cat_model_list)
+ def findModels(self):
+ return self.__modelmanager.findModels()
+
+ def _getModelList(self):
+ return self.__modelmanager._getModelList()
+
+ def is_changed(self):
+ return self.__modelmanager.is_changed()
+
+ def update(self):
+ return self.__modelmanager.update()
+
+ def plugins_reset(self):
+ return self.__modelmanager.plugins_reset()
+
+ def populate_menu(self, modelmenu, event_owner):
+ return self.__modelmanager.populate_menu(modelmenu, event_owner)
+
+ def _on_model(self, evt):
+ return self.__modelmanager._on_model(evt)
+
+ def _get_multifunc_models(self):
+ return self.__modelmanager._get_multifunc_models()
+
+ def get_model_list(self):
+ return self.__modelmanager.get_model_list()
+
+ def get_model_name_list(self):
+ return self.__modelmanager.get_model_name_list()
+
+ def get_model_dictionary(self):
+ return self.__modelmanager.get_model_dictionary()
diff --git a/src/sas/sasgui/perspectives/fitting/pagestate.py b/src/sas/sasgui/perspectives/fitting/pagestate.py
new file mode 100644
index 0000000..d977ce4
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/pagestate.py
@@ -0,0 +1,1449 @@
+"""
+ Class that holds a fit page state
+"""
+# TODO: Refactor code so we don't need to use getattr/setattr
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txt
+#
+# copyright 2009, University of Tennessee
+################################################################################
+import time
+import os
+import sys
+import wx
+import copy
+import logging
+import numpy
+import traceback
+
+import xml.dom.minidom
+from xml.dom.minidom import parseString
+from lxml import etree
+
+from sasmodels import convert
+import sasmodels.weights
+
+import sas.sascalc.dataloader
+from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader
+from sas.sascalc.dataloader.readers.cansas_reader import get_content, write_node
+from sas.sascalc.dataloader.data_info import Data2D, Collimation, Detector
+from sas.sascalc.dataloader.data_info import Process, Aperture
+
+# Information to read/write state as xml
+FITTING_NODE_NAME = 'fitting_plug_in'
+CANSAS_NS = "cansas1d/1.0"
+
+CUSTOM_MODEL = 'Plugin Models'
+CUSTOM_MODEL_OLD = 'Customized Models'
+
+LIST_OF_DATA_ATTRIBUTES = [["is_data", "is_data", "bool"],
+ ["group_id", "data_group_id", "string"],
+ ["data_name", "data_name", "string"],
+ ["data_id", "data_id", "string"],
+ ["name", "name", "string"],
+ ["data_name", "data_name", "string"]]
+LIST_OF_STATE_ATTRIBUTES = [["qmin", "qmin", "float"],
+ ["qmax", "qmax", "float"],
+ ["npts", "npts", "float"],
+ ["categorycombobox", "categorycombobox", "string"],
+ ["formfactorcombobox", "formfactorcombobox",
+ "string"],
+ ["structurecombobox", "structurecombobox",
+ "string"],
+ ["multi_factor", "multi_factor", "float"],
+ ["magnetic_on", "magnetic_on", "bool"],
+ ["enable_smearer", "enable_smearer", "bool"],
+ ["disable_smearer", "disable_smearer", "bool"],
+ ["pinhole_smearer", "pinhole_smearer", "bool"],
+ ["slit_smearer", "slit_smearer", "bool"],
+ ["enable_disp", "enable_disp", "bool"],
+ ["disable_disp", "disable_disp", "bool"],
+ ["dI_noweight", "dI_noweight", "bool"],
+ ["dI_didata", "dI_didata", "bool"],
+ ["dI_sqrdata", "dI_sqrdata", "bool"],
+ ["dI_idata", "dI_idata", "bool"],
+ ["enable2D", "enable2D", "bool"],
+ ["cb1", "cb1", "bool"],
+ ["tcChi", "tcChi", "float"],
+ ["smearer", "smearer", "float"],
+ ["smear_type", "smear_type", "string"],
+ ["dq_l", "dq_l", "float"],
+ ["dq_r", "dq_r", "float"],
+ ["dx_percent", "dx_percent", "float"],
+ ["dxl", "dxl", "float"],
+ ["dxw", "dxw", "float"]]
+
+LIST_OF_MODEL_ATTRIBUTES = [["values", "values"],
+ ["weights", "weights"]]
+
+DISPERSION_LIST = [["disp_obj_dict", "_disp_obj_dict", "string"]]
+
+LIST_OF_STATE_PARAMETERS = [["parameters", "parameters"],
+ ["str_parameters", "str_parameters"],
+ ["orientation_parameters", "orientation_params"],
+ ["dispersity_parameters",
+ "orientation_params_disp"],
+ ["fixed_param", "fixed_param"],
+ ["fittable_param", "fittable_param"]]
+LIST_OF_DATA_2D_ATTR = [["xmin", "xmin", "float"],
+ ["xmax", "xmax", "float"],
+ ["ymin", "ymin", "float"],
+ ["ymax", "ymax", "float"],
+ ["_xaxis", "_xaxis", "string"],
+ ["_xunit", "_xunit", "string"],
+ ["_yaxis", "_yaxis", "string"],
+ ["_yunit", "_yunit", "string"],
+ ["_zaxis", "_zaxis", "string"],
+ ["_zunit", "_zunit", "string"]]
+LIST_OF_DATA_2D_VALUES = [["qx_data", "qx_data", "float"],
+ ["qy_data", "qy_data", "float"],
+ ["dqx_data", "dqx_data", "float"],
+ ["dqy_data", "dqy_data", "float"],
+ ["data", "data", "float"],
+ ["q_data", "q_data", "float"],
+ ["err_data", "err_data", "float"],
+ ["mask", "mask", "bool"]]
+
+
+def parse_entry_helper(node, item):
+ """
+ Create a numpy list from value extrated from the node
+
+ :param node: node from each the value is stored
+ :param item: list name of three strings.the two first are name of data
+ attribute and the third one is the type of the value of that
+ attribute. type can be string, float, bool, etc.
+
+ : return: numpy array
+ """
+ if node is not None:
+ if item[2] == "string":
+ return str(node.get(item[0]).strip())
+ elif item[2] == "bool":
+ try:
+ return node.get(item[0]).strip() == "True"
+ except Exception:
+ return None
+ else:
+ try:
+ return float(node.get(item[0]))
+ except Exception:
+ return None
+
+
+class PageState(object):
+ """
+ Contains information to reconstruct a page of the fitpanel.
+ """
+ def __init__(self, parent=None, model=None, data=None):
+ """
+ Initialize the current state
+
+ :param model: a selected model within a page
+ :param data:
+
+ """
+ self.file = None
+ # Time of state creation
+ self.timestamp = time.time()
+ # Data member to store the dispersion object created
+ self._disp_obj_dict = {}
+ # ------------------------
+ # Data used for fitting
+ self.data = data
+ # model data
+ self.theory_data = None
+ # Is 2D
+ self.is_2D = False
+ self.images = None
+
+ # save additional information on data that dataloader.reader
+ # does not read
+ self.is_data = None
+ self.data_name = ""
+
+ if self.data is not None:
+ self.data_name = self.data.name
+ self.data_id = None
+ if self.data is not None and hasattr(self.data, "id"):
+ self.data_id = self.data.id
+ self.data_group_id = None
+ if self.data is not None and hasattr(self.data, "group_id"):
+ self.data_group_id = self.data.group_id
+
+ # reset True change the state of existing button
+ self.reset = False
+
+ # flag to allow data2D plot
+ self.enable2D = False
+ # model on which the fit would be performed
+ self.model = model
+ self.m_name = None
+ # list of process done to model
+ self.process = []
+ # fit page manager
+ self.manager = None
+ # Store the parent of this panel parent
+ # For this application fitpanel is the parent
+ self.parent = parent
+ # Event_owner is the owner of model event
+ self.event_owner = None
+ # page name
+ self.page_name = ""
+ # Contains link between model, its parameters, and panel organization
+ self.parameters = []
+ # String parameter list that can not be fitted
+ self.str_parameters = []
+ # Contains list of parameters that cannot be fitted and reference to
+ # panel objects
+ self.fixed_param = []
+ # Contains list of parameters with dispersity and reference to
+ # panel objects
+ self.fittable_param = []
+ # orientation parameters
+ self.orientation_params = []
+ # orientation parameters for gaussian dispersity
+ self.orientation_params_disp = []
+ # smearer info
+ self.smearer = None
+ self.smear_type = None
+ self.dq_l = None
+ self.dq_r = None
+ self.dx_percent = None
+ self.dx_old = False
+ self.dxl = None
+ self.dxw = None
+ # list of dispersion parameters
+ self.disp_list = []
+ if self.model is not None:
+ self.disp_list = self.model.getDispParamList()
+
+ self.disp_cb_dict = {}
+ self.values = {}
+ self.weights = {}
+
+ # contains link between a model and selected parameters to fit
+ self.param_toFit = []
+ # dictionary of model type and model class
+ self.model_list_box = None
+ # save the state of the context menu
+ self.saved_states = {}
+ # save selection of combobox
+ self.formfactorcombobox = None
+ self.categorycombobox = None
+ self.structurecombobox = None
+
+ # radio box to select type of model
+ # self.shape_rbutton = False
+ # self.shape_indep_rbutton = False
+ # self.struct_rbutton = False
+ # self.plugin_rbutton = False
+ # the indice of the current selection
+ self.disp_box = 0
+ # Qrange
+ # Q range
+ self.qmin = 0.001
+ self.qmax = 0.1
+ # reset data range
+ self.qmax_x = None
+ self.qmin_x = None
+
+ self.npts = None
+ self.name = ""
+ self.multi_factor = None
+ self.magnetic_on = False
+ # enable smearering state
+ self.enable_smearer = False
+ self.disable_smearer = True
+ self.pinhole_smearer = False
+ self.slit_smearer = False
+ # weighting options
+ self.dI_noweight = False
+ self.dI_didata = True
+ self.dI_sqrdata = False
+ self.dI_idata = False
+ # disperity selection
+ self.enable_disp = False
+ self.disable_disp = True
+
+ # state of selected all check button
+ self.cb1 = False
+ # store value of chisqr
+ self.tcChi = None
+ self.version = (1,0,0)
+
+ def clone(self):
+ """
+ Create a new copy of the current object
+ """
+ model = None
+ if self.model is not None:
+ model = self.model.clone()
+ model.name = self.model.name
+ obj = PageState(self.parent, model=model)
+ obj.file = copy.deepcopy(self.file)
+ obj.data = copy.deepcopy(self.data)
+ if self.data is not None:
+ self.data_name = self.data.name
+ obj.data_name = self.data_name
+ obj.is_data = self.is_data
+ obj.model_list_box = copy.deepcopy(self.model_list_box)
+
+ obj.categorycombobox = self.categorycombobox
+ obj.formfactorcombobox = self.formfactorcombobox
+ obj.structurecombobox = self.structurecombobox
+
+ # obj.shape_rbutton = self.shape_rbutton
+ # obj.shape_indep_rbutton = self.shape_indep_rbutton
+ # obj.struct_rbutton = self.struct_rbutton
+ # obj.plugin_rbutton = self.plugin_rbutton
+
+ obj.manager = self.manager
+ obj.event_owner = self.event_owner
+ obj.disp_list = copy.deepcopy(self.disp_list)
+
+ obj.enable2D = copy.deepcopy(self.enable2D)
+ obj.parameters = copy.deepcopy(self.parameters)
+ obj.str_parameters = copy.deepcopy(self.str_parameters)
+ obj.fixed_param = copy.deepcopy(self.fixed_param)
+ obj.fittable_param = copy.deepcopy(self.fittable_param)
+ obj.orientation_params = copy.deepcopy(self.orientation_params)
+ obj.orientation_params_disp = \
+ copy.deepcopy(self.orientation_params_disp)
+ obj.enable_disp = copy.deepcopy(self.enable_disp)
+ obj.disable_disp = copy.deepcopy(self.disable_disp)
+ obj.tcChi = self.tcChi
+
+ if len(self._disp_obj_dict) > 0:
+ for k, v in self._disp_obj_dict.iteritems():
+ obj._disp_obj_dict[k] = v
+ if len(self.disp_cb_dict) > 0:
+ for k, v in self.disp_cb_dict.iteritems():
+ obj.disp_cb_dict[k] = v
+ if len(self.values) > 0:
+ for k, v in self.values.iteritems():
+ obj.values[k] = v
+ if len(self.weights) > 0:
+ for k, v in self.weights.iteritems():
+ obj.weights[k] = v
+ obj.enable_smearer = copy.deepcopy(self.enable_smearer)
+ obj.disable_smearer = copy.deepcopy(self.disable_smearer)
+ obj.pinhole_smearer = copy.deepcopy(self.pinhole_smearer)
+ obj.slit_smearer = copy.deepcopy(self.slit_smearer)
+ obj.smear_type = copy.deepcopy(self.smear_type)
+ obj.dI_noweight = copy.deepcopy(self.dI_noweight)
+ obj.dI_didata = copy.deepcopy(self.dI_didata)
+ obj.dI_sqrdata = copy.deepcopy(self.dI_sqrdata)
+ obj.dI_idata = copy.deepcopy(self.dI_idata)
+ obj.dq_l = copy.deepcopy(self.dq_l)
+ obj.dq_r = copy.deepcopy(self.dq_r)
+ obj.dx_percent = copy.deepcopy(self.dx_percent)
+ obj.dx_old = copy.deepcopy(self.dx_old)
+ obj.dxl = copy.deepcopy(self.dxl)
+ obj.dxw = copy.deepcopy(self.dxw)
+ obj.disp_box = copy.deepcopy(self.disp_box)
+ obj.qmin = copy.deepcopy(self.qmin)
+ obj.qmax = copy.deepcopy(self.qmax)
+ obj.multi_factor = self.multi_factor
+ obj.magnetic_on = self.magnetic_on
+ obj.npts = copy.deepcopy(self.npts)
+ obj.cb1 = copy.deepcopy(self.cb1)
+ obj.smearer = copy.deepcopy(self.smearer)
+ obj.version = copy.deepcopy(self.version)
+
+ for name, state in self.saved_states.iteritems():
+ copy_name = copy.deepcopy(name)
+ copy_state = state.clone()
+ obj.saved_states[copy_name] = copy_state
+ return obj
+
+ def _old_first_model(self):
+ """
+ Handle save states from 4.0.1 and before where the first item in the
+ selection boxes of category, formfactor and structurefactor were not
+ saved.
+ :return: None
+ """
+ if self.categorycombobox == CUSTOM_MODEL_OLD:
+ self.categorycombobox = CUSTOM_MODEL
+ if self.formfactorcombobox == '':
+ FIRST_FORM = {
+ 'Shapes' : 'BCCrystalModel',
+ 'Uncategorized' : 'LineModel',
+ 'StructureFactor' : 'HardsphereStructure',
+ 'Ellipsoid' : 'core_shell_ellipsoid',
+ 'Lamellae' : 'lamellar',
+ 'Paracrystal' : 'bcc_paracrystal',
+ 'Parallelepiped' : 'core_shell_parallelepiped',
+ 'Shape Independent' : 'be_polyelectrolyte',
+ 'Sphere' : 'adsorbed_layer',
+ 'Structure Factor' : 'hardsphere',
+ CUSTOM_MODEL : ''
+ }
+ if self.categorycombobox == '':
+ if len(self.parameters) == 3:
+ self.categorycombobox = "Shape-Independent"
+ self.formfactorcombobox = 'PowerLawAbsModel'
+ elif len(self.parameters) == 9:
+ self.categorycombobox = 'Cylinder'
+ self.formfactorcombobox = 'barbell'
+ else:
+ msg = "Save state does not have enough information to load"
+ msg += " the all of the data."
+ logging.warning(msg=msg)
+ else:
+ self.formfactorcombobox = FIRST_FORM[self.categorycombobox]
+
+ @staticmethod
+ def param_remap_to_sasmodels_convert(params, is_string=False):
+ """
+ Remaps the parameters for sasmodels conversion
+
+ :param params: list of parameters (likely self.parameters)
+ :return: remapped dictionary of parameters
+ """
+ p = dict()
+ for fittable, name, value, _, uncert, lower, upper, units in params:
+ if not value:
+ value = numpy.nan
+ if not uncert or uncert[1] == '' or uncert[1] == 'None':
+ uncert[0] = False
+ uncert[1] = numpy.nan
+ if not upper or upper[1] == '' or upper[1] == 'None':
+ upper[0] = False
+ upper[1] = numpy.nan
+ if not lower or lower[1] == '' or lower[1] == 'None':
+ lower[0] = False
+ lower[1] = numpy.nan
+ if is_string:
+ p[name] = str(value)
+ else:
+ p[name] = float(value)
+ p[name + ".fittable"] = bool(fittable)
+ p[name + ".std"] = float(uncert[1])
+ p[name + ".upper"] = float(upper[1])
+ p[name + ".lower"] = float(lower[1])
+ p[name + ".units"] = units
+ return p
+
+ @staticmethod
+ def param_remap_from_sasmodels_convert(params):
+ """
+ Converts {name : value} map back to [] param list
+ :param params: parameter map returned from sasmodels
+ :return: None
+ """
+ p_map = []
+ for name, info in params.iteritems():
+ if ".fittable" in name or ".std" in name or ".upper" in name or \
+ ".lower" in name or ".units" in name:
+ pass
+ else:
+ fittable = params.get(name + ".fittable", True)
+ std = params.get(name + ".std", '0.0')
+ upper = params.get(name + ".upper", 'inf')
+ lower = params.get(name + ".lower", '-inf')
+ units = params.get(name + ".units")
+ if std is not None and std is not numpy.nan:
+ std = [True, str(std)]
+ else:
+ std = [False, '']
+ if lower is not None and lower is not numpy.nan:
+ lower = [True, str(lower)]
+ else:
+ lower = [True, '-inf']
+ if upper is not None and upper is not numpy.nan:
+ upper = [True, str(upper)]
+ else:
+ upper = [True, 'inf']
+ param_list = [bool(fittable), str(name), str(info),
+ "+/-", std, lower, upper, str(units)]
+ p_map.append(param_list)
+ return p_map
+
+ def _convert_to_sasmodels(self):
+ """
+ Convert parameters to a form usable by sasmodels converter
+
+ :return: None
+ """
+ # Create conversion dictionary to send to sasmodels
+ self._old_first_model()
+ p = self.param_remap_to_sasmodels_convert(self.parameters)
+ structurefactor, params = convert.convert_model(self.structurecombobox,
+ p, False, self.version)
+ formfactor, params = convert.convert_model(self.formfactorcombobox,
+ params, False, self.version)
+ if len(self.str_parameters) > 0:
+ str_pars = self.param_remap_to_sasmodels_convert(
+ self.str_parameters, True)
+ formfactor, str_params = convert.convert_model(
+ self.formfactorcombobox, str_pars, False, self.version)
+ for key, value in str_params.iteritems():
+ params[key] = value
+
+ if self.formfactorcombobox == 'SphericalSLDModel':
+ self.multi_factor += 1
+ self.formfactorcombobox = formfactor
+ self.structurecombobox = structurefactor
+ self.parameters = []
+ self.parameters = self.param_remap_from_sasmodels_convert(params)
+
+ def _repr_helper(self, list, rep):
+ """
+ Helper method to print a state
+ """
+ for item in list:
+ rep += "parameter name: %s \n" % str(item[1])
+ rep += "value: %s\n" % str(item[2])
+ rep += "selected: %s\n" % str(item[0])
+ rep += "error displayed : %s \n" % str(item[4][0])
+ rep += "error value:%s \n" % str(item[4][1])
+ rep += "minimum displayed : %s \n" % str(item[5][0])
+ rep += "minimum value : %s \n" % str(item[5][1])
+ rep += "maximum displayed : %s \n" % str(item[6][0])
+ rep += "maximum value : %s \n" % str(item[6][1])
+ rep += "parameter unit: %s\n\n" % str(item[7])
+ return rep
+
+ def __repr__(self):
+ """
+ output string for printing
+ """
+ rep = "\nState name: %s\n" % self.file
+ t = time.localtime(self.timestamp)
+ time_str = time.strftime("%b %d %Y %H;%M;%S ", t)
+
+ rep += "State created: %s\n" % time_str
+ rep += "State form factor combobox selection: %s\n" % \
+ self.formfactorcombobox
+ rep += "State structure factor combobox selection: %s\n" % \
+ self.structurecombobox
+ rep += "is data : %s\n" % self.is_data
+ rep += "data's name : %s\n" % self.data_name
+ rep += "data's id : %s\n" % self.data_id
+ if self.model is not None:
+ m_name = self.model.__class__.__name__
+ if m_name == 'Model':
+ m_name = self.m_name
+ rep += "model name : %s\n" % m_name
+ else:
+ rep += "model name : None\n"
+ rep += "multi_factor : %s\n" % str(self.multi_factor)
+ rep += "magnetic_on : %s\n" % str(self.magnetic_on)
+ rep += "model type (Category) selected: %s\n" % self.categorycombobox
+ rep += "data : %s\n" % str(self.data)
+ rep += "Plotting Range: min: %s, max: %s, steps: %s\n" % \
+ (str(self.qmin), str(self.qmax), str(self.npts))
+ rep += "Dispersion selection : %s\n" % str(self.disp_box)
+ rep += "Smearing enable : %s\n" % str(self.enable_smearer)
+ rep += "Smearing disable : %s\n" % str(self.disable_smearer)
+ rep += "Pinhole smearer enable : %s\n" % str(self.pinhole_smearer)
+ rep += "Slit smearer enable : %s\n" % str(self.slit_smearer)
+ rep += "Dispersity enable : %s\n" % str(self.enable_disp)
+ rep += "Dispersity disable : %s\n" % str(self.disable_disp)
+ rep += "Slit smearer enable: %s\n" % str(self.slit_smearer)
+
+ rep += "dI_noweight : %s\n" % str(self.dI_noweight)
+ rep += "dI_didata : %s\n" % str(self.dI_didata)
+ rep += "dI_sqrdata : %s\n" % str(self.dI_sqrdata)
+ rep += "dI_idata : %s\n" % str(self.dI_idata)
+
+ rep += "2D enable : %s\n" % str(self.enable2D)
+ rep += "All parameters checkbox selected: %s\n" % self.cb1
+ rep += "Value of Chisqr : %s\n" % str(self.tcChi)
+ rep += "Smear object : %s\n" % self.smearer
+ rep += "Smear type : %s\n" % self.smear_type
+ rep += "dq_l : %s\n" % self.dq_l
+ rep += "dq_r : %s\n" % self.dq_r
+ rep += "dx_percent : %s\n" % str(self.dx_percent)
+ rep += "dxl : %s\n" % str(self.dxl)
+ rep += "dxw : %s\n" % str(self.dxw)
+ rep += "model : %s\n\n" % str(self.model)
+ temp_parameters = []
+ temp_fittable_param = []
+ if self.data.__class__.__name__ == "Data2D":
+ self.is_2D = True
+ else:
+ self.is_2D = False
+ if self.data is not None:
+ if not self.is_2D:
+ for item in self.parameters:
+ if item not in self.orientation_params:
+ temp_parameters.append(item)
+ for item in self.fittable_param:
+ if item not in self.orientation_params_disp:
+ temp_fittable_param.append(item)
+ else:
+ temp_parameters = self.parameters
+ temp_fittable_param = self.fittable_param
+
+ rep += "number parameters(self.parameters): %s\n" % \
+ len(temp_parameters)
+ rep = self._repr_helper(list=temp_parameters, rep=rep)
+ rep += "number str_parameters(self.str_parameters): %s\n" % \
+ len(self.str_parameters)
+ rep = self._repr_helper(list=self.str_parameters, rep=rep)
+ rep += "number fittable_param(self.fittable_param): %s\n" % \
+ len(temp_fittable_param)
+ rep = self._repr_helper(list=temp_fittable_param, rep=rep)
+ return rep
+
+ def set_report_string(self):
+ """
+ Get the values (strings) from __str__ for report
+ """
+ # Dictionary of the report strings
+ repo_time = ""
+ model_name = ""
+ title = ""
+ title_name = ""
+ file_name = ""
+ param_string = ""
+ paramval_string = ""
+ chi2_string = ""
+ q_range = ""
+ strings = self.__repr__()
+ lines = strings.split('\n')
+
+ # get all string values from __str__()
+ for line in lines:
+ value = ""
+ content = line.split(":")
+ name = content[0]
+ try:
+ value = content[1]
+ except Exception:
+ msg = "Report string expected 'name: value' but got %r" % line
+ logging.error(msg)
+ if name.count("State created"):
+ repo_time = "" + value
+ if name.count("parameter name"):
+ val_name = value.split(".")
+ if len(val_name) > 1:
+ if val_name[1].count("width"):
+ param_string += value + ','
+ else:
+ continue
+ else:
+ param_string += value + ','
+ if name == "value":
+ param_string += value + ','
+ fixed_parameter = False
+ if name == "selected":
+ if value == u' False':
+ fixed_parameter = True
+ if name == "error value":
+ if fixed_parameter:
+ param_string += '(fixed),'
+ else:
+ param_string += value + ','
+ if name == "parameter unit":
+ param_string += value + ':'
+ if name == "Value of Chisqr ":
+ chi2 = ("Chi2/Npts = " + value)
+ chi2_string = CENTRE % chi2
+ if name == "Title":
+ if len(value.strip()) == 0:
+ continue
+ title = value + " [" + repo_time + "]"
+ title_name = HEADER % title
+ if name == "data ":
+ try:
+ file_value = ("File name:" + content[2])
+ file_name = CENTRE % file_value
+ if len(title) == 0:
+ title = content[2] + " [" + repo_time + "]"
+ title_name = HEADER % title
+ except Exception:
+ msg = "While parsing 'data: ...'\n"
+ logging.error(msg + traceback.format_exc())
+ if name == "model name ":
+ try:
+ modelname = "Model name:" + content[1]
+ except:
+ modelname = "Model name:" + " NAN"
+ model_name = CENTRE % modelname
+
+ if name == "Plotting Range":
+ try:
+ q_range = content[1] + " = " + content[2] \
+ + " = " + content[3].split(",")[0]
+ q_name = ("Q Range: " + q_range)
+ q_range = CENTRE % q_name
+ except Exception:
+ msg = "While parsing 'Plotting Range: ...'\n"
+ logging.error(msg + traceback.format_exc())
+ paramval = ""
+ for lines in param_string.split(":"):
+ line = lines.split(",")
+ if len(lines) > 0:
+ param = line[0]
+ param += " = " + line[1]
+ if len(line[2].split()) > 0 and not line[2].count("None"):
+ param += " +- " + line[2]
+ if len(line[3].split()) > 0 and not line[3].count("None"):
+ param += " " + line[3]
+ if not paramval.count(param):
+ paramval += param + "\n"
+ paramval_string += CENTRE % param + "\n"
+
+ text_string = "\n\n\n%s\n\n%s\n%s\n%s\n\n%s" % \
+ (title, file, q_name, chi2, paramval)
+
+ title_name = self._check_html_format(title_name)
+ file_name = self._check_html_format(file_name)
+ title = self._check_html_format(title)
+
+ html_string = title_name + "\n" + file_name + \
+ "\n" + model_name + \
+ "\n" + q_range + \
+ "\n" + chi2_string + \
+ "\n" + ELINE + \
+ "\n" + paramval_string + \
+ "\n" + ELINE + \
+ "\n" + FEET_1 % title + \
+ "\n" + FEET_2
+
+ return html_string, text_string, title
+
+ def _check_html_format(self, name):
+ """
+ Check string '%' for html format
+ """
+ if name.count('%'):
+ name = name.replace('%', '%')
+
+ return name
+
+ def report(self, figs=None, canvases=None):
+ """
+ Invoke report dialog panel
+
+ : param figs: list of pylab figures [list]
+ """
+ from sas.sasgui.perspectives.fitting.report_dialog import ReportDialog
+ # get the strings for report
+ html_str, text_str, title = self.set_report_string()
+ # Allow 2 figures to append
+ if len(figs) == 1:
+ add_str = FEET_3
+ elif len(figs) == 2:
+ add_str = ELINE
+ add_str += FEET_2 % ("%s")
+ add_str += ELINE
+ add_str += FEET_3
+ elif len(figs) > 2:
+ add_str = ELINE
+ add_str += FEET_2 % ("%s")
+ add_str += ELINE
+ add_str += FEET_2 % ("%s")
+ add_str += ELINE
+ add_str += FEET_3
+ else:
+ add_str = ""
+
+ # final report html strings
+ report_str = html_str % ("%s") + add_str
+
+ # make plot image
+ images = self.set_plot_state(figs, canvases)
+ report_list = [report_str, text_str, images]
+ dialog = ReportDialog(report_list, None, wx.ID_ANY, "")
+ dialog.Show()
+
+ def _to_xml_helper(self, thelist, element, newdoc):
+ """
+ Helper method to create xml file for saving state
+ """
+ for item in thelist:
+ sub_element = newdoc.createElement('parameter')
+ sub_element.setAttribute('name', str(item[1]))
+ sub_element.setAttribute('value', str(item[2]))
+ sub_element.setAttribute('selected_to_fit', str(item[0]))
+ sub_element.setAttribute('error_displayed', str(item[4][0]))
+ sub_element.setAttribute('error_value', str(item[4][1]))
+ sub_element.setAttribute('minimum_displayed', str(item[5][0]))
+ sub_element.setAttribute('minimum_value', str(item[5][1]))
+ sub_element.setAttribute('maximum_displayed', str(item[6][0]))
+ sub_element.setAttribute('maximum_value', str(item[6][1]))
+ sub_element.setAttribute('unit', str(item[7]))
+ element.appendChild(sub_element)
+
+ def to_xml(self, file="fitting_state.fitv", doc=None,
+ entry_node=None, batch_fit_state=None):
+ """
+ Writes the state of the fit panel to file, as XML.
+
+ Compatible with standalone writing, or appending to an
+ already existing XML document. In that case, the XML document is
+ required. An optional entry node in the XML document may also be given.
+
+ :param file: file to write to
+ :param doc: XML document object [optional]
+ :param entry_node: XML node within the XML document at which we
+ will append the data [optional]
+ :param batch_fit_state: simultaneous fit state
+ """
+ from xml.dom.minidom import getDOMImplementation
+
+ # Check whether we have to write a standalone XML file
+ if doc is None:
+ impl = getDOMImplementation()
+ doc_type = impl.createDocumentType(FITTING_NODE_NAME, "1.0", "1.0")
+ newdoc = impl.createDocument(None, FITTING_NODE_NAME, doc_type)
+ top_element = newdoc.documentElement
+ else:
+ # We are appending to an existing document
+ newdoc = doc
+ try:
+ top_element = newdoc.createElement(FITTING_NODE_NAME)
+ except:
+ string = etree.tostring(doc, pretty_print=True)
+ newdoc = parseString(string)
+ top_element = newdoc.createElement(FITTING_NODE_NAME)
+ if entry_node is None:
+ newdoc.documentElement.appendChild(top_element)
+ else:
+ try:
+ entry_node.appendChild(top_element)
+ except:
+ node_name = entry_node.tag
+ node_list = newdoc.getElementsByTagName(node_name)
+ entry_node = node_list.item(0)
+ entry_node.appendChild(top_element)
+
+ attr = newdoc.createAttribute("version")
+ from sas import sasview
+ attr.nodeValue = sasview.__version__
+ # attr.nodeValue = '1.0'
+ top_element.setAttributeNode(attr)
+
+ # File name
+ element = newdoc.createElement("filename")
+ if self.file is not None:
+ element.appendChild(newdoc.createTextNode(str(self.file)))
+ else:
+ element.appendChild(newdoc.createTextNode(str(file)))
+ top_element.appendChild(element)
+
+ element = newdoc.createElement("timestamp")
+ element.appendChild(newdoc.createTextNode(time.ctime(self.timestamp)))
+ attr = newdoc.createAttribute("epoch")
+ attr.nodeValue = str(self.timestamp)
+ element.setAttributeNode(attr)
+ top_element.appendChild(element)
+
+ # Inputs
+ inputs = newdoc.createElement("Attributes")
+ top_element.appendChild(inputs)
+
+ if self.data is not None and hasattr(self.data, "group_id"):
+ self.data_group_id = self.data.group_id
+ if self.data is not None and hasattr(self.data, "is_data"):
+ self.is_data = self.data.is_data
+ if self.data is not None:
+ self.data_name = self.data.name
+ if self.data is not None and hasattr(self.data, "id"):
+ self.data_id = self.data.id
+
+ for item in LIST_OF_DATA_ATTRIBUTES:
+ element = newdoc.createElement(item[0])
+ element.setAttribute(item[0], str(getattr(self, item[1])))
+ inputs.appendChild(element)
+
+ for item in LIST_OF_STATE_ATTRIBUTES:
+ element = newdoc.createElement(item[0])
+ element.setAttribute(item[0], str(getattr(self, item[1])))
+ inputs.appendChild(element)
+
+ # For self.values ={ disp_param_name: [vals,...],...}
+ # and for self.weights ={ disp_param_name: [weights,...],...}
+ for item in LIST_OF_MODEL_ATTRIBUTES:
+ element = newdoc.createElement(item[0])
+ value_list = getattr(self, item[1])
+ for key, value in value_list.iteritems():
+ sub_element = newdoc.createElement(key)
+ sub_element.setAttribute('name', str(key))
+ for val in value:
+ sub_element.appendChild(newdoc.createTextNode(str(val)))
+
+ element.appendChild(sub_element)
+ inputs.appendChild(element)
+
+ # Create doc for the dictionary of self._disp_obj_dic
+ for tagname, varname, tagtype in DISPERSION_LIST:
+ element = newdoc.createElement(tagname)
+ value_list = getattr(self, varname)
+ for key, value in value_list.iteritems():
+ sub_element = newdoc.createElement(key)
+ sub_element.setAttribute('name', str(key))
+ sub_element.setAttribute('value', str(value))
+ element.appendChild(sub_element)
+ inputs.appendChild(element)
+
+ for item in LIST_OF_STATE_PARAMETERS:
+ element = newdoc.createElement(item[0])
+ self._to_xml_helper(thelist=getattr(self, item[1]),
+ element=element, newdoc=newdoc)
+ inputs.appendChild(element)
+
+ # Combined and Simultaneous Fit Parameters
+ if batch_fit_state is not None:
+ batch_combo = newdoc.createElement('simultaneous_fit')
+ top_element.appendChild(batch_combo)
+
+ # Simultaneous Fit Number For Linking Later
+ element = newdoc.createElement('sim_fit_number')
+ element.setAttribute('fit_number', str(batch_fit_state.fit_page_no))
+ batch_combo.appendChild(element)
+
+ # Save constraints
+ constraints = newdoc.createElement('constraints')
+ batch_combo.appendChild(constraints)
+ for constraint in batch_fit_state.constraints_list:
+ if constraint.model_cbox.GetValue() != "":
+ # model_cbox, param_cbox, egal_txt, constraint,
+ # btRemove, sizer
+ doc_cons = newdoc.createElement('constraint')
+ doc_cons.setAttribute('model_cbox',
+ str(constraint.model_cbox.GetValue()))
+ doc_cons.setAttribute('param_cbox',
+ str(constraint.param_cbox.GetValue()))
+ doc_cons.setAttribute('egal_txt',
+ str(constraint.egal_txt.GetLabel()))
+ doc_cons.setAttribute('constraint',
+ str(constraint.constraint.GetValue()))
+ constraints.appendChild(doc_cons)
+
+ # Save all models
+ models = newdoc.createElement('model_list')
+ batch_combo.appendChild(models)
+ for model in batch_fit_state.model_list:
+ doc_model = newdoc.createElement('model_list_item')
+ doc_model.setAttribute('checked', str(model[0].GetValue()))
+ keys = model[1].keys()
+ doc_model.setAttribute('name', str(keys[0]))
+ values = model[1].get(keys[0])
+ doc_model.setAttribute('fit_number', str(model[2]))
+ doc_model.setAttribute('fit_page_source', str(model[3]))
+ doc_model.setAttribute('model_name', str(values.model.id))
+ models.appendChild(doc_model)
+
+ # Select All Checkbox
+ element = newdoc.createElement('select_all')
+ if batch_fit_state.select_all:
+ element.setAttribute('checked', 'True')
+ else:
+ element.setAttribute('checked', 'False')
+ batch_combo.appendChild(element)
+
+ # Save the file
+ if doc is None:
+ fd = open(file, 'w')
+ fd.write(newdoc.toprettyxml())
+ fd.close()
+ return None
+ else:
+ return newdoc
+
+ def _from_xml_helper(self, node, list):
+ """
+ Helper function to write state to xml
+ """
+ for item in node:
+ try:
+ name = item.get('name')
+ except:
+ name = None
+ try:
+ value = item.get('value')
+ except:
+ value = None
+ try:
+ selected_to_fit = (item.get('selected_to_fit') == "True")
+ except:
+ selected_to_fit = None
+ try:
+ error_displayed = (item.get('error_displayed') == "True")
+ except:
+ error_displayed = None
+ try:
+ error_value = item.get('error_value')
+ except:
+ error_value = None
+ try:
+ minimum_displayed = (item.get('minimum_displayed') == "True")
+ except:
+ minimum_displayed = None
+ try:
+ minimum_value = item.get('minimum_value')
+ except:
+ minimum_value = None
+ try:
+ maximum_displayed = (item.get('maximum_displayed') == "True")
+ except:
+ maximum_displayed = None
+ try:
+ maximum_value = item.get('maximum_value')
+ except:
+ maximum_value = None
+ try:
+ unit = item.get('unit')
+ except:
+ unit = None
+ list.append([selected_to_fit, name, value, "+/-",
+ [error_displayed, error_value],
+ [minimum_displayed, minimum_value],
+ [maximum_displayed, maximum_value], unit])
+
+ def from_xml(self, file=None, node=None):
+ """
+ Load fitting state from a file
+
+ :param file: .fitv file
+ :param node: node of a XML document to read from
+ """
+ if file is not None:
+ msg = "PageState no longer supports non-CanSAS"
+ msg += " format for fitting files"
+ raise RuntimeError, msg
+
+ if node.get('version'):
+ # Get the version for model conversion purposes
+ self.version = tuple(int(e) for e in
+ str.split(node.get('version'), "."))
+ # The tuple must be at least 3 items long
+ while len(self.version) < 3:
+ ver_list = list(self.version)
+ ver_list.append(0)
+ self.version = tuple(ver_list)
+
+ # Get file name
+ entry = get_content('ns:filename', node)
+ if entry is not None:
+ self.file = entry.text.strip()
+
+ # Get time stamp
+ entry = get_content('ns:timestamp', node)
+ if entry is not None and entry.get('epoch'):
+ try:
+ self.timestamp = float(entry.get('epoch'))
+ except:
+ msg = "PageState.fromXML: Could not"
+ msg += " read timestamp\n %s" % sys.exc_value
+ logging.error(msg)
+
+ if entry is not None:
+ # Parse fitting attributes
+ entry = get_content('ns:Attributes', node)
+ for item in LIST_OF_DATA_ATTRIBUTES:
+ node = get_content('ns:%s' % item[0], entry)
+ setattr(self, item[0], parse_entry_helper(node, item))
+
+ dx_old_node = get_content('ns:%s' % 'dx_min', entry)
+ for item in LIST_OF_STATE_ATTRIBUTES:
+ if item[0] == "dx_percent" and dx_old_node is not None:
+ dxmin = ["dx_min", "dx_min", "float"]
+ setattr(self, item[0], parse_entry_helper(dx_old_node,
+ dxmin))
+ self.dx_old = True
+ else:
+ node = get_content('ns:%s' % item[0], entry)
+ setattr(self, item[0], parse_entry_helper(node, item))
+
+ for item in LIST_OF_STATE_PARAMETERS:
+ node = get_content("ns:%s" % item[0], entry)
+ self._from_xml_helper(node=node,
+ list=getattr(self, item[1]))
+
+ # Recover _disp_obj_dict from xml file
+ self._disp_obj_dict = {}
+ for tagname, varname, tagtype in DISPERSION_LIST:
+ node = get_content("ns:%s" % tagname, entry)
+ for attr in node:
+ parameter = str(attr.get('name'))
+ value = attr.get('value')
+ if value.startswith("<"):
+ try:
+ # <path.to.NamedDistribution object/instance...>
+ cls_name = value[1:].split()[0].split('.')[-1]
+ cls = getattr(sasmodels.weights, cls_name)
+ value = cls.type
+ except Exception:
+ base = "unable to load distribution %r for %s"
+ logging.error(base % (value, parameter))
+ continue
+ _disp_obj_dict = getattr(self, varname)
+ _disp_obj_dict[parameter] = value
+
+ # get self.values and self.weights dic. if exists
+ for tagname, varname in LIST_OF_MODEL_ATTRIBUTES:
+ node = get_content("ns:%s" % tagname, entry)
+ dic = {}
+ value_list = []
+ for par in node:
+ name = par.get('name')
+ values = par.text.split()
+ # Get lines only with numbers
+ for line in values:
+ try:
+ val = float(line)
+ value_list.append(val)
+ except Exception:
+ # pass if line is empty (it happens)
+ msg = ("Error reading %r from %s %s\n"
+ % (line, tagname, name))
+ logging.error(msg + traceback.format_exc())
+ dic[name] = numpy.array(value_list)
+ setattr(self, varname, dic)
+
+ def set_plot_state(self, figs, canvases):
+ """
+ Build image state that wx.html understand
+ by plotting, putting it into wx.FileSystem image object
+
+ """
+ images = []
+
+ # Reset memory
+ self.imgRAM = None
+ wx.MemoryFSHandler()
+
+ # For no figures in the list, prepare empty plot
+ if figs is None or len(figs) == 0:
+ figs = [None]
+
+ # Loop over the list of figures
+ # use wx.MemoryFSHandler
+ self.imgRAM = wx.MemoryFSHandler()
+ for fig in figs:
+ if fig is not None:
+ ind = figs.index(fig)
+ canvas = canvases[ind]
+
+ # store the image in wx.FileSystem Object
+ wx.FileSystem.AddHandler(wx.MemoryFSHandler())
+
+ # index of the fig
+ ind = figs.index(fig)
+
+ # AddFile, image can be retrieved with 'memory:filename'
+ self.imgRAM.AddFile('img_fit%s.png' % ind,
+ canvas.bitmap, wx.BITMAP_TYPE_PNG)
+
+ # append figs
+ images.append(fig)
+
+ return images
+
+
+class Reader(CansasReader):
+ """
+ Class to load a .fitv fitting file
+ """
+ # File type
+ type_name = "Fitting"
+
+ # Wildcards
+ type = ["Fitting files (*.fitv)|*.fitv"
+ "SASView file (*.svs)|*.svs"]
+ # List of allowed extensions
+ ext = ['.fitv', '.FITV', '.svs', 'SVS']
+
+ def __init__(self, call_back=None, cansas=True):
+ CansasReader.__init__(self)
+ """
+ Initialize the call-back method to be called
+ after we load a file
+
+ :param call_back: call-back method
+ :param cansas: True = files will be written/read in CanSAS format
+ False = write CanSAS format
+
+ """
+ # Call back method to be executed after a file is read
+ self.call_back = call_back
+ # CanSAS format flag
+ self.cansas = cansas
+ self.state = None
+ # batch fitting params for saving
+ self.batchfit_params = []
+
+ def get_state(self):
+ return self.state
+
+ def read(self, path):
+ """
+ Load a new P(r) inversion state from file
+
+ :param path: file path
+
+ """
+ if self.cansas:
+ return self._read_cansas(path)
+
+ def _parse_state(self, entry):
+ """
+ Read a fit result from an XML node
+
+ :param entry: XML node to read from
+ :return: PageState object
+ """
+ # Create an empty state
+ state = None
+ # Locate the P(r) node
+ try:
+ nodes = entry.xpath('ns:%s' % FITTING_NODE_NAME,
+ namespaces={'ns': CANSAS_NS})
+ if nodes:
+ # Create an empty state
+ state = PageState()
+ state.from_xml(node=nodes[0])
+
+ except:
+ logging.info("XML document does not contain fitting information.\n"
+ + traceback.format_exc())
+
+ return state
+
+ def _parse_simfit_state(self, entry):
+ """
+ Parses the saved data for a simultaneous fit
+ :param entry: XML object to read from
+ :return: XML object for a simultaneous fit or None
+ """
+ nodes = entry.xpath('ns:%s' % FITTING_NODE_NAME,
+ namespaces={'ns': CANSAS_NS})
+ if nodes:
+ simfitstate = nodes[0].xpath('ns:simultaneous_fit',
+ namespaces={'ns': CANSAS_NS})
+ if simfitstate:
+ from simfitpage import SimFitPageState
+ sim_fit_state = SimFitPageState()
+ simfitstate_0 = simfitstate[0]
+ all = simfitstate_0.xpath('ns:select_all',
+ namespaces={'ns': CANSAS_NS})
+ atts = all[0].attrib
+ checked = atts.get('checked')
+ sim_fit_state.select_all = bool(checked)
+ model_list = simfitstate_0.xpath('ns:model_list',
+ namespaces={'ns': CANSAS_NS})
+ model_list_items = model_list[0].xpath('ns:model_list_item',
+ namespaces={'ns':
+ CANSAS_NS})
+ for model in model_list_items:
+ attrs = model.attrib
+ sim_fit_state.model_list.append(attrs)
+
+ constraints = simfitstate_0.xpath('ns:constraints',
+ namespaces={'ns': CANSAS_NS})
+ constraint_list = constraints[0].xpath('ns:constraint',
+ namespaces={'ns': CANSAS_NS})
+ for constraint in constraint_list:
+ attrs = constraint.attrib
+ sim_fit_state.constraints_list.append(attrs)
+
+ return sim_fit_state
+ else:
+ return None
+
+ def _parse_save_state_entry(self, dom):
+ """
+ Parse a SASentry
+
+ :param node: SASentry node
+
+ :return: Data1D/Data2D object
+
+ """
+ node = dom.xpath('ns:data_class', namespaces={'ns': CANSAS_NS})
+ return_value, _ = self._parse_entry(dom)
+ return return_value, _
+
+ def _read_cansas(self, path):
+ """
+ Load data and fitting information from a CanSAS XML file.
+
+ :param path: file path
+ :return: Data1D object if a single SASentry was found,
+ or a list of Data1D objects if multiple entries were found,
+ or None of nothing was found
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+ """
+ output = []
+ simfitstate = None
+ basename = os.path.basename(path)
+ root, extension = os.path.splitext(basename)
+ ext = extension.lower()
+ try:
+ if os.path.isfile(path):
+ if ext in self.ext or ext == '.xml':
+ tree = etree.parse(path, parser=etree.ETCompatXMLParser())
+ # Check the format version number
+ # Specifying the namespace will take care of the file
+ # format version
+ root = tree.getroot()
+ entry_list = root.xpath('ns:SASentry',
+ namespaces={'ns': CANSAS_NS})
+ for entry in entry_list:
+ try:
+ sas_entry, _ = self._parse_save_state_entry(entry)
+ except:
+ raise
+ fitstate = self._parse_state(entry)
+
+ # state could be None when .svs file is loaded
+ # in this case, skip appending to output
+ if fitstate is not None:
+ sas_entry.meta_data['fitstate'] = fitstate
+ sas_entry.filename = fitstate.file
+ output.append(sas_entry)
+
+ else:
+ self.call_back(format=ext)
+ raise RuntimeError, "%s is not a file" % path
+
+ # Return output consistent with the loader's api
+ if len(output) == 0:
+ self.call_back(state=None, datainfo=None, format=ext)
+ return None
+ else:
+ for ind in range(len(output)):
+ # Call back to post the new state
+ state = output[ind].meta_data['fitstate']
+ t = time.localtime(state.timestamp)
+ time_str = time.strftime("%b %d %H:%M", t)
+ # Check that no time stamp is already appended
+ max_char = state.file.find("[")
+ if max_char < 0:
+ max_char = len(state.file)
+ original_fname = state.file[0:max_char]
+ state.file = original_fname + ' [' + time_str + ']'
+
+ if state is not None and state.is_data is not None:
+ output[ind].is_data = state.is_data
+
+ output[ind].filename = state.file
+ state.data = output[ind]
+ state.data.name = output[ind].filename # state.data_name
+ state.data.id = state.data_id
+ if state.is_data is not None:
+ state.data.is_data = state.is_data
+ if output[ind].run_name is not None\
+ and len(output[ind].run_name) != 0:
+ if isinstance(output[ind].run_name, dict):
+ name = output[ind].run_name.keys()[0]
+ else:
+ name = output[ind].run_name
+ else:
+ name = original_fname
+ state.data.group_id = name
+ state.version = fitstate.version
+ # store state in fitting
+ self.call_back(state=state,
+ datainfo=output[ind], format=ext)
+ self.state = state
+ simfitstate = self._parse_simfit_state(entry)
+ if simfitstate is not None:
+ self.call_back(state=simfitstate)
+
+ return output
+ except:
+ self.call_back(format=ext)
+ raise
+
+ def write(self, filename, datainfo=None, fitstate=None):
+ """
+ Write the content of a Data1D as a CanSAS XML file only for standalone
+
+ :param filename: name of the file to write
+ :param datainfo: Data1D object
+ :param fitstate: PageState object
+
+ """
+ # Sanity check
+ if self.cansas:
+ # Add fitting information to the XML document
+ doc = self.write_toXML(datainfo, fitstate)
+ # Write the XML document
+ else:
+ doc = fitstate.to_xml(file=filename)
+
+ # Save the document no matter the type
+ fd = open(filename, 'w')
+ fd.write(doc.toprettyxml())
+ fd.close()
+
+ def write_toXML(self, datainfo=None, state=None, batchfit=None):
+ """
+ Write toXML, a helper for write(),
+ could be used by guimanager._on_save()
+
+ : return: xml doc
+ """
+
+ self.batchfit_params = batchfit
+ if state.data is None or not state.data.is_data:
+ return None
+ # make sure title and data run are filled.
+ if state.data.title is None or state.data.title == '':
+ state.data.title = state.data.name
+ if state.data.run_name is None or state.data.run_name == {}:
+ state.data.run = [str(state.data.name)]
+ state.data.run_name[0] = state.data.name
+
+ data = state.data
+ doc, sasentry = self._to_xml_doc(data)
+
+ if state is not None:
+ doc = state.to_xml(doc=doc, file=data.filename, entry_node=sasentry,
+ batch_fit_state=self.batchfit_params)
+
+ return doc
+
+# Simple html report templet
+HEADER = "<html>\n"
+HEADER += "<head>\n"
+HEADER += "<meta http-equiv=Content-Type content='text/html; "
+HEADER += "charset=windows-1252'> \n"
+HEADER += "<meta name=Generator >\n"
+HEADER += "</head>\n"
+HEADER += "<body lang=EN-US>\n"
+HEADER += "<div class=WordSection1>\n"
+HEADER += "<p class=MsoNormal><b><span ><center><font size='4' >"
+HEADER += "%s</font></center></span></center></b></p>"
+HEADER += "<p class=MsoNormal> </p>"
+PARA = "<p class=MsoNormal><font size='4' > %s \n"
+PARA += "</font></p>"
+CENTRE = "<p class=MsoNormal><center><font size='4' > %s \n"
+CENTRE += "</font></center></p>"
+FEET_1 = \
+"""
+<p class=MsoNormal> </p>
+<br>
+<p class=MsoNormal><b><span ><center> <font size='4' > Graph
+</font></span></center></b></p>
+<p class=MsoNormal> </p>
+<center>
+<br><font size='4' >Model Computation</font>
+<br><font size='4' >Data: "%s"</font><br>
+"""
+FEET_2 = \
+"""
+<img src="%s" >
+</img>
+"""
+FEET_3 = \
+"""
+</center>
+</div>
+</body>
+</html>
+"""
+ELINE = "<p class=MsoNormal> </p>"
diff --git a/src/sas/sasgui/perspectives/fitting/plugin_models/__init__.py b/src/sas/sasgui/perspectives/fitting/plugin_models/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/sas/sasgui/perspectives/fitting/report_dialog.py b/src/sas/sasgui/perspectives/fitting/report_dialog.py
new file mode 100644
index 0000000..e4378b4
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/report_dialog.py
@@ -0,0 +1,173 @@
+"""
+Dialog report panel to show and summarize the results of
+the fitting calculation.
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+import wx
+import os
+import wx.html as html
+
+from sas.sasgui.guiframe.report_dialog import BaseReportDialog
+
+class ReportDialog(BaseReportDialog):
+ """
+ The report dialog box.
+ """
+
+ def __init__(self, report_list, *args, **kwds):
+ """
+ Initialization. The parameters added to Dialog are:
+
+ :param report_list: list of html_str, text_str, image
+ from invariant_state
+ """
+ super(ReportDialog, self).__init__(report_list, *args, **kwds)
+
+ # title
+ self.SetTitle("Report: Fitting")
+
+ # number of images of plot
+ self.nimages = len(self.report_list[2])
+
+ if self.report_list[2] != None:
+ # put image path in the report string
+ if len(self.report_list[2]) == 1:
+ self.report_html = self.report_list[0] % \
+ "memory:img_fit0.png"
+ elif len(self.report_list[2]) == 2:
+ self.report_html = self.report_list[0] % \
+ ("memory:img_fit0.png",
+ "memory:img_fit1.png")
+ # allows up to three images
+ else:
+ self.report_html = self.report_list[0] % \
+ ("memory:img_fit0.png",
+ "memory:img_fit1.png",
+ "memory:img_fit2.png")
+ else:
+ self.report_html = self.report_list[0]
+ # layout
+ self._setup_layout()
+
+ def onSave(self, event=None):
+ """
+ Save
+ """
+ #todo: complete saving fig file and as a txt file
+ dlg = wx.FileDialog(self, "Choose a file",
+ wildcard=self.wild_card,
+ style=wx.SAVE | wx.OVERWRITE_PROMPT | wx.CHANGE_DIR)
+ dlg.SetFilterIndex(0) # Set .html files to be default
+
+ if dlg.ShowModal() != wx.ID_OK:
+ dlg.Destroy()
+ return
+
+ fName = dlg.GetPath()
+ ext_num = dlg.GetFilterIndex()
+
+ #set file extensions
+ img_ext = []
+ pic_fname = []
+ #PDF
+ if ext_num == (0 + 2 * self.index_offset):
+ # TODO: Sort this case out
+ ext = '.pdf'
+
+ fName = os.path.splitext(fName)[0] + ext
+ dlg.Destroy()
+ #pic (png) file path/name
+ for num in range(self.nimages):
+ im_ext = '_img%s.png' % num
+ #img_ext.append(im_ext)
+ pic_name = os.path.splitext(fName)[0] + im_ext
+ pic_fname.append(pic_name)
+ # save the image for use with pdf writer
+ self.report_list[2][num].savefig(pic_name)
+
+ #put the image path in html string
+ report_frame = self.report_list[0]
+ #put image name strings into the html file
+ #Note:The str for pic_fname shouldn't be removed.
+ if self.nimages == 1:
+ html = report_frame % str(pic_fname[0])
+ elif self.nimages == 2:
+ html = report_frame % (str(pic_fname[0]), str(pic_fname[1]))
+ elif self.nimages == 3:
+ html = report_frame % (str(pic_fname[0]), str(pic_fname[1]),
+ str(pic_fname[2]))
+
+ # make/open file in case of absence
+ f = open(fName, 'w')
+ f.close()
+ # write pdf as a pdf file
+ pdf = self.HTML2PDF(data=html, filename=fName)
+
+ #open pdf
+ if pdf:
+ try:
+ #Windows
+ os.startfile(str(fName))
+ except:
+ try:
+ #Mac
+ os.system("open %s" % fName)
+ except:
+ #DO not open
+ pass
+ #delete image file
+ for num in range(self.nimages):
+ os.remove(pic_fname[num])
+ return
+ #HTML + png(graph)
+ elif ext_num == (1 - self.index_offset):
+ ext = '.html'
+ for num in range(self.nimages):
+ img_ext.append('_img4html%s.png' % num)
+ report_frame = self.report_list[0]
+ #TEXT + pdf(graph)
+ elif ext_num == (2 - self.index_offset):
+ ext = '.txt'
+ # changing the image extension actually changes the image
+ # format on saving
+ for num in range(self.nimages):
+ img_ext.append('_img4txt%s.pdf' % num)
+ report = self.report_list[1]
+ else:
+ return
+
+ #file name
+ fName = os.path.splitext(fName)[0] + ext
+ dlg.Destroy()
+
+ #pic (png) file path/name
+ for num in range(self.nimages):
+ pic_name = os.path.splitext(fName)[0] + img_ext[num]
+ pic_fname.append(pic_name)
+ #put the image path in html string
+ if ext_num == (1 - self.index_offset):
+ if self.nimages == 1:
+ report = report_frame % os.path.basename(pic_fname[0])
+ elif self.nimages == 2:
+ report = report_frame % (os.path.basename(pic_fname[0]),
+ os.path.basename(pic_fname[1]))
+ elif self.nimages == 3:
+ report = report_frame % (os.path.basename(pic_fname[0]),
+ os.path.basename(pic_fname[1]),
+ os.path.basename(pic_fname[2]))
+ f = open(fName, 'w')
+ f.write(report)
+ f.close()
+ self.Update()
+ #save png file using pic_fname
+ for num in range(self.nimages):
+ self.report_list[2][num].savefig(pic_fname[num])
diff --git a/src/sas/sasgui/perspectives/fitting/resultpanel.py b/src/sas/sasgui/perspectives/fitting/resultpanel.py
new file mode 100644
index 0000000..b7c1524
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/resultpanel.py
@@ -0,0 +1,99 @@
+"""
+FitPanel class contains fields allowing to fit models and data
+
+:note: For Fit to be performed the user should check at least one parameter
+ on fit Panel window.
+
+"""
+import wx
+import wx.lib.newevent
+from wx.aui import AuiNotebook as Notebook
+
+import datetime
+
+from bumps.gui.convergence_view import ConvergenceView
+from bumps.gui.uncertainty_view import UncertaintyView, CorrelationView, TraceView
+from bumps.dream.stats import var_stats, format_vars
+
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.events import StatusEvent
+
+(PlotResultEvent, EVT_PLOT_RESULT) = wx.lib.newevent.NewEvent()
+
+
+class ResultPanel(Notebook, PanelBase):
+ """
+ FitPanel class contains fields allowing to fit models and data
+
+ :note: For Fit to be performed the user should check at least one parameter
+ on fit Panel window.
+
+ """
+ ## Internal name for the AUI manager
+ window_name = "Result panel"
+ ## Title to appear on top of the window
+ window_caption = "Result Panel"
+ CENTER_PANE = True
+
+ def __init__(self, parent, manager=None, *args, **kwargs):
+ """
+ """
+ style = ((wx.aui.AUI_NB_WINDOWLIST_BUTTON
+ | wx.aui.AUI_NB_DEFAULT_STYLE
+ | wx.CLIP_CHILDREN)
+ & ~wx.aui.AUI_NB_CLOSE_ON_ACTIVE_TAB)
+ Notebook.__init__(self, parent, wx.ID_ANY, style=style)
+ PanelBase.__init__(self, parent)
+ self.frame = parent
+ self.Bind(EVT_PLOT_RESULT, self.on_plot_results)
+ self.frame.Bind(wx.EVT_CLOSE, self.on_close)
+ self._manager = None
+
+ def on_close(self, event):
+ if event.CanVeto():
+ self.frame.Hide()
+ event.Veto()
+ else:
+ event.Skip()
+
+ def on_plot_results(self, event):
+ self.frame.Show(True)
+ result = event.result[0][0]
+ filename = result.data.sas_data.filename
+ current_time = datetime.datetime.now().strftime("%I:%M%p, %B %d, %Y")
+ self.parent.SetTitle(self.window_name + " - " + filename + " - " + current_time)
+ if hasattr(result, 'convergence'):
+ best, pop = result.convergence[:, 0], result.convergence[:, 1:]
+ self._get_view(ConvergenceView).update(best, pop)
+ else:
+ self._del_view(ConvergenceView)
+ if hasattr(result, 'uncertainty_state'):
+ stats = var_stats(result.uncertainty_state.draw())
+ msg = format_vars(stats)
+ self._get_view(CorrelationView).update(result.uncertainty_state)
+ self._get_view(UncertaintyView).update((result.uncertainty_state, stats))
+ self._get_view(TraceView).update(result.uncertainty_state)
+ # TODO: stats should be stored in result rather than computed in bumps UncertaintyView
+ wx.PostEvent(self.frame.parent,
+ StatusEvent(status=msg, info="info"))
+ else:
+ for view in (CorrelationView, UncertaintyView, TraceView):
+ self._del_view(view)
+
+ def get_frame(self):
+ return self.frame
+
+ def _get_view(self, view_class):
+ for idx in range(self.PageCount):
+ if self.GetPageText(idx) == view_class.title:
+ return self.GetPage(idx)
+ else:
+ panel = view_class(self)
+ self.AddPage(panel, panel.title)
+ return panel
+
+ def _del_view(self, view_class):
+ for idx in range(self.PageCount):
+ if self.GetPageText(idx) == view_class.title:
+ self.DeletePage(idx)
+
diff --git a/src/sas/sasgui/perspectives/fitting/simfitpage.py b/src/sas/sasgui/perspectives/fitting/simfitpage.py
new file mode 100644
index 0000000..ed4868a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/simfitpage.py
@@ -0,0 +1,1101 @@
+"""
+ Simultaneous fit page
+"""
+import sys
+from collections import namedtuple
+
+import wx
+import wx.lib.newevent
+from wx.lib.scrolledpanel import ScrolledPanel
+
+from sas.sasgui.guiframe.events import StatusEvent, PanelOnFocusEvent
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.utils import IdList
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+# Control panel width
+if sys.platform.count("darwin") == 0:
+ PANEL_WID = 420
+ FONT_VARIANT = 0
+else:
+ PANEL_WID = 490
+ FONT_VARIANT = 1
+
+
+# Each constraint requires five widgets and sizer. Package them in
+# a named tuple for easy access.
+ConstraintLine = namedtuple('ConstraintLine',
+ 'model_cbox param_cbox egal_txt constraint btRemove sizer')
+
+
+def get_fittableParam(model):
+ """
+ return list of fittable parameters from a model
+
+ :param model: the model used
+
+ """
+ fittable_param = []
+ for item in model.getParamList():
+ if not item in model.getDispParamList():
+ if not item in model.non_fittable:
+ fittable_param.append(item)
+
+ for item in model.fixed:
+ fittable_param.append(item)
+
+ return fittable_param
+
+
+class SimultaneousFitPage(ScrolledPanel, PanelBase):
+ """
+ Simultaneous fitting panel
+ All that needs to be defined are the
+ two data members window_name and window_caption
+ """
+ # Internal name for the AUI manager
+ window_name = "Simultaneous Fit Page"
+ # Title to appear on top of the window
+ window_caption = "Simultaneous Fit Page"
+ ID_DOC = wx.NewId()
+ ID_SET_ALL = wx.NewId()
+ ID_FIT = wx.NewId()
+ ID_ADD = wx.NewId()
+ _id_pool = IdList()
+
+ def __init__(self, parent, page_finder={}, id=wx.ID_ANY, batch_on=False,
+ *args, **kwargs):
+ ScrolledPanel.__init__(self, parent, id=id,
+ style=wx.FULL_REPAINT_ON_RESIZE,
+ *args, **kwargs)
+ PanelBase.__init__(self, parent)
+ """
+ Simultaneous page display
+ """
+ self._ids = iter(self._id_pool)
+ self.SetupScrolling()
+ # Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.uid = wx.NewId()
+ self.parent = parent
+ self.batch_on = batch_on
+ # store page_finder
+ self.page_finder = page_finder
+ # list containing info to set constraint
+ # look like self.constraint_dict[page_id]= page
+ self.constraint_dict = {}
+ # item list
+ # self.constraints_list=[combobox1, combobox2,=,textcrtl, button ]
+ self.constraints_list = []
+ # list of current model
+ self.model_list = []
+ # selected model to fit
+ self.model_to_fit = []
+ # Control the fit state
+ self.fit_started = False
+ # number of constraint
+ self.nb_constraint = 0
+ self.state = SimFitPageState()
+ self.model_cbox_left = None
+ self.model_cbox_right = None
+ # draw page
+ self.define_page_structure()
+ self.draw_page()
+ self._set_save_flag(False)
+
+ def define_page_structure(self):
+ """
+ Create empty sizers, their hierarchy and set the sizer for the panel
+ """
+ self.vbox = wx.BoxSizer(wx.VERTICAL)
+ self.data_selection_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.constraints_sizer = wx.BoxSizer(wx.VERTICAL)
+ self.run_fit_sizer = wx.BoxSizer(wx.VERTICAL)
+
+ self.data_selection_sizer.SetMinSize((PANEL_WID, -1))
+ self.constraints_sizer.SetMinSize((PANEL_WID, -1))
+ self.run_fit_sizer.SetMinSize((PANEL_WID, -1))
+ self.vbox.Add(self.data_selection_sizer)
+ self.vbox.Add(self.constraints_sizer)
+ self.vbox.Add(self.run_fit_sizer)
+ self.SetSizer(self.vbox)
+ self.Centre()
+
+ def set_state(self):
+ """
+ Define a set of state parameters for saving simultaneous fits.
+ """
+ self._set_constraint()
+ self.state.fit_page_no = self.uid
+ self.state.select_all = self.cb1.GetValue()
+ self.state.model_list = self.model_list
+ self.state.model_to_fit = self.model_to_fit
+ self.state.no_constraint = self.nb_constraint
+ self.state.constraint_dict = self.constraint_dict
+ self.state.constraints_list = self.constraints_list
+ return self.get_state()
+
+ def get_state(self):
+ """
+ Return the state of the current page
+ :return: self.state
+ """
+ return self.state
+
+ def draw_page(self):
+ """
+ Construct the Simultaneous/Constrained fit page. fills the first
+ region (sizer1) with the list of available fit page pairs of data
+ and models. Then fills sizer2 with the checkbox for adding
+ constraints, and finally fills sizer3 with the fit button and
+ instructions.
+ """
+
+ # create blank list of constraints
+ self.model_list = []
+ self.model_to_fit = []
+ self.constraints_list = []
+ self.constraint_dict = {}
+ self.nb_constraint = 0
+ self.model_cbox_left = None
+ self.model_cbox_right = None
+
+ if len(self.model_list) > 0:
+ for item in self.model_list:
+ item[0].SetValue(False)
+ self.manager.schedule_for_fit(value=0, uid=item[2])
+
+ #-------------------------------------------------------
+ # setup sizer1 (which fitpages to include)
+ self.data_selection_sizer.Clear(True)
+ box_description = wx.StaticBox(self, wx.ID_ANY, "Fit Combinations")
+ boxsizer1 = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ sizer_title = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_couples = wx.GridBagSizer(5, 5)
+
+ # The wx GUI has a flag to enable a menu item, but can still be
+ # reached via scripting. There is no guearantee future GUI
+ # implementations force this check, either.
+ # IMHO, this if statement should stay -- JRK 2016-OCT-05
+ if len(self.page_finder) == 0:
+ msg = " No fit combinations are found! \n\n"
+ msg += " Please load data and set up "
+ msg += "at least one fit panels first..."
+ sizer_title.Add(wx.StaticText(self, wx.ID_ANY, msg))
+ else:
+ # store model
+ self._store_model()
+
+ self.cb1 = wx.CheckBox(self, wx.ID_ANY, 'Select all')
+ self.cb1.SetValue(False)
+ wx.EVT_CHECKBOX(self, self.cb1.GetId(), self.check_all_model_name)
+
+ sizer_title.Add((10, 10), 0,
+ wx.TOP | wx.BOTTOM | wx.EXPAND | wx.ADJUST_MINSIZE, border=5)
+ sizer_title.Add(self.cb1, 0,
+ wx.TOP | wx.BOTTOM | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE,
+ border=5)
+
+ # draw list of model and data names
+ self._fill_sizer_model_list(sizer_couples)
+
+ boxsizer1.Add(sizer_title, flag=wx.TOP | wx.BOTTOM, border=5)
+ boxsizer1.Add(sizer_couples, 1, flag=wx.TOP | wx.BOTTOM, border=5)
+ self.data_selection_sizer.Add(boxsizer1, 1, wx.EXPAND | wx.ALL, 10)
+ # self.sizer1.Layout()
+
+ #--------------------------------------------------------
+ # set up the other 2 sizers: the constraints list and the
+ # buttons (fit, help etc) sizer at the bottom of the page.
+ # Note: the if statement should be removed along with the above
+ # if statement as soon as it can be properly tested.
+ # Nov. 22 2015 --PDB
+ # As above, this page can be accessed through other means than the
+ # base SasView GUI.
+ # Oct. 5, 2016 --JRK
+ if len(self.page_finder) > 0:
+ # draw the sizer containing constraint info
+ if not self.batch_on:
+ self._fill_sizer_constraint()
+ # draw fit button sizer
+ self._fill_sizer_fit()
+
+ def _fill_sizer_model_list(self, sizer):
+ """
+ Receive a dictionary containing information to display model name
+ """
+ ix = 0
+ iy = 0
+ sizer.Clear(True)
+
+ new_name = wx.StaticText(self, wx.ID_ANY, ' Model Title ',
+ style=wx.ALIGN_CENTER)
+ new_name.SetBackgroundColour('orange')
+ new_name.SetForegroundColour(wx.WHITE)
+ sizer.Add(new_name, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 2
+ model_type = wx.StaticText(self, wx.ID_ANY, ' Model ')
+ model_type.SetBackgroundColour('grey')
+ model_type.SetForegroundColour(wx.WHITE)
+ sizer.Add(model_type, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ data_used = wx.StaticText(self, wx.ID_ANY, ' Data ')
+ data_used.SetBackgroundColour('grey')
+ data_used.SetForegroundColour(wx.WHITE)
+ sizer.Add(data_used, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ tab_used = wx.StaticText(self, wx.ID_ANY, ' FitPage ')
+ tab_used.SetBackgroundColour('grey')
+ tab_used.SetForegroundColour(wx.WHITE)
+ sizer.Add(tab_used, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ for id, value in self.page_finder.iteritems():
+ if id not in self.parent.opened_pages:
+ continue
+
+ if self.batch_on != self.parent.get_page_by_id(id).batch_on:
+ continue
+
+ data_list = []
+ model_list = []
+ # get data name and model objetta
+ for fitproblem in value.get_fit_problem():
+
+ data = fitproblem.get_fit_data()
+ if not data.is_data:
+ continue
+ name = '-'
+ if data is not None and data.is_data:
+ name = str(data.name)
+ data_list.append(name)
+
+ model = fitproblem.get_model()
+ if model is None:
+ continue
+ model_list.append(model)
+
+ if len(model_list) == 0:
+ continue
+ # Draw sizer
+ ix = 0
+ iy += 1
+ model = model_list[0]
+ name = '_'
+ if model is not None:
+ name = str(model.name)
+ cb = wx.CheckBox(self, wx.ID_ANY, name)
+ cb.SetValue(False)
+ cb.Enable(model is not None and data.is_data)
+ sizer.Add(cb, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ wx.EVT_CHECKBOX(self, cb.GetId(), self.check_model_name)
+ ix += 2
+ model_type = wx.StaticText(self, wx.ID_ANY,
+ model.__class__.__name__)
+ sizer.Add(model_type, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if self.batch_on:
+ data_used = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ data_used.AppendItems(data_list)
+ data_used.SetSelection(0)
+ else:
+ data_used = wx.StaticText(self, wx.ID_ANY, data_list[0])
+
+ ix += 1
+ sizer.Add(data_used, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ caption = value.get_fit_tab_caption()
+ tab_caption_used = wx.StaticText(self, wx.ID_ANY, str(caption))
+ sizer.Add(tab_caption_used, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ self.model_list.append([cb, value, id, model])
+
+ iy += 1
+ sizer.Add((20, 20), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ def _fill_sizer_constraint(self):
+ """
+ Fill sizer containing constraint info
+ """
+ msg = "Select at least 1 model to add constraint "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+
+ self.constraints_sizer.Clear(True)
+ if self.batch_on:
+ if self.constraints_sizer.IsShown():
+ self.constraints_sizer.Show(False)
+ return
+ box_description = wx.StaticBox(self, wx.ID_ANY, "Fit Constraints")
+ box_sizer1 = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ sizer_title = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer_all_constraints = wx.BoxSizer(wx.HORIZONTAL)
+ self.sizer_constraints = wx.BoxSizer(wx.VERTICAL)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.hide_constraint = wx.RadioButton(self, wx.ID_ANY, 'No', (10, 10),
+ style=wx.RB_GROUP)
+ self.show_constraint = wx.RadioButton(self, wx.ID_ANY, 'Yes', (10, 30))
+ self.Bind(wx.EVT_RADIOBUTTON, self._display_constraint,
+ id=self.hide_constraint.GetId())
+ self.Bind(wx.EVT_RADIOBUTTON, self._display_constraint,
+ id=self.show_constraint.GetId())
+ if self.batch_on:
+ self.hide_constraint.Enable(False)
+ self.show_constraint.Enable(False)
+ self.hide_constraint.SetValue(True)
+ self.show_constraint.SetValue(False)
+
+ sizer_title.Add(wx.StaticText(self, wx.ID_ANY, " Model"))
+ sizer_title.Add((10, 10))
+ sizer_title.Add(wx.StaticText(self, wx.ID_ANY, " Parameter"))
+ sizer_title.Add((10, 10))
+ sizer_title.Add(wx.StaticText(self, wx.ID_ANY, " Add Constraint?"))
+ sizer_title.Add((10, 10))
+ sizer_title.Add(self.show_constraint)
+ sizer_title.Add(self.hide_constraint)
+ sizer_title.Add((10, 10))
+
+ self.btAdd = wx.Button(self, self.ID_ADD, 'Add')
+ self.btAdd.Bind(wx.EVT_BUTTON, self._on_add_constraint,
+ id=self.btAdd.GetId())
+ self.btAdd.SetToolTipString("Add another constraint?")
+ self.btAdd.Hide()
+
+ text_hint = wx.StaticText(self, wx.ID_ANY,
+ "Example: [M0][parameter] = M1.parameter")
+ sizer_button.Add(text_hint, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(self.btAdd, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+
+ box_sizer1.Add(sizer_title, flag=wx.TOP | wx.BOTTOM, border=10)
+ box_sizer1.Add(self.sizer_all_constraints, flag=wx.TOP | wx.BOTTOM,
+ border=10)
+ box_sizer1.Add(self.sizer_constraints, flag=wx.TOP | wx.BOTTOM,
+ border=10)
+ box_sizer1.Add(sizer_button, flag=wx.TOP | wx.BOTTOM, border=10)
+
+ self.constraints_sizer.Add(box_sizer1, 0, wx.EXPAND | wx.ALL, 10)
+
+ def _fill_sizer_fit(self):
+ """
+ Draw fit button
+ """
+ self.run_fit_sizer.Clear(True)
+ box_description = wx.StaticBox(self, wx.ID_ANY, "Fit ")
+ boxsizer1 = wx.StaticBoxSizer(box_description, wx.VERTICAL)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+
+ # Fit button
+ self.btFit = wx.Button(self, self.ID_FIT, 'Fit', size=wx.DefaultSize)
+ self.btFit.Bind(wx.EVT_BUTTON, self.on_fit, id=self.btFit.GetId())
+ self.btFit.SetToolTipString("Perform fit.")
+
+ # General Help button
+ self.btHelp = wx.Button(self, wx.ID_HELP, 'HELP')
+ self.btHelp.SetToolTipString("Simultaneous/Constrained Fitting help.")
+ self.btHelp.Bind(wx.EVT_BUTTON, self._on_help)
+
+ # hint text on button line
+ if self.batch_on:
+ text = " Fit in Parallel all Data sets\n"
+ text += "and model selected."
+ else:
+ text = " At least one set of model and data\n"
+ text += " must be selected for fitting."
+ text_hint = wx.StaticText(self, wx.ID_ANY, text)
+
+ sizer_button.Add(text_hint)
+ sizer_button.Add(self.btFit, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(self.btHelp, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
+
+ boxsizer1.Add(sizer_button, flag=wx.TOP | wx.BOTTOM, border=10)
+ self.run_fit_sizer.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10)
+
+ def on_remove(self, event):
+ """
+ Remove constraint fields
+ """
+ if len(self.constraints_list) == 1:
+ self.hide_constraint.SetValue(True)
+ self._hide_constraint()
+ return
+ if len(self.constraints_list) == 0:
+ return
+ wx.CallAfter(self._remove_after, event.GetId())
+ # self._onAdd_constraint(None)
+
+ def _remove_after(self, id):
+ for item in self.constraints_list:
+ if id == item.btRemove.GetId():
+ self.sizer_constraints.Hide(item.sizer)
+ item.sizer.Clear(True)
+ self.sizer_constraints.Remove(item.sizer)
+ self.constraints_list.remove(item)
+ self.nb_constraint -= 1
+ self.constraints_sizer.Layout()
+ self.FitInside()
+ break
+
+ def on_fit(self, event):
+ """
+ signal for fitting
+
+ """
+ if self.fit_started:
+ self._stop_fit()
+ self.fit_started = False
+ return
+
+ flag = False
+ # check if the current page a simultaneous fit page or a batch page
+ if self == self._manager.sim_page:
+ flag = (self._manager.sim_page.uid == self.uid)
+
+ # making sure all parameters content a constraint
+ if not self.batch_on and self.show_constraint.GetValue():
+ if not self._set_constraint():
+ return
+ # model was actually selected from this page to be fit
+ if len(self.model_to_fit) >= 1:
+ self.manager._reset_schedule_problem(value=0)
+ for item in self.model_list:
+ if item[0].GetValue():
+ self.manager.schedule_for_fit(value=1, uid=item[2])
+ try:
+ self.fit_started = True
+ wx.CallAfter(self.set_fitbutton)
+ if not self.manager.onFit(uid=self.uid):
+ return
+ except:
+ msg = "Select at least one parameter to fit in the FitPages."
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ else:
+ msg = "Select at least one model check box to fit "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ self.set_state()
+
+ def _on_fit_complete(self):
+ """
+ Set the completion flag and display the updated fit button label.
+ """
+ self.fit_started = False
+ self.set_fitbutton()
+
+ def _stop_fit(self, event=None):
+ """
+ Attempt to stop the fitting thread
+
+ :param event: Event handler when stop fit is clicked
+ """
+ if event is not None:
+ event.Skip()
+ self.manager.stop_fit(self.uid)
+ self.manager._reset_schedule_problem(value=0)
+ self._on_fit_complete()
+
+ def set_fitbutton(self):
+ """
+ Set fit button label depending on the fit_started
+ """
+ label = "Stop" if self.fit_started else "Fit"
+ color = "red" if self.fit_started else "black"
+
+ self.btFit.SetLabel(label)
+ self.btFit.SetForegroundColour(color)
+ self.btFit.Enable(True)
+
+ def _on_help(self, event):
+ """
+ Bring up the simultaneous Fitting Documentation whenever the HELP
+ button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ web browser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param event: Triggers on clicking the help button
+ """
+ _TreeLocation = "user/sasgui/perspectives/fitting/fitting_help.html"
+ _PageAnchor = "#simultaneous-fit-mode"
+ _doc_viewer = DocumentationWindow(self, self.ID_DOC, _TreeLocation,
+ _PageAnchor,
+ "Simultaneous/Constrained Fitting Help")
+
+ def set_manager(self, manager):
+ """
+ set panel manager
+
+ :param manager: instance of plugin fitting
+ """
+ self.manager = manager
+
+ def check_all_model_name(self, event=None):
+ """
+ check all models names
+ """
+ self.model_to_fit = []
+ if self.cb1.GetValue():
+ for item in self.model_list:
+ if item[0].IsEnabled():
+ item[0].SetValue(True)
+ self.model_to_fit.append(item)
+
+ # constraint info
+ self._store_model()
+ if not self.batch_on:
+ # display constraint fields
+ if (self.show_constraint.GetValue() and
+ len(self.constraints_list) == 0):
+ self._show_all_constraint()
+ self._show_constraint()
+ else:
+ for item in self.model_list:
+ item[0].SetValue(False)
+
+ if not self.batch_on:
+ # constraint info
+ self._hide_constraint()
+
+ self._update_easy_setup_cb()
+ self.FitInside()
+
+ def check_model_name(self, event):
+ """
+ Save information related to checkbox and their states
+ """
+ self.model_to_fit = []
+ for item in self.model_list:
+ if item[0].GetValue():
+ self.model_to_fit.append(item)
+ else:
+ if item in self.model_to_fit:
+ self.model_to_fit.remove(item)
+ self.cb1.SetValue(False)
+
+ # display constraint fields
+ if len(self.model_to_fit) >= 1:
+ self._store_model()
+ if not self.batch_on and self.show_constraint.GetValue() and\
+ len(self.constraints_list) == 0:
+ self._show_all_constraint()
+ self._show_constraint()
+
+ elif len(self.model_to_fit) < 1:
+ # constraint info
+ self._hide_constraint()
+
+ self._update_easy_setup_cb()
+ # set the value of the main check button
+ if len(self.model_list) == len(self.model_to_fit):
+ self.cb1.SetValue(True)
+ self.FitInside()
+ return
+ else:
+ self.cb1.SetValue(False)
+ self.FitInside()
+
+ def _update_easy_setup_cb(self):
+ """
+ Update easy setup combobox on selecting a model
+ """
+ if self.model_cbox_left is None or self.model_cbox_right is None:
+ return
+
+ models = [(item[3].name, item[3]) for item in self.model_to_fit]
+ setComboBoxItems(self.model_cbox_left, models)
+ setComboBoxItems(self.model_cbox_right, models)
+ for item in self.constraints_list:
+ setComboBoxItems(item[0], models)
+ if self.model_cbox_left.GetSelection() == wx.NOT_FOUND:
+ self.model_cbox_left.SetSelection(0)
+ self.constraints_sizer.Layout()
+
+ def _store_model(self):
+ """
+ Store selected model
+ """
+ if len(self.model_to_fit) < 1:
+ return
+ for item in self.model_to_fit:
+ model = item[3]
+ page_id = item[2]
+ self.constraint_dict[page_id] = model
+
+ def _display_constraint(self, event):
+ """
+ Show fields to add constraint
+ """
+ if len(self.model_to_fit) < 1:
+ msg = "Select at least 1 model to add constraint "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ # hide button
+ self._hide_constraint()
+ return
+ if self.show_constraint.GetValue():
+ self._show_all_constraint()
+ self._show_constraint()
+ self.FitInside()
+ return
+ else:
+ self._hide_constraint()
+ return
+
+ def _show_all_constraint(self):
+ """
+ Show constraint fields
+ """
+ box_description = wx.StaticBox(self, wx.ID_ANY, "Easy Setup ")
+ box_sizer = wx.StaticBoxSizer(box_description, wx.HORIZONTAL)
+ sizer_constraint = wx.BoxSizer(wx.HORIZONTAL)
+ self.model_cbox_left = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ self.model_cbox_left.Clear()
+ self.model_cbox_right = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ self.model_cbox_right.Clear()
+ wx.EVT_COMBOBOX(self.model_cbox_left, wx.ID_ANY, self._on_select_modelcb)
+ wx.EVT_COMBOBOX(self.model_cbox_right, wx.ID_ANY, self._on_select_modelcb)
+ egal_txt = wx.StaticText(self, wx.ID_ANY, " = ")
+ self.set_button = wx.Button(self, self.ID_SET_ALL, 'Set All')
+ self.set_button.Bind(wx.EVT_BUTTON, self._on_set_all_equal,
+ id=self.set_button.GetId())
+ set_tip = "Add constraints for all the adjustable parameters "
+ set_tip += "(checked in FitPages) if exist."
+ self.set_button.SetToolTipString(set_tip)
+ self.set_button.Disable()
+
+ for id, model in self.constraint_dict.iteritems():
+ # check if all parameters have been selected for constraint
+ # then do not allow add constraint on parameters
+ self.model_cbox_left.Append(str(model.name), model)
+ self.model_cbox_left.Select(0)
+ for id, model in self.constraint_dict.iteritems():
+ # check if all parameters have been selected for constraint
+ # then do not allow add constraint on parameters
+ self.model_cbox_right.Append(str(model.name), model)
+ box_sizer.Add(self.model_cbox_left,
+ flag=wx.RIGHT | wx.EXPAND, border=10)
+ # box_sizer.Add(wx.StaticText(self, wx.ID_ANY, ".parameters"),
+ # flag=wx.RIGHT | wx.EXPAND, border=5)
+ box_sizer.Add(egal_txt, flag=wx.RIGHT | wx.EXPAND, border=5)
+ box_sizer.Add(self.model_cbox_right,
+ flag=wx.RIGHT | wx.EXPAND, border=10)
+ # box_sizer.Add(wx.StaticText(self, wx.ID_ANY, ".parameters"),
+ # flag=wx.RIGHT | wx.EXPAND, border=5)
+ box_sizer.Add((20, -1))
+ box_sizer.Add(self.set_button, flag=wx.RIGHT | wx.EXPAND, border=5)
+ sizer_constraint.Add(box_sizer, flag=wx.RIGHT | wx.EXPAND, border=5)
+ self.sizer_all_constraints.Insert(before=0,
+ item=sizer_constraint,
+ flag=wx.TOP | wx.BOTTOM | wx.EXPAND, border=5)
+ self.FitInside()
+
+ def _on_select_modelcb(self, event):
+ """
+ On select model left or right combobox
+ """
+ event.Skip()
+ flag = True
+ if self.model_cbox_left.GetValue().strip() == '':
+ flag = False
+ if self.model_cbox_right.GetValue().strip() == '':
+ flag = False
+ if (self.model_cbox_left.GetValue() ==
+ self.model_cbox_right.GetValue()):
+ flag = False
+ self.set_button.Enable(flag)
+
+ def _on_set_all_equal(self, event):
+ """
+ On set button
+ """
+ event.Skip()
+ length = len(self.constraints_list)
+ if length < 1:
+ return
+ param_list = []
+ param_list_b = []
+ selection = self.model_cbox_left.GetCurrentSelection()
+ model_left = self.model_cbox_left.GetValue()
+ model = self.model_cbox_left.GetClientData(selection)
+ selection_b = self.model_cbox_right.GetCurrentSelection()
+ model_right = self.model_cbox_right.GetValue()
+ model_b = self.model_cbox_right.GetClientData(selection_b)
+ for id, dic_model in self.constraint_dict.iteritems():
+ if model == dic_model:
+ param_list = self.page_finder[id].get_param2fit()
+ if model_b == dic_model:
+ param_list_b = self.page_finder[id].get_param2fit()
+ if len(param_list) > 0 and len(param_list_b) > 0:
+ break
+ num_cbox = 0
+ has_param = False
+ for param in param_list:
+ num_cbox += 1
+ if param in param_list_b:
+ item = self.constraints_list[-1]
+ item.model_cbox.SetStringSelection(model_left)
+ self._on_select_model(None)
+ item.param_cbox.Clear()
+ item.param_cbox.Append(str(param), model)
+ item.param_cbox.SetStringSelection(str(param))
+ item.constraint.SetValue(str(model_right + "." + str(param)))
+ has_param = True
+ if num_cbox == (len(param_list) + 1):
+ break
+ self._show_constraint()
+
+ self.FitInside()
+ if not has_param:
+ msg = " There is no adjustable parameter (checked to fit)"
+ msg += " either one of the models."
+ wx.PostEvent(self.parent.parent, StatusEvent(info="warning",
+ status=msg))
+ else:
+ msg = " The constraints are added."
+ wx.PostEvent(self.parent.parent, StatusEvent(info="info",
+ status=msg))
+
+ def _show_constraint(self):
+ """
+ Show constraint fields
+ :param dict: dictionary mapping constraint values
+ """
+ self.btAdd.Show(True)
+ if len(self.constraints_list) != 0:
+ nb_fit_param = 0
+ for id, model in self.constraint_dict.iteritems():
+ nb_fit_param += len(self.page_finder[id].get_param2fit())
+ # Don't add anymore
+ if len(self.constraints_list) == nb_fit_param:
+ msg = "Cannot add another constraint. Maximum of number "
+ msg += "Parameters name reached %s" % str(nb_fit_param)
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ self.sizer_constraints.Layout()
+ self.constraints_sizer.Layout()
+ return
+ if len(self.model_to_fit) < 1:
+ msg = "Select at least 1 model to add constraint "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ self.sizer_constraints.Layout()
+ self.constraints_sizer.Layout()
+ return
+
+ sizer_constraint = wx.BoxSizer(wx.HORIZONTAL)
+
+ # Model list
+ model_cbox = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY)
+ model_cbox.Clear()
+ for id, model in self.constraint_dict.iteritems():
+ # check if all parameters have been selected for constraint
+ # then do not allow add constraint on parameters
+ model_cbox.Append(str(model.name), model)
+ wx.EVT_COMBOBOX(model_cbox, wx.ID_ANY, self._on_select_model)
+
+ # Parameters in model
+ param_cbox = wx.ComboBox(self, wx.ID_ANY, style=wx.CB_READONLY,
+ size=(100, -1))
+ param_cbox.Hide()
+ wx.EVT_COMBOBOX(param_cbox, wx.ID_ANY, self._on_select_param)
+
+ egal_txt = wx.StaticText(self, wx.ID_ANY, " = ")
+
+ # Parameter constraint
+ constraint = wx.TextCtrl(self, wx.ID_ANY)
+
+ # Remove button
+ #btRemove = wx.Button(self, self.ID_REMOVE, 'Remove')
+ bt_remove = wx.Button(self, self._ids.next(), 'Remove')
+ bt_remove.Bind(wx.EVT_BUTTON, self.on_remove,
+ id=bt_remove.GetId())
+ bt_remove.SetToolTipString("Remove constraint.")
+ bt_remove.Hide()
+
+ # Hid the add button, if it exists
+ if hasattr(self, "btAdd"):
+ self.btAdd.Hide()
+
+ sizer_constraint.Add((5, -1))
+ sizer_constraint.Add(model_cbox, flag=wx.RIGHT | wx.EXPAND, border=10)
+ sizer_constraint.Add(param_cbox, flag=wx.RIGHT | wx.EXPAND, border=5)
+ sizer_constraint.Add(egal_txt, flag=wx.RIGHT | wx.EXPAND, border=5)
+ sizer_constraint.Add(constraint, flag=wx.RIGHT | wx.EXPAND, border=10)
+ sizer_constraint.Add(bt_remove, flag=wx.RIGHT | wx.EXPAND, border=10)
+
+ self.sizer_constraints.Insert(before=self.nb_constraint,
+ item=sizer_constraint, flag=wx.TOP | wx.BOTTOM | wx.EXPAND,
+ border=5)
+ c = ConstraintLine(model_cbox, param_cbox, egal_txt,
+ constraint, bt_remove, sizer_constraint)
+ self.constraints_list.append(c)
+
+ self.nb_constraint += 1
+ self.sizer_constraints.Layout()
+ self.constraints_sizer.Layout()
+ self.Layout()
+
+ def _hide_constraint(self):
+ """
+ hide buttons related constraint
+ """
+ for id in self.page_finder.iterkeys():
+ self.page_finder[id].clear_model_param()
+
+ self.nb_constraint = 0
+ self.constraint_dict = {}
+ if hasattr(self, "btAdd"):
+ self.btAdd.Hide()
+ self._store_model()
+ if self.model_cbox_left is not None:
+ self.model_cbox_left.Clear()
+ self.model_cbox_left = None
+ if self.model_cbox_right is not None:
+ self.model_cbox_right.Clear()
+ self.model_cbox_right = None
+ self.constraints_list = []
+ self.sizer_all_constraints.Clear(True)
+ self.sizer_all_constraints.Layout()
+ self.sizer_constraints.Clear(True)
+ self.sizer_constraints.Layout()
+ self.constraints_sizer.Layout()
+ self.Layout()
+ self.FitInside()
+
+ def _on_select_model(self, event):
+ """
+ fill combo box with list of parameters
+ """
+ if not self.constraints_list:
+ return
+
+ # This way PC/MAC both work, instead of using event.GetClientData().
+ model_cbox = self.constraints_list[-1].model_cbox
+ n = model_cbox.GetCurrentSelection()
+ if n == wx.NOT_FOUND:
+ return
+
+ model = model_cbox.GetClientData(n)
+ param_list = []
+ for id, dic_model in self.constraint_dict.iteritems():
+ if model == dic_model:
+ param_list = self.page_finder[id].get_param2fit()
+ break
+
+ param_cbox = self.constraints_list[-1].param_cbox
+ param_cbox.Clear()
+ # insert only fittable paramaters
+ for param in param_list:
+ param_cbox.Append(str(param), model)
+ param_cbox.Show(True)
+
+ bt_remove = self.constraints_list[-1].btRemove
+ bt_remove.Show(True)
+ self.btAdd.Show(True)
+# self.Layout()
+ self.FitInside()
+
+ def _on_select_param(self, event):
+ """
+ Store the appropriate constraint in the page_finder
+ """
+ # This way PC/MAC both work, instead of using event.GetClientData().
+ # n = self.param_cbox.GetCurrentSelection()
+ # model = self.param_cbox.GetClientData(n)
+ # param = event.GetString()
+
+ if self.constraints_list:
+ self.constraints_list[-1].egal_txt.Show(True)
+ self.constraints_list[-1].constraint.Show(True)
+
+ def _on_add_constraint(self, event):
+ """
+ Add another line for constraint
+ """
+ if not self.show_constraint.GetValue():
+ msg = " Select Yes to add Constraint "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ return
+ # check that a constraint is added
+ # before allow to add another constraint
+ for item in self.constraints_list:
+ if item.model_cbox.GetString(0) == "":
+ msg = " Select a model Name! "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ return
+ if item.param_cbox.GetString(0) == "":
+ msg = " Select a parameter Name! "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ return
+ if item.constraint.GetValue().lstrip().rstrip() == "":
+ model = item.param_cbox.GetClientData(
+ item.param_cbox.GetCurrentSelection())
+ if model is not None:
+ msg = " Enter a constraint for %s.%s! " % (model.name,
+ item.param_cbox.GetString(0))
+ else:
+ msg = " Enter a constraint"
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ return
+ # some model or parameters can be constrained
+ self._show_constraint()
+ self.FitInside()
+
+ def _set_constraint(self):
+ """
+ get values from the constraint textcrtl ,parses them into model name
+ parameter name and parameters values.
+ store them in a list self.params .when when params is not empty
+ set_model uses it to reset the appropriate model
+ and its appropriates parameters
+ """
+ for item in self.constraints_list:
+ select0 = item.model_cbox.GetSelection()
+ if select0 == wx.NOT_FOUND:
+ continue
+ model = item.model_cbox.GetClientData(select0)
+ select1 = item.param_cbox.GetSelection()
+ if select1 == wx.NOT_FOUND:
+ continue
+ param = item.param_cbox.GetString(select1)
+ constraint = item.constraint.GetValue().lstrip().rstrip()
+ if param.lstrip().rstrip() == "":
+ param = None
+ msg = " Constraint will be ignored!. missing parameters"
+ msg += " in combobox to set constraint! "
+ wx.PostEvent(self.parent.parent, StatusEvent(status=msg))
+ for id, value in self.constraint_dict.iteritems():
+ if model == value:
+ if constraint == "":
+ msg = " Constraint will be ignored!. missing value"
+ msg += " in textcrtl to set constraint! "
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(status=msg))
+ constraint = None
+ if str(param) in self.page_finder[id].get_param2fit():
+ msg = " Checking constraint for parameter: %s ", param
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(info="info", status=msg))
+ else:
+ model_name = item[0].GetLabel()
+ fitpage = self.page_finder[id].get_fit_tab_caption()
+ msg = "All constrainted parameters must be set "
+ msg += " adjustable: '%s.%s' " % (model_name, param)
+ msg += "is NOT checked in '%s'. " % fitpage
+ msg += " Please check it to fit or"
+ msg += " remove the line of the constraint."
+ wx.PostEvent(self.parent.parent,
+ StatusEvent(info="error", status=msg))
+ return False
+
+ for fid in self.page_finder[id].iterkeys():
+ # wrap in param/constraint in str() to remove unicode
+ self.page_finder[id].set_model_param(str(param),
+ str(constraint), fid=fid)
+ break
+ return True
+
+ def on_set_focus(self, event=None):
+ """
+ The derivative class is on focus if implemented
+ """
+ if self.parent is not None:
+ if self.parent.parent is not None:
+ wx.PostEvent(self.parent.parent, PanelOnFocusEvent(panel=self))
+ self.page_finder = self.parent._manager.get_page_finder()
+
+
+def setComboBoxItems(cbox, items):
+ assert isinstance(cbox, wx.ComboBox)
+ selected = cbox.GetStringSelection()
+ cbox.Clear()
+ for k, (name, value) in enumerate(items):
+ cbox.Append(name, value)
+ cbox.SetStringSelection(selected)
+
+
+class SimFitPageState:
+ """
+ State of the simultaneous fit page for saving purposes
+ """
+
+ def __init__(self):
+ # Sim Fit Page Number
+ self.fit_page_no = None
+ # Select all data
+ self.select_all = False
+ # Data sets sent to fit page
+ self.model_list = []
+ # Data sets to be fit
+ self.model_to_fit = []
+ # Number of constraints
+ self.no_constraint = 0
+ # Dictionary of constraints
+ self.constraint_dict = {}
+ # List of constraints
+ self.constraints_list = []
+
+ def load_from_save_state(self, fit):
+ """
+ Load in a simultaneous/constrained fit from a save state
+ :param fit: Fitpanel object
+ :return: None
+ """
+
+ model_map = {}
+ if fit.fit_panel.sim_page is None:
+ fit.fit_panel.add_sim_page()
+ sim_page = fit.fit_panel.sim_page
+
+ # Process each model and associate old M# with new M#
+ i = 0
+ for model in sim_page.model_list:
+ model_id = self._format_id(model[1].keys()[0])
+ for saved_model in self.model_list:
+ save_id = saved_model.pop('name')
+ saved_model['name'] = save_id
+ save_id = self._format_id(save_id)
+ if save_id == model_id:
+ model_map[saved_model.pop('fit_page_source')] = \
+ model[3].name
+ check = bool(saved_model.pop('checked'))
+ sim_page.model_list[i][0].SetValue(check)
+ break
+ i += 1
+ sim_page.check_model_name(None)
+
+ if len(self.constraints_list) > 0:
+ sim_page.hide_constraint.SetValue(False)
+ sim_page.show_constraint.SetValue(True)
+ sim_page._display_constraint(None)
+
+ for index, item in enumerate(self.constraints_list):
+ model_cbox = item.pop('model_cbox')
+ if model_cbox != "":
+ constraint_value = item.pop('constraint')
+ param = item.pop('param_cbox')
+ equality = item.pop('egal_txt')
+ for key, value in model_map.iteritems():
+ model_cbox.replace(key, value)
+ constraint_value.replace(key, value)
+
+ sim_page.constraints_list[index][0].SetValue(model_cbox)
+ sim_page._on_select_model(None)
+ sim_page.constraints_list[index][1].SetValue(param)
+ sim_page.constraints_list[index][2].SetLabel(equality)
+ sim_page.constraints_list[index][3].SetValue(constraint_value)
+ sim_page._on_add_constraint(None)
+ sim_page._manager.sim_page = sim_page
+
+ def _format_id(self, original_id):
+ original_id = original_id.rstrip('1234567890.')
+ new_id_list = original_id.split()
+ new_id = ' '.join(new_id_list)
+ return new_id
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/fitting/utils.py b/src/sas/sasgui/perspectives/fitting/utils.py
new file mode 100644
index 0000000..30100c9
--- /dev/null
+++ b/src/sas/sasgui/perspectives/fitting/utils.py
@@ -0,0 +1,28 @@
+"""
+Module contains functions frequently used in this package
+"""
+import numpy
+
+
+def get_weight(data, is2d, flag=None):
+ """
+ Received flag and compute error on data.
+ :param flag: flag to transform error of data.
+ :param is2d: flag to distinguish 1D to 2D Data
+ """
+ weight = None
+ if is2d:
+ dy_data = data.err_data
+ data = data.data
+ else:
+ dy_data = data.dy
+ data = data.y
+ if flag == 0:
+ weight = numpy.ones_like(data)
+ elif flag == 1:
+ weight = dy_data
+ elif flag == 2:
+ weight = numpy.sqrt(numpy.abs(data))
+ elif flag == 3:
+ weight = numpy.abs(data)
+ return weight
diff --git a/src/sas/sasgui/perspectives/invariant/__init__.py b/src/sas/sasgui/perspectives/invariant/__init__.py
new file mode 100644
index 0000000..44b48f8
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/__init__.py
@@ -0,0 +1,45 @@
+PLUGIN_ID = "Invariant plug-in 1.0"
+import os
+
+from distutils.filelist import findall
+from invariant import *
+
+def get_data_path(media):
+ """
+ """
+ # Check for data path in the package
+ path = os.path.join(os.path.dirname(__file__), media)
+ if os.path.isdir(path):
+ return path
+
+ # Check for data path next to exe/zip file.
+ # If we are inside a py2exe zip file, we need to go up
+ # to get to the directory containing
+ # the media for this module
+ path = os.path.dirname(__file__)
+ #Look for maximum n_dir up of the current dir to find media
+ n_dir = 12
+ for i in range(n_dir):
+ path, _ = os.path.split(path)
+ media_path = os.path.join(path, media)
+ if os.path.isdir(media_path):
+ module_media_path = os.path.join(media_path, 'invariant_media')
+ if os.path.isdir(module_media_path):
+ return module_media_path
+ return media_path
+
+ raise RuntimeError('Could not find invariant media files')
+
+def data_files():
+ """
+ Return the data files associated with media invariant.
+
+ The format is a list of (directory, [files...]) pairs which can be
+ used directly in setup(...,data_files=...) for setup.py.
+
+ """
+ data_files = []
+ path = get_data_path(media="media")
+ for f in findall(path):
+ data_files.append(('media/invariant_media', [f]))
+ return data_files
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/invariant/invariant.py b/src/sas/sasgui/perspectives/invariant/invariant.py
new file mode 100644
index 0000000..5b668fc
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/invariant.py
@@ -0,0 +1,357 @@
+
+
+
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txt
+#
+# copyright 2009, University of Tennessee
+################################################################################
+
+
+import sys
+import wx
+import copy
+import logging
+from sas.sasgui.guiframe.gui_manager import MDIFrame
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.perspectives.invariant.invariant_state import Reader as reader
+from sas.sascalc.dataloader.loader import Loader
+from sas.sasgui.perspectives.invariant.invariant_panel import InvariantPanel
+from sas.sasgui.guiframe.plugin_base import PluginBase
+
+class Plugin(PluginBase):
+ """
+ This class defines the interface for invariant Plugin class
+ that can be used by the gui_manager.
+ """
+
+ def __init__(self):
+ PluginBase.__init__(self, name="Invariant")
+
+ # dictionary containing data name and error on dy of that data
+ self.err_dy = {}
+
+ # default state objects
+ self.state_reader = None
+ self._extensions = '.inv'
+ self.temp_state = None
+ self.__data = None
+
+ # Log startup
+ logging.info("Invariant plug-in started")
+
+ def get_data(self):
+ """
+ """
+ return self.__data
+
+ def get_panels(self, parent):
+ """
+ Create and return the list of wx.Panels for your plug-in.
+ Define the plug-in perspective.
+
+ Panels should inherit from DefaultPanel defined below,
+ or should present the same interface. They must define
+ "window_caption" and "window_name".
+
+ :param parent: parent window
+
+ :return: list of panels
+ """
+ # # Save a reference to the parent
+ self.parent = parent
+ self.frame = MDIFrame(self.parent, None, 'None', (100, 200))
+ self.invariant_panel = InvariantPanel(parent=self.frame)
+ self.frame.set_panel(self.invariant_panel)
+ self._frame_set_helper()
+ self.invariant_panel.set_manager(manager=self)
+ self.perspective.append(self.invariant_panel.window_name)
+ # Create reader when fitting panel are created
+ self.state_reader = reader(self.set_state)
+ # append that reader to list of available reader
+ loader = Loader()
+ loader.associate_file_reader(".inv", self.state_reader)
+ # loader.associate_file_reader(".svs", self.state_reader)
+ # Return the list of panels
+ return [self.invariant_panel]
+
+ def get_context_menu(self, plotpanel=None):
+ """
+ This method is optional.
+
+ When the context menu of a plot is rendered, the
+ get_context_menu method will be called to give you a
+ chance to add a menu item to the context menu.
+
+ A ref to a Graph object is passed so that you can
+ investigate the plot content and decide whether you
+ need to add items to the context menu.
+
+ This method returns a list of menu items.
+ Each item is itself a list defining the text to
+ appear in the menu, a tool-tip help text, and a
+ call-back method.
+
+ :param graph: the Graph object to which we attach the context menu
+
+ :return: a list of menu items with call-back function
+ """
+ graph = plotpanel.graph
+ invariant_option = "Compute invariant"
+ invariant_hint = "Will displays the invariant panel for"
+ invariant_hint += " further computation"
+
+ if graph.selected_plottable not in plotpanel.plots:
+ return []
+ data = plotpanel.plots[graph.selected_plottable]
+
+ if issubclass(data.__class__, Data1D):
+ if data.name != "$I_{obs}(q)$" and data.name != " $P_{fit}(r)$":
+ return [[invariant_option, invariant_hint, self._compute_invariant]]
+ return []
+
+ def _compute_invariant(self, event):
+ """
+ Open the invariant panel to invariant computation
+ """
+ self.panel = event.GetEventObject()
+ Plugin.on_perspective(self, event=event)
+ id = self.panel.graph.selected_plottable
+ data = self.panel.plots[self.panel.graph.selected_plottable]
+ if data is None:
+ return
+ if not issubclass(data.__class__, Data1D):
+ name = data.__class__.__name__
+ msg = "Invariant use only Data1D got: [%s] " % str(name)
+ raise ValueError, msg
+ self.compute_helper(data=data)
+
+ def set_data(self, data_list=None):
+ """
+ receive a list of data and compute invariant
+ """
+ msg = ""
+ data = None
+ if data_list is None:
+ data_list = []
+ if len(data_list) >= 1:
+ if len(data_list) == 1:
+ data = data_list[0]
+ else:
+ data_1d_list = []
+ data_2d_list = []
+ error_msg = ""
+ # separate data into data1d and data2d list
+ for data in data_list:
+ if data is not None:
+ if issubclass(data.__class__, Data1D):
+ data_1d_list.append(data)
+ else:
+ error_msg += " %s type %s \n" % (str(data.name),
+ str(data.__class__.__name__))
+ data_2d_list.append(data)
+ if len(data_2d_list) > 0:
+ msg = "Invariant does not support the following data types:\n"
+ msg += error_msg
+ if len(data_1d_list) == 0:
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+ return
+ msg += "Invariant panel does not allow multiple data!\n"
+ msg += "Please select one.\n"
+ if len(data_list) > 1:
+ from invariant_widgets import DataDialog
+ dlg = DataDialog(data_list=data_1d_list, text=msg)
+ if dlg.ShowModal() == wx.ID_OK:
+ data = dlg.get_data()
+ else:
+ data = None
+ dlg.Destroy()
+
+ if data is None:
+ msg += "invariant receives no data. \n"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+ return
+ if not issubclass(data.__class__, Data1D):
+ msg += "invariant cannot be computed for data of "
+ msg += "type %s\n" % (data.__class__.__name__)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+ return
+ else:
+ wx.PostEvent(self.parent, NewPlotEvent(plot=data, title=data.title))
+ try:
+ self.compute_helper(data)
+ except:
+ msg = "Invariant Set_data: " + str(sys.exc_value)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
+ else:
+ msg = "invariant cannot be computed for data of "
+ msg += "type %s" % (data.__class__.__name__)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+
+ def delete_data(self, data_id):
+ """
+ """
+ if self.__data is None:
+ return
+ for id in data_id:
+ if id == self.__data.id:
+ self.clear_panel()
+
+ def clear_panel(self):
+ """
+ """
+ self.invariant_panel.clear_panel()
+
+ def compute_helper(self, data):
+ """
+ """
+ if data is None:
+ return
+ # set current data if not it's a state data
+ if not self.invariant_panel.is_state_data:
+ # Store reference to data
+ self.__data = data
+ # Set the data set to be user for invariant calculation
+ self.invariant_panel.set_data(data=data)
+
+ def save_file(self, filepath, state=None):
+ """
+ Save data in provided state object.
+
+ :param filepath: path of file to write to
+ :param state: invariant state
+ """
+ # Write the state to file
+ # First, check that the data is of the right type
+ current_plottable = self.__data
+
+ if issubclass(current_plottable.__class__, Data1D):
+ self.state_reader.write(filepath, current_plottable, state)
+ else:
+ msg = "invariant.save_file: the data being saved is"
+ msg += " not a sas.sascalc.dataloader.data_info.Data1D object"
+ raise RuntimeError, msg
+
+ def set_state(self, state=None, datainfo=None):
+ """
+ Call-back method for the state reader.
+ This method is called when a .inv/.svs file is loaded.
+
+ :param state: State object
+ """
+ self.temp_state = None
+ try:
+ if datainfo.__class__.__name__ == 'list':
+ data = datainfo[0]
+ else:
+ data = datainfo
+ if data is None:
+ msg = "invariant.set_state: datainfo parameter cannot"
+ msg += " be None in standalone mode"
+ raise RuntimeError, msg
+ # Make sure the user sees the invariant panel after loading
+ # self.parent.set_perspective(self.perspective)
+ self.on_perspective(event=None)
+ name = data.meta_data['invstate'].file
+ data.meta_data['invstate'].file = name
+ data.name = name
+ data.filename = name
+
+ data = self.parent.create_gui_data(data, None)
+ self.__data = data
+ wx.PostEvent(self.parent, NewPlotEvent(plot=self.__data,
+ reset=True, title=self.__data.title))
+ data_dict = {self.__data.id:self.__data}
+ self.parent.add_data(data_list=data_dict)
+ # set state
+ self.invariant_panel.is_state_data = True
+
+ # Load the invariant states
+ self.temp_state = state
+ # Requires to have self.__data and self.temp_state first.
+ self.on_set_state_helper(None)
+
+ except:
+ logging.error("invariant.set_state: %s" % sys.exc_value)
+
+ def on_set_state_helper(self, event=None):
+ """
+ Set the state when called by EVT_STATE_UPDATE event from guiframe
+ after a .inv/.svs file is loaded
+ """
+ self.invariant_panel.set_state(state=self.temp_state,
+ data=self.__data)
+ self.temp_state = None
+
+
+ def plot_theory(self, data=None, name=None):
+ """
+ Receive a data set and post a NewPlotEvent to parent.
+
+ :param data: extrapolated data to be plotted
+ :param name: Data's name to use for the legend
+ """
+ # import copy
+ if data is None:
+ id = str(self.__data.id) + name
+ group_id = self.__data.group_id
+ wx.PostEvent(self.parent, NewPlotEvent(id=id, group_id=group_id, action='Remove'))
+ return
+
+ new_plot = Data1D(x=[], y=[], dy=None)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ scale = self.invariant_panel.get_scale()
+ background = self.invariant_panel.get_background()
+
+ if scale != 0:
+ # Put back the sacle and bkg for plotting
+ data.y = (data.y + background) / scale
+ new_plot = Data1D(x=data.x, y=data.y, dy=None)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ else:
+ msg = "Scale can not be zero."
+ raise ValueError, msg
+ if len(new_plot.x) == 0:
+ return
+
+ new_plot.name = name
+ new_plot.xaxis(self.__data._xaxis, self.__data._xunit)
+ new_plot.yaxis(self.__data._yaxis, self.__data._yunit)
+ new_plot.group_id = self.__data.group_id
+ new_plot.id = str(self.__data.id) + name
+ new_plot.title = self.__data.title
+ # Save theory_data in a state
+ if data != None:
+ name_head = name.split('-')
+ if name_head[0] == 'Low':
+ self.invariant_panel.state.theory_lowQ = copy.deepcopy(new_plot)
+ elif name_head[0] == 'High':
+ self.invariant_panel.state.theory_highQ = copy.deepcopy(new_plot)
+
+ self.parent.update_theory(data_id=self.__data.id, theory=new_plot)
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
+ title=self.__data.title))
+
+ def plot_data(self, scale, background):
+ """
+ replot the current data if the user enters a new scale or background
+ """
+ new_plot = scale * self.__data - background
+ new_plot.name = self.__data.name
+ new_plot.group_id = self.__data.group_id
+ new_plot.id = self.__data.id
+ new_plot.title = self.__data.title
+
+ # Save data in a state: but seems to never happen
+ if new_plot != None:
+ self.invariant_panel.state.data = copy.deepcopy(new_plot)
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
+ title=new_plot.title))
+
diff --git a/src/sas/sasgui/perspectives/invariant/invariant_details.py b/src/sas/sasgui/perspectives/invariant/invariant_details.py
new file mode 100644
index 0000000..dc413b3
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/invariant_details.py
@@ -0,0 +1,542 @@
+"""
+ Invariant panel
+"""
+import wx
+import sys
+
+from sas.sasgui.guiframe.utils import format_number
+from invariant_widgets import OutputTextCtrl
+# Dimensions related to chart
+RECTANGLE_WIDTH = 400.0
+RECTANGLE_HEIGHT = 20
+# Invariant panel size
+_BOX_WIDTH = 76
+
+# scale to use for a bar of value zero
+RECTANGLE_SCALE = 0.0001
+DEFAULT_QSTAR = 1.0
+
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 480
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 430
+ FONT_VARIANT = 1
+
+ERROR_COLOR = wx.Colour(255, 0, 0, 128)
+EXTRAPOLATION_COLOR = wx.Colour(169, 169, 168, 128)
+INVARIANT_COLOR = wx.Colour(67, 208, 128, 128)
+
+
+class InvariantContainer(wx.Object):
+ """
+ This class stores some values resulting resulting from invariant
+ calculations. Given the value of total invariant, this class can also
+ determine the percentage of invariants resulting from extrapolation.
+ """
+ def __init__(self):
+ # invariant at low range
+ self.qstar_low = None
+ # invariant at low range error
+ self.qstar_low_err = None
+ # invariant
+ self.qstar = None
+ # invariant error
+ self.qstar_err = None
+ # invariant at high range
+ self.qstar_high = None
+ # invariant at high range error
+ self.qstar_high_err = None
+ # invariant total
+ self.qstar_total = None
+ # invariant error
+ self.qstar_total_err = None
+ # scale
+ self.qstar_low_percent = None
+ self.qstar_high_percent = None
+ self.qstar_percent = None
+ # warning message
+ self.existing_warning = False
+ self.warning_msg = "No Details on calculations available...\n"
+
+ def compute_percentage(self):
+ """
+ Compute percentage of each invariant
+ """
+ if self.qstar_total is None:
+ self.qstar_percent = None
+ self.qstar_low = None
+ self.qstar_high = None
+ self.check_values()
+ return
+
+ # compute invariant percentage
+ if self.qstar is None:
+ self.qstar_percent = None
+ else:
+ try:
+ self.qstar_percent = float(self.qstar) / float(self.qstar_total)
+ except:
+ self.qstar_percent = 'error'
+ # compute low q invariant percentage
+ if self.qstar_low is None:
+ self.qstar_low_percent = None
+ else:
+ try:
+ self.qstar_low_percent = float(self.qstar_low)\
+ / float(self.qstar_total)
+ except:
+ self.qstar_low_percent = 'error'
+ # compute high q invariant percentage
+ if self.qstar_high is None:
+ self.qstar_high_percent = None
+ else:
+ try:
+ self.qstar_high_percent = float(self.qstar_high)\
+ / float(self.qstar_total)
+ except:
+ self.qstar_high_percent = 'error'
+ wx.CallAfter(self.check_values)
+
+ def check_values(self):
+ """
+ check the validity if invariant
+ """
+ if self.qstar_total is None and self.qstar is None:
+ self.warning_msg = "Invariant not calculated.\n"
+ return
+ if self.qstar_total == 0:
+ self.existing_warning = True
+ self.warning_msg = "Invariant is zero. \n"
+ self.warning_msg += "The calculations are likely "
+ self.warning_msg += "to be unreliable!\n"
+ return
+ # warning to the user when the extrapolated invariant is greater than %5
+ msg = ''
+ if self.qstar_percent == 'error':
+ try:
+ float(self.qstar)
+ except:
+ self.existing_warning = True
+ msg += 'Error occurred when computing invariant from data.\n '
+ if self.qstar_percent > 1:
+ self.existing_warning = True
+ msg += "Invariant Q contribution is greater "
+ msg += "than 100% .\n"
+ if self.qstar_low_percent == 'error':
+ try:
+ float(self.qstar_low)
+ except:
+ self.existing_warning = True
+ msg += "Error occurred when computing extrapolated invariant"
+ msg += " at low-Q region.\n"
+ elif self.qstar_low_percent is not None:
+ if self.qstar_low_percent >= 0.05:
+ self.existing_warning = True
+ msg += "Extrapolated contribution at Low Q is higher "
+ msg += "than 5% of the invariant.\n"
+ elif self.qstar_low_percent < 0:
+ self.existing_warning = True
+ msg += "Extrapolated contribution at Low Q < 0.\n"
+ elif self.qstar_low_percent > 1:
+ self.existing_warning = True
+ msg += "Extrapolated contribution at Low Q is greater "
+ msg += "than 100% .\n"
+ if self.qstar_high_percent == 'error':
+ try:
+ float(self.qstar_high)
+ except:
+ self.existing_warning = True
+ msg += 'Error occurred when computing extrapolated'
+ msg += ' invariant at high-Q region.\n'
+ elif self.qstar_high_percent is not None:
+ if self.qstar_high_percent >= 0.05:
+ self.existing_warning = True
+ msg += "Extrapolated contribution at High Q is higher "
+ msg += "than 5% of the invariant.\n"
+ elif self.qstar_high_percent < 0:
+ self.existing_warning = True
+ msg += "Extrapolated contribution at High Q < 0.\n"
+ elif self.qstar_high_percent > 1:
+ self.existing_warning = True
+ msg += "Extrapolated contribution at High Q is greater "
+ msg += "than 100% .\n"
+ if (self.qstar_low_percent not in [None, "error"]) and \
+ (self.qstar_high_percent not in [None, "error"])\
+ and self.qstar_low_percent + self.qstar_high_percent >= 0.05:
+ self.existing_warning = True
+ msg += "The sum of all extrapolated contributions is higher "
+ msg += "than 5% of the invariant.\n"
+
+ if self.existing_warning:
+ self.warning_msg = ''
+ self.warning_msg += msg
+ self.warning_msg += "The calculations are likely to be"
+ self.warning_msg += " unreliable!\n"
+ else:
+ self.warning_msg = "No Details on calculations available...\n"
+
+class InvariantDetailsPanel(wx.Dialog):
+ """
+ This panel describes proportion of invariants
+ """
+ def __init__(self, parent=None, id=-1, qstar_container=None,
+ title="Invariant Details",
+ size=(PANEL_WIDTH, PANEL_HEIGHT)):
+ wx.Dialog.__init__(self, parent=parent, id=id, title=title, size=size)
+
+ # Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self.parent = parent
+ # self.qstar_container
+ self.qstar_container = qstar_container
+ # warning message
+ self.warning_msg = self.qstar_container.warning_msg
+
+ # Define scale of each bar
+ self.low_inv_percent = self.qstar_container.qstar_low_percent
+ self.low_scale = self.get_scale(percentage=self.low_inv_percent,
+ scale_name="Extrapolated at Low Q")
+ self.inv_percent = self.qstar_container.qstar_percent
+ self.inv_scale = self.get_scale(percentage=self.inv_percent,
+ scale_name="Inv in Q range")
+ self.high_inv_percent = self.qstar_container.qstar_high_percent
+ self.high_scale = self.get_scale(percentage=self.high_inv_percent,
+ scale_name="Extrapolated at High Q")
+
+ # Default color the extrapolation bar is grey
+ self.extrapolation_color_low = EXTRAPOLATION_COLOR
+ self.extrapolation_color_high = EXTRAPOLATION_COLOR
+ self.invariant_color = INVARIANT_COLOR
+ # change color of high and low bar when necessary
+ self.set_color_bar()
+ # draw the panel itself
+ self._do_layout()
+ self.set_values()
+
+ def _define_structure(self):
+ """
+ Define main sizers needed for this panel
+ """
+ # Box sizers must be defined first before defining buttons/textctrls
+ # (MAC).
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ # Sizer related to chart
+ chart_box = wx.StaticBox(self, -1, "Invariant Chart")
+ self.chart_sizer = wx.StaticBoxSizer(chart_box, wx.VERTICAL)
+ self.chart_sizer.SetMinSize((PANEL_WIDTH - 50, 110))
+ # Sizer related to invariant values
+ self.invariant_sizer = wx.GridBagSizer(4, 4)
+ invariant_box = wx.StaticBox(self, -1, "Numerical Values")
+ self.invariant_box_sizer = wx.StaticBoxSizer(invariant_box, wx.HORIZONTAL)
+
+ self.invariant_box_sizer.SetMinSize((PANEL_WIDTH - 50, -1))
+ # Sizer related to warning message
+ warning_box = wx.StaticBox(self, -1, "Warning")
+ self.warning_sizer = wx.StaticBoxSizer(warning_box, wx.VERTICAL)
+ self.warning_sizer.SetMinSize((PANEL_WIDTH - 50, -1))
+ # Sizer related to button
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_shart(self):
+ """
+ Draw widgets related to chart
+ """
+ self.panel_chart = wx.Panel(self)
+ self.panel_chart.Bind(wx.EVT_PAINT, self.on_paint)
+ self.chart_sizer.Add(self.panel_chart, 1, wx.EXPAND | wx.ALL, 0)
+
+ def _layout_invariant(self):
+ """
+ Draw widgets related to invariant
+ """
+ uncertainty = "+/-"
+ unit_invariant = '[1/(cm * A^3)]'
+
+ invariant_txt = wx.StaticText(self, -1, 'Q* from Data ')
+ invariant_txt.SetToolTipString("Invariant in the data set's Q range.")
+ self.invariant_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ hint_msg = "Invariant in the data set's Q range."
+ self.invariant_tcl.SetToolTipString(hint_msg)
+ self.invariant_err_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ hint_msg = "Uncertainty on the invariant from data's range."
+ self.invariant_err_tcl.SetToolTipString(hint_msg)
+ invariant_units_txt = wx.StaticText(self, -1, unit_invariant)
+ hint_msg = "Unit of the invariant from data's Q range"
+ invariant_units_txt.SetToolTipString(hint_msg)
+
+ invariant_low_txt = wx.StaticText(self, -1, 'Q* from Low-Q')
+ hint_msg = "Extrapolated invariant from low-Q range."
+ invariant_low_txt.SetToolTipString(hint_msg)
+ self.invariant_low_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ hint_msg = "Extrapolated invariant from low-Q range."
+ self.invariant_low_tcl.SetToolTipString(hint_msg)
+ self.invariant_low_err_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ hint_msg = "Uncertainty on the invariant from low-Q range."
+ self.invariant_low_err_tcl.SetToolTipString(hint_msg)
+ invariant_low_units_txt = wx.StaticText(self, -1, unit_invariant)
+ hint_msg = "Unit of the extrapolated invariant from low-Q range"
+ invariant_low_units_txt.SetToolTipString(hint_msg)
+
+ invariant_high_txt = wx.StaticText(self, -1, 'Q* from High-Q')
+ hint_msg = "Extrapolated invariant from high-Q range"
+ invariant_high_txt.SetToolTipString(hint_msg)
+ self.invariant_high_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ hint_msg = "Extrapolated invariant from high-Q range"
+ self.invariant_high_tcl.SetToolTipString(hint_msg)
+ self.invariant_high_err_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1))
+ hint_msg = "Uncertainty on the invariant from high-Q range."
+ self.invariant_high_err_tcl.SetToolTipString(hint_msg)
+ invariant_high_units_txt = wx.StaticText(self, -1, unit_invariant)
+ hint_msg = "Unit of the extrapolated invariant from high-Q range"
+ invariant_high_units_txt.SetToolTipString(hint_msg)
+
+ # Invariant low
+ iy = 0
+ ix = 0
+ self.invariant_sizer.Add(invariant_low_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_low_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(wx.StaticText(self, -1, uncertainty),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_low_err_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(invariant_low_units_txt,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ # Invariant
+ iy += 1
+ ix = 0
+ self.invariant_sizer.Add(invariant_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(wx.StaticText(self, -1, uncertainty),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_err_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(invariant_units_txt,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ # Invariant high
+ iy += 1
+ ix = 0
+ self.invariant_sizer.Add(invariant_high_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_high_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(wx.StaticText(self, -1, uncertainty),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_high_err_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.invariant_sizer.Add(invariant_high_units_txt,
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.invariant_box_sizer.Add(self.invariant_sizer, 0, wx.TOP | wx.BOTTOM, 10)
+
+ def _layout_warning(self):
+ """
+ Draw widgets related to warning
+ """
+ # Warning [string]
+ self.warning_msg_txt = wx.StaticText(self, -1, self.warning_msg)
+ if self.qstar_container.existing_warning:
+ self.warning_msg_txt.SetForegroundColour('red')
+ self.warning_sizer.AddMany([(self.warning_msg_txt, 0,
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)])
+
+ def _layout_button(self):
+ """
+ Draw widgets related to button
+ """
+ # Close button
+ id = wx.NewId()
+ button_ok = wx.Button(self, id, "Ok")
+ button_ok.SetToolTipString("Give Details on Computation")
+ self.Bind(wx.EVT_BUTTON, self.on_close, id=id)
+ self.button_sizer.AddMany([((20, 20), 0, wx.LEFT, 350),
+ (button_ok, 0, wx.RIGHT, 10)])
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ self._define_structure()
+ self._layout_shart()
+ self._layout_invariant()
+ self._layout_warning()
+ self._layout_button()
+ self.main_sizer.AddMany([(self.chart_sizer, 0, wx.ALL, 10),
+ (self.invariant_box_sizer, 0, wx.ALL, 10),
+ (self.warning_sizer, 0, wx.ALL, 10),
+ (self.button_sizer, 0, wx.ALL, 10)])
+ self.SetSizer(self.main_sizer)
+
+
+ def set_values(self):
+ """
+ Set value of txtcrtl
+ """
+ value = format_number(self.qstar_container.qstar)
+ self.invariant_tcl.SetValue(value)
+ value = format_number(self.qstar_container.qstar_err)
+ self.invariant_err_tcl.SetValue(value)
+ value = format_number(self.qstar_container.qstar_low)
+ self.invariant_low_tcl.SetValue(value)
+ value = format_number(self.qstar_container.qstar_low_err)
+ self.invariant_low_err_tcl.SetValue(value)
+ value = format_number(self.qstar_container.qstar_high)
+ self.invariant_high_tcl.SetValue(value)
+ value = format_number(self.qstar_container.qstar_high_err)
+ self.invariant_high_err_tcl.SetValue(value)
+
+ def get_scale(self, percentage, scale_name='scale'):
+ """
+ Check scale receive in this panel.
+ """
+ scale = RECTANGLE_SCALE
+ try:
+ if percentage in [None, 0.0, "error"]:
+ scale = RECTANGLE_SCALE
+ return scale
+ elif percentage < 0:
+ scale = RECTANGLE_SCALE
+ return scale
+ scale = float(percentage)
+ except:
+ scale = RECTANGLE_SCALE
+ self.warning_msg += "Recieve an invalid scale for %s\n"
+ self.warning_msg += "check this value : %s\n" % str(percentage)
+ return scale
+
+ def set_color_bar(self):
+ """
+ Change the color for low and high bar when necessary
+ """
+ self.extrapolation_color_low = EXTRAPOLATION_COLOR
+ self.extrapolation_color_high = EXTRAPOLATION_COLOR
+ self.invariant_color = INVARIANT_COLOR
+ # warning to the user when the extrapolated invariant is greater than %5
+ if self.low_scale >= 0.05 or self.low_scale > 1 or self.low_scale < 0:
+ self.extrapolation_color_low = ERROR_COLOR
+ if self.high_scale >= 0.05 or self.high_scale > 1 or self.high_scale < 0:
+ self.extrapolation_color_high = ERROR_COLOR
+ if self.inv_scale > 1 or self.inv_scale < 0:
+ self.invariant_color = ERROR_COLOR
+
+ def on_close(self, event):
+ """
+ Close the current window
+ """
+ self.Close()
+
+ def on_paint(self, event):
+ """
+ Draw the chart
+ """
+ dc = wx.PaintDC(self.panel_chart)
+ try:
+ gc = wx.GraphicsContext.Create(dc)
+ except NotImplementedError:
+ msg = "This build of wxPython does not support "
+ msg += "the wx.GraphicsContext family of classes."
+ dc.DrawText(msg, 25, 25)
+ return
+ # Start the drawing
+ font = wx.SystemSettings.GetFont(wx.SYS_DEFAULT_GUI_FONT)
+ font.SetWeight(wx.BOLD)
+ gc.SetFont(font)
+ # Draw a rectangle
+ path = gc.CreatePath()
+ path.AddRectangle(-RECTANGLE_WIDTH / 2, -RECTANGLE_HEIGHT / 2,
+ RECTANGLE_WIDTH / 2, RECTANGLE_HEIGHT / 2)
+ x_origine = 20
+ y_origine = 15
+ # Draw low rectangle
+ gc.PushState()
+ label = "Q* from Low-Q "
+ PathFunc = gc.DrawPath
+ w, h = gc.GetTextExtent(label)
+ gc.DrawText(label, x_origine, y_origine)
+ # Translate the rectangle
+ x_center = x_origine + RECTANGLE_WIDTH * self.low_scale / 2 + w + 10
+ y_center = y_origine + h
+ gc.Translate(x_center, y_center)
+ gc.SetPen(wx.Pen("black", 1))
+ gc.SetBrush(wx.Brush(self.extrapolation_color_low))
+ if self.low_inv_percent is None:
+ low_percent = 'Not Computed'
+ elif self.low_inv_percent == 'error':
+ low_percent = 'Error'
+ else:
+ low_percent = format_number(self.low_inv_percent * 100) + '%'
+ x_center = 20
+ y_center = -h
+ gc.DrawText(low_percent, x_center, y_center)
+ # Increase width by self.low_scale
+ gc.Scale(self.low_scale, 1.0)
+ PathFunc(path)
+ gc.PopState()
+ # Draw rectangle for invariant
+ gc.PushState() # save it again
+ y_origine += 20
+ gc.DrawText("Q* from Data ", x_origine, y_origine)
+ # offset to the lower part of the window
+ x_center = x_origine + RECTANGLE_WIDTH * self.inv_scale / 2 + w + 10
+ y_center = y_origine + h
+ gc.Translate(x_center, y_center)
+ # 128 == half transparent
+ gc.SetBrush(wx.Brush(self.invariant_color))
+ # Increase width by self.inv_scale
+ if self.inv_percent is None:
+ inv_percent = 'Not Computed'
+ elif self.inv_percent == 'error':
+ inv_percent = 'Error'
+ else:
+ inv_percent = format_number(self.inv_percent * 100) + '%'
+ x_center = 20
+ y_center = -h
+ gc.DrawText(inv_percent, x_center, y_center)
+ gc.Scale(self.inv_scale, 1.0)
+ gc.DrawPath(path)
+ gc.PopState()
+ # restore saved state
+ # Draw rectangle for high invariant
+ gc.PushState()
+ y_origine += 20
+ gc.DrawText("Q* from High-Q ", x_origine, y_origine)
+ # define the position of the new rectangle
+ x_center = x_origine + RECTANGLE_WIDTH * self.high_scale / 2 + w + 10
+ y_center = y_origine + h
+ gc.Translate(x_center, y_center)
+ gc.SetBrush(wx.Brush(self.extrapolation_color_high))
+ # increase scale by self.high_scale
+ if self.high_inv_percent is None:
+ high_percent = 'Not Computed'
+ elif self.high_inv_percent == 'error':
+ high_percent = 'Error'
+ else:
+ high_percent = format_number(self.high_inv_percent * 100) + '%'
+ x_center = 20
+ y_center = -h
+ gc.DrawText(high_percent, x_center, y_center)
+
+ gc.Scale(self.high_scale, 1.0)
+ gc.DrawPath(path)
+ gc.PopState()
diff --git a/src/sas/sasgui/perspectives/invariant/invariant_panel.py b/src/sas/sasgui/perspectives/invariant/invariant_panel.py
new file mode 100644
index 0000000..9c65f80
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/invariant_panel.py
@@ -0,0 +1,1965 @@
+"""
+This module provides the GUI for the invariant perspective panel
+
+"""
+import copy
+import time
+import sys
+import os
+import wx
+import logging
+
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sascalc.invariant import invariant
+
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.utils import check_float
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.events import AppendBookmarkEvent
+from sas.sasgui.perspectives.invariant.invariant_details import InvariantDetailsPanel
+from sas.sasgui.perspectives.invariant.invariant_details import InvariantContainer
+from sas.sasgui.perspectives.invariant.invariant_widgets import OutputTextCtrl
+from sas.sasgui.perspectives.invariant.invariant_widgets import InvTextCtrl
+from sas.sasgui.perspectives.invariant.invariant_state import InvariantState as IState
+from sas.sasgui.guiframe.panel_base import PanelBase
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+# The minimum q-value to be used when extrapolating
+Q_MINIMUM = 1e-5
+# The maximum q-value to be used when extrapolating
+Q_MAXIMUM = 10
+# the ratio of maximum q value/(qmax of data) to plot the theory data
+Q_MAXIMUM_PLOT = 3
+# the number of points to consider during fit
+NPTS = 10
+#Default value for background
+BACKGROUND = 0.0
+#default value for the scale
+SCALE = 1.0
+#default value of the contrast
+CONTRAST = 1.0
+#default value of the power used for power law
+POWER = 4.0
+#Invariant panel size
+_BOX_WIDTH = 76
+
+
+if sys.platform.count("win32") > 0:
+ _STATICBOX_WIDTH = 450
+ PANEL_WIDTH = 500
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 0
+else:
+ _STATICBOX_WIDTH = 490
+ PANEL_WIDTH = 530
+ PANEL_HEIGHT = 700
+ FONT_VARIANT = 1
+
+
+class InvariantPanel(ScrolledPanel, PanelBase):
+ """
+ Main class defining the sizers (wx "panels") used to draw the
+ Invariant GUI.
+ """
+ ## Internal nickname for the window, used by the AUI manager
+ window_name = "Invariant"
+ ## Name to appear on the window title bar
+ window_caption = "Invariant"
+ ## Flag to tell the AUI manager to put this panel in the center pane
+ CENTER_PANE = True
+ def __init__(self, parent, data=None, manager=None, *args, **kwds):
+ kwds["size"] = (PANEL_WIDTH, PANEL_HEIGHT)
+ kwds["style"] = wx.FULL_REPAINT_ON_RESIZE
+ ScrolledPanel.__init__(self, parent=parent, *args, **kwds)
+ PanelBase.__init__(self, parent)
+ self.SetupScrolling()
+ #Font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ #Object that receive status event
+ self.parent = parent.parent
+ #plug-in using this panel
+ self._manager = manager
+ #Data uses for computation
+ self._data = data
+ self._scale = SCALE
+ self._background = BACKGROUND
+ self._bmark = None
+ self.bookmark_num = 0
+ self.state = None
+ self.popUpMenu = None
+ self._set_bookmark_menu()
+ #Init state
+ self.set_state()
+ # default flags for state
+ self.new_state = False
+ self.is_state_data = False
+ self.is_power_out = False
+ self._set_analysis(False)
+
+ #container of invariant value
+ self.inv_container = None
+ #sizers
+ self.main_sizer = None
+ self.outputs_sizer = None
+ self.data_name_boxsizer = None
+ self.hint_msg_sizer = None
+ self.data_name_sizer = None
+ self.data_range_sizer = None
+ self.sizer_input = None
+ self.inputs_sizer = None
+ self.extrapolation_sizer = None
+ self.extrapolation_range_sizer = None
+ self.extrapolation_low_high_sizer = None
+ self.low_extrapolation_sizer = None
+ self.low_q_sizer = None
+ self.high_extrapolation_sizer = None
+ self.high_q_sizer = None
+ self.volume_surface_sizer = None
+ self.invariant_sizer = None
+ self.button_sizer = None
+ self.save_button_sizer = None
+ self.hint_msg_txt = None
+ self.data_name_tcl = None
+ self.data_min_tcl = None
+ self.data_max_tcl = None
+ #Draw the panel
+ self._do_layout()
+ self.reset_panel()
+ self._reset_state_list()
+ ## Default file location for save
+ self._default_save_location = os.getcwd()
+ if self.parent is not None:
+ msg = ""
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="info"))
+ self._default_save_location = \
+ self.parent.get_save_location()
+
+ self._set_bookmark_flag(False)
+
+ def get_data(self):
+ """
+ """
+ return self._manager.get_data()
+
+ def get_state(self):
+ """
+ """
+ return self.state
+
+ def set_data(self, data):
+ """
+ Set the data
+ """
+ self._data = data
+ #edit the panel
+ if self._data is not None:
+ self._delete_bookmark_items()
+ self.get_state_by_num(0)
+ data_name = self._data.name
+ data_qmin = min(self._data.x)
+ data_qmax = max(self._data.x)
+ self.data_name_tcl.SetValue(str(data_name))
+ self.data_min_tcl.SetValue(str(data_qmin))
+ self.data_max_tcl.SetValue(str(data_qmax))
+ self.reset_panel()
+ self.compute_invariant(event=None)
+ self.state.file = self._data.name
+ #Reset the list of states
+ self.state.data = copy.deepcopy(data)
+ self._set_save_flag(True)
+ self._set_preview_flag(False)
+ self._reset_state_list()
+ self._set_bookmark_flag(True)
+ self._set_analysis(True)
+ return True
+
+ def _delete_bookmark_items(self):
+ """
+ Delete bookmark menu items
+ """
+ # delete toolbar menu
+ self.parent.reset_bookmark_menu(self)
+ self.parent._update_toolbar_helper()
+ # delete popUpMenu items
+ pos = 0
+ for item in self.popUpMenu.GetMenuItems():
+ pos += 1
+ if pos < 3:
+ continue
+ self.popUpMenu.DestroyItem(item)
+
+ def set_message(self):
+ """
+ Display warning message if available
+ """
+ if self.inv_container is not None:
+ if self.inv_container.existing_warning:
+ msg = "Warning! Computations on invariant require your "
+ msg += "attention.\nPlease click on Details button."
+ self.hint_msg_txt.SetForegroundColour("red")
+
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg, info="warning"))
+ else:
+ msg = "For more information, click on Details button."
+ self.hint_msg_txt.SetForegroundColour("black")
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg, info="info"))
+ self.hint_msg_txt.SetLabel(msg)
+ self.Layout()
+
+ def set_manager(self, manager):
+ """
+ set value for the manager
+ """
+ self._manager = manager
+
+ def save_project(self, doc=None):
+ """
+ return an xml node containing state of the panel
+ that guiframe can write to file
+ """
+ data = self.get_data()
+ state = self.get_state()
+ if data is not None:
+ new_doc = self._manager.state_reader.write_toXML(data, state)
+ if new_doc is not None:
+ if doc is not None and hasattr(doc, "firstChild"):
+ child = new_doc.getElementsByTagName("SASentry")
+ for item in child:
+ doc.firstChild.appendChild(item)
+ else:
+ doc = new_doc
+ return doc
+
+ def set_state(self, state=None, data=None):
+ """
+ set state when loading it from a .inv/.svs file
+ """
+
+ if state == None and data == None:
+ self.state = IState()
+ elif state == None or data == None:
+ return
+ else:
+ new_state = copy.deepcopy(state)
+ self.new_state = True
+ if not self.set_data(data):
+ return
+
+ self.state = new_state
+ self.state.file = data.name
+
+ num = self.state.saved_state['state_num']
+ if int(num) > 0:
+ self._set_undo_flag(True)
+ if int(num) < len(state.state_list) - 1:
+ self._set_redo_flag(True)
+
+ # get bookmarks
+ self.bookmark_num = len(self.state.bookmark_list)
+ total_bookmark_num = self.bookmark_num + 1
+
+ for ind in range(1, total_bookmark_num):
+ #bookmark_num = ind
+ value = self.state.bookmark_list[ind]
+ name = "%d] bookmarked at %s on %s" % (ind, value[0], value[1])
+ # append it to menu
+ id = wx.NewId()
+ self.popUpMenu.Append(id, name, str(''))
+ wx.EVT_MENU(self, id, self._back_to_bookmark)
+ wx.PostEvent(self.parent,
+ AppendBookmarkEvent(title=name,
+ hint='',
+ handler=self._back_to_bookmark))
+
+ self.get_state_by_num(state_num=str(num))
+
+ self._get_input_list()
+ #make sure that the data is reset (especially
+ # when loaded from a inv file)
+ self.state.data = self._data
+ self._set_preview_flag(False)
+ self.new_state = False
+ self.is_state_data = False
+ self._set_analysis(True)
+
+ def clear_panel(self):
+ """
+ Clear panel to defaults, used by set_state of manager
+ """
+
+ self._data = None
+ # default data testctrl
+ self.hint_msg_txt.SetLabel('')
+ data_name = ''
+ data_qmin = ''
+ data_qmax = ''
+ self.data_name_tcl.SetValue(str(data_name))
+ self.data_min_tcl.SetValue(str(data_qmin))
+ self.data_max_tcl.SetValue(str(data_qmax))
+ #reset output textctrl
+ self._reset_output()
+ #reset panel
+ self.reset_panel()
+ #reset state w/o data
+ self.set_state()
+ # default flags for state
+ self.new_state = False
+ self.is_state_data = False
+ self.is_power_out = False
+
+ def get_background(self):
+ """
+ return the background textcrtl value as a float
+ """
+ background = self.background_tcl.GetValue().lstrip().rstrip()
+ if background == "":
+ raise ValueError, "Need a background"
+ if check_float(self.background_tcl):
+ return float(background)
+ else:
+ msg = "Receive invalid value for background : %s" % (background)
+ raise ValueError, msg
+
+ def get_scale(self):
+ """
+ return the scale textcrtl value as a float
+ """
+ scale = self.scale_tcl.GetValue().lstrip().rstrip()
+ if scale == "":
+ raise ValueError, "Need a background"
+ if check_float(self.scale_tcl):
+ if float(scale) <= 0.0:
+ self.scale_tcl.SetBackgroundColour("pink")
+ self.scale_tcl.Refresh()
+ msg = "Receive invalid value for scale: %s" % (scale)
+ raise ValueError, msg
+ return float(scale)
+ else:
+ raise ValueError, "Receive invalid value for scale : %s" % (scale)
+
+ def get_contrast(self):
+ """
+ return the contrast textcrtl value as a float
+ """
+ par_str = self.contrast_tcl.GetValue().strip()
+ contrast = None
+ if par_str != " " and check_float(self.contrast_tcl):
+ contrast = float(par_str)
+ return contrast
+
+ def get_extrapolation_type(self, low_q, high_q):
+ """
+ get extrapolation type
+ """
+ extrapolation = None
+ if low_q and not high_q:
+ extrapolation = "low"
+ elif not low_q and high_q:
+ extrapolation = "high"
+ elif low_q and high_q:
+ extrapolation = "both"
+ return extrapolation
+
+ def get_porod_const(self):
+ """
+ return the porod constant textcrtl value as a float
+ """
+ par_str = self.porod_constant_tcl.GetValue().strip()
+ porod_const = None
+ if par_str != "" and check_float(self.porod_constant_tcl):
+ porod_const = float(par_str)
+ return porod_const
+
+ def get_volume(self, inv, contrast, extrapolation):
+ """
+ get volume fraction
+ """
+ if contrast is not None:
+ try:
+ v, dv = inv.get_volume_fraction_with_error(contrast=contrast,
+ extrapolation=extrapolation)
+ self.volume_tcl.SetValue(format_number(v))
+ self.volume_err_tcl.SetValue(format_number(dv))
+ except:
+ self.volume_tcl.SetValue(format_number(None))
+ self.volume_err_tcl.SetValue(format_number(None))
+ msg = "Error occurred computing volume "
+ msg += " fraction: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+
+ def get_surface(self, inv, contrast, porod_const, extrapolation):
+ """
+ get surface value
+ """
+ if contrast is not None and porod_const is not None:
+ try:
+ s, ds = inv.get_surface_with_error(contrast=contrast,
+ porod_const=porod_const,
+ extrapolation=extrapolation)
+ self.surface_tcl.SetValue(format_number(s))
+ self.surface_err_tcl.SetValue(format_number(ds))
+ except:
+ self.surface_tcl.SetValue(format_number(None))
+ self.surface_err_tcl.SetValue(format_number(None))
+ msg = "Error occurred computing "
+ msg += "specific surface: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
+ type="stop"))
+
+ def get_total_qstar(self, inv, extrapolation):
+ """
+ get total qstar
+ """
+ try:
+ qstar_total, qstar_total_err = \
+ inv.get_qstar_with_error(extrapolation)
+ self.invariant_total_tcl.SetValue(format_number(qstar_total))
+ self.invariant_total_err_tcl.SetValue(\
+ format_number(qstar_total_err))
+ self.inv_container.qstar_total = qstar_total
+ self.inv_container.qstar_total_err = qstar_total_err
+ except:
+ self.inv_container.qstar_total = "Error"
+ self.inv_container.qstar_total_err = "Error"
+ self.invariant_total_tcl.SetValue(format_number(None))
+ self.invariant_total_err_tcl.SetValue(format_number(None))
+ msg = "Error occurred computing invariant using"
+ msg += " extrapolation: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
+
+ def get_low_qstar(self, inv, npts_low, low_q=False):
+ """
+ get low qstar
+ """
+ if low_q:
+ try:
+ qstar_low, qstar_low_err = inv.get_qstar_low()
+ self.inv_container.qstar_low = qstar_low
+ self.inv_container.qstar_low_err = qstar_low_err
+ extrapolated_data = inv.get_extra_data_low(npts_in=npts_low)
+ power_low = inv.get_extrapolation_power(range='low')
+ if self.power_law_low.GetValue():
+ self.power_low_tcl.SetValue(format_number(power_low))
+ self._manager.plot_theory(data=extrapolated_data,
+ name="Low-Q extrapolation")
+ except:
+ self.inv_container.qstar_low = "ERROR"
+ self.inv_container.qstar_low_err = "ERROR"
+ self._manager.plot_theory(name="Low-Q extrapolation")
+ msg = "Error occurred computing low-Q "
+ msg += "invariant: %s" % sys.exc_value
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg, type="stop"))
+ raise
+ else:
+ try:
+ self._manager.plot_theory(name="Low-Q extrapolation")
+ except:
+ logging.error(sys.exc_value)
+
+ def get_high_qstar(self, inv, high_q=False):
+ """
+ get high qstar
+ """
+ if high_q:
+ try:
+ qmax_plot = Q_MAXIMUM_PLOT * max(self._data.x)
+ if qmax_plot > Q_MAXIMUM:
+ qmax_plot = Q_MAXIMUM
+ qstar_high, qstar_high_err = inv.get_qstar_high()
+ self.inv_container.qstar_high = qstar_high
+ self.inv_container.qstar_high_err = qstar_high_err
+ power_high = inv.get_extrapolation_power(range='high')
+ self.power_high_tcl.SetValue(format_number(power_high))
+ high_out_data = inv.get_extra_data_high(q_end=qmax_plot,
+ npts=500)
+ self._manager.plot_theory(data=high_out_data,
+ name="High-Q extrapolation")
+ except:
+ #raise
+ self.inv_container.qstar_high = "ERROR"
+ self.inv_container.qstar_high_err = "ERROR"
+ self._manager.plot_theory(name="High-Q extrapolation")
+ msg = "Error occurred computing high-Q "
+ msg += "invariant: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ type="stop"))
+ raise
+ else:
+ try:
+ self._manager.plot_theory(name="High-Q extrapolation")
+ except:
+ logging.error(sys.exc_value)
+
+ def get_qstar(self, inv):
+ """
+ get qstar
+ """
+ qstar, qstar_err = inv.get_qstar_with_error()
+ self.inv_container.qstar = qstar
+ self.inv_container.qstar_err = qstar_err
+
+ def set_extrapolation_low(self, inv, low_q=False):
+ """
+ return float value necessary to compute invariant a low q
+ """
+ #get funtion
+ if self.guinier.GetValue():
+ function_low = "guinier"
+ # get the function
+ power_low = None #2.0/3.0
+ if self.power_law_low.GetValue():
+ function_low = "power_law"
+ if self.fit_enable_low.GetValue():
+ #set value of power_low to none to allow fitting
+ power_low = None
+ else:
+ power_low = self.power_low_tcl.GetValue().lstrip().rstrip()
+ if check_float(self.power_low_tcl):
+ power_low = float(power_low)
+ else:
+ if low_q:
+ #Raise error only when qstar at low q is requested
+ msg = "Expect float for power at low q, "
+ msg += " got %s" % (power_low)
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+
+ #Get the number of points to extrapolated
+ npts_low = self.npts_low_tcl.GetValue().lstrip().rstrip()
+ if check_float(self.npts_low_tcl):
+ npts_low = float(npts_low)
+ else:
+ if low_q:
+ msg = "Expect float for number of points at low q,"
+ msg += " got %s" % (npts_low)
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+ #Set the invariant calculator
+ inv.set_extrapolation(range="low", npts=npts_low,
+ function=function_low, power=power_low)
+ return inv, npts_low
+
+
+ def set_extrapolation_high(self, inv, high_q=False):
+ """
+ return float value necessary to compute invariant a high q
+ """
+ power_high = None
+ #if self.power_law_high.GetValue():
+ function_high = "power_law"
+ if self.fit_enable_high.GetValue():
+ #set value of power_high to none to allow fitting
+ power_high = None
+ else:
+ power_high = self.power_high_tcl.GetValue().lstrip().rstrip()
+ if check_float(self.power_high_tcl):
+ power_high = float(power_high)
+ else:
+ if high_q:
+ #Raise error only when qstar at high q is requested
+ msg = "Expect float for power at high q,"
+ msg += " got %s" % (power_high)
+ wx.PostEvent(self.parent,
+ StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+
+ npts_high = self.npts_high_tcl.GetValue().lstrip().rstrip()
+ if check_float(self.npts_high_tcl):
+ npts_high = float(npts_high)
+ else:
+ if high_q:
+ msg = "Expect float for number of points at high q,"
+ msg += " got %s" % (npts_high)
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+ inv.set_extrapolation(range="high", npts=npts_high,
+ function=function_high, power=power_high)
+ return inv, npts_high
+
+ def display_details(self, event):
+ """
+ open another panel for more details on invariant calculation
+ """
+ panel = InvariantDetailsPanel(parent=self,
+ qstar_container=self.inv_container)
+ panel.ShowModal()
+ panel.Destroy()
+ self.button_calculate.SetFocus()
+
+ def compute_invariant(self, event=None):
+ """
+ compute invariant
+ """
+ if self._data == None:
+ msg = "\n\nData must be loaded first in order"
+ msg += " to perform a compution..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ # set a state for this computation for saving
+ elif event != None:
+ self._set_compute_state(state='compute')
+ self._set_bookmark_flag(True)
+ msg = "\n\nStarting a new invariant computation..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+
+ if self._data is None:
+ return
+ self.button_details.Enable()
+ #clear outputs textctrl
+ self._reset_output()
+ try:
+ background = self.get_background()
+ scale = self.get_scale()
+ except:
+ msg = "Invariant Error: %s" % (sys.exc_value)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
+ return
+
+ low_q = self.enable_low_cbox.GetValue()
+ high_q = self.enable_high_cbox.GetValue()
+ temp_data = copy.deepcopy(self._data)
+
+ #set invariant calculator
+ inv = invariant.InvariantCalculator(data=temp_data,
+ background=background,
+ scale=scale)
+ try:
+ inv, npts_low = self.set_extrapolation_low(inv=inv, low_q=low_q)
+ inv, npts_high = self.set_extrapolation_high(inv=inv, high_q=high_q)
+ except:
+ msg = "Error occurred computing invariant: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="warning", type="stop"))
+ return
+ #check the type of extrapolation
+ extrapolation = self.get_extrapolation_type(low_q=low_q, high_q=high_q)
+
+ #Compute invariant
+ try:
+ self.get_qstar(inv=inv)
+ except:
+ msg = "Error occurred computing invariant: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="warning",
+ type="stop"))
+ return
+ #self.Show(False)
+ r_msg = ''
+ try:
+ r_msg = 'Low Q: '
+ #Compute qstar extrapolated to low q range
+ self.get_low_qstar(inv=inv, npts_low=npts_low, low_q=low_q)
+ r_msg = 'High Q: '
+ #Compute qstar extrapolated to high q range
+ self.get_high_qstar(inv=inv, high_q=high_q)
+ r_msg = ''
+ #Compute qstar extrapolated to total q range
+ #and set value to txtcrtl
+ self.get_total_qstar(inv=inv, extrapolation=extrapolation)
+ # Parse additional parameters
+ porod_const = self.get_porod_const()
+ contrast = self.get_contrast()
+ except:
+ msg = r_msg + "Error occurred computing invariant: %s" % \
+ sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="error",
+ type="stop"))
+ try:
+ #Compute volume and set value to txtcrtl
+ self.get_volume(inv=inv, contrast=contrast,
+ extrapolation=extrapolation)
+ #compute surface and set value to txtcrtl
+ except:
+ msg = "Error occurred computing invariant: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="warning",
+ type="stop"))
+ try:
+ self.get_surface(inv=inv, contrast=contrast,
+ porod_const=porod_const,
+ extrapolation=extrapolation)
+
+ except:
+ msg = "Error occurred computing invariant: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=msg,
+ info="warning",
+ type="stop"))
+
+ #compute percentage of each invariant
+ self.inv_container.compute_percentage()
+
+ #display a message
+ self.set_message()
+
+ # reset power_out to default to get ready for another '_on_text'
+ if self.is_power_out == True:
+ self.state.container = copy.deepcopy(self.inv_container)
+ self.state.timestamp = self._get_time_stamp()
+ msg = self.state.__str__()
+ self.state.set_report_string()
+ self.is_power_out = False
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ #enable the button_ok for more details
+ self._set_preview_flag(True)
+
+ if event != None:
+ self._set_preview_flag(True)
+ self._set_save_flag(True)
+ wx.PostEvent(self.parent,
+ StatusEvent(status='\nFinished invariant computation...'))
+ #self.Show(True)
+ self.Refresh()
+
+ def on_undo(self, event=None):
+ """
+ Go back to the previous state
+
+ : param event: undo button event
+ """
+ if self.state.state_num < 0:
+ return
+ self.is_power_out = True
+ # get the previous state_num
+ pre_state_num = int(self.state.saved_state['state_num']) - 1
+
+ self.get_state_by_num(state_num=str(pre_state_num))
+
+ if float(pre_state_num) <= 0:
+ self._set_undo_flag(False)
+ else:
+ self._set_undo_flag(True)
+ self._set_redo_flag(True)
+ self.is_power_out = False
+ self._info_state_num()
+
+
+ def on_redo(self, event=None):
+ """
+ Go forward to the previous state
+
+ : param event: redo button event
+ """
+ self.is_power_out = True
+ # get the next state_num
+ next_state_num = int(self.state.saved_state['state_num']) + 1
+
+ self.get_state_by_num(state_num=str(next_state_num))
+
+ if float(next_state_num) + 2 > len(self.state.state_list):
+ self._set_redo_flag(False)
+ else:
+ self._set_redo_flag(True)
+
+ self._set_undo_flag(True)
+ self.is_power_out = False
+ self._info_state_num()
+
+ def on_preview(self, event=None):
+ """
+ Invoke report dialog panel
+
+ : param event: report button event
+ """
+ from sas.sasgui.perspectives.invariant.report_dialog import ReportDialog
+
+ self.state.set_report_string()
+ report_html_str = self.state.report_str
+ report_text_str = self.state.__str__()
+ report_img = self.state.image
+ report_list = [report_html_str, report_text_str, report_img]
+ dialog = ReportDialog(report_list, None, -1, "")
+ dialog.Show()
+
+ def get_state_by_num(self, state_num=None):
+ """
+ Get the state given by number
+
+ : param state_num: the given state number
+ """
+ if state_num == None:
+ return
+
+ backup_state_list = copy.deepcopy(self.state.state_list)
+
+ # get the previous state
+ try:
+ current_state = copy.deepcopy(self.state.state_list[str(state_num)])
+ # get the previously computed state number
+ #(computation before the state changes happened)
+ current_compute_num = str(current_state['compute_num'])
+ except:
+ raise
+
+ # get the state at pre_compute_num
+ comp_state = copy.deepcopy(self.state.state_list[current_compute_num])
+
+ # set the parameters
+ for key in comp_state:
+ value = comp_state[key]
+ self._set_property_value(key, value)
+
+ self.compute_invariant(event=None)
+
+ # set the input params at the state at pre_state_num
+ for key in current_state:
+ # set the inputs and boxes
+ value = current_state[key]
+ self._set_property_value(key, value)
+
+ self._enable_high_q_section(event=None)
+ self._enable_low_q_section(event=None)
+ self.state.state_list = backup_state_list
+ self.state.saved_state = current_state
+ self.state.state_num = state_num
+
+ def _set_property_value(self, key, value):
+ """
+ Set a property value
+ :param key: property name
+ :param value: value of the property
+ """
+ try:
+ if key in ['compute_num', 'file', 'is_time_machine', 'state_num']:
+ return
+ else:
+ attr = getattr(self, key)
+ if attr.__class__.__name__ == "StaticText":
+ return
+ if value in ["True", "False", True, False]:
+ value = bool(value)
+ else:
+ value = str(value)
+ attr.SetValue(value)
+ except:
+ logging.error("Invariant state: %s", sys.exc_value)
+
+ def get_bookmark_by_num(self, num=None):
+ """
+ Get the bookmark state given by number
+
+ : param num: the given bookmark number
+
+ """
+ current_state = {}
+ comp_state = {}
+ backup_state_list = copy.deepcopy(self.state.state_list)
+
+ # get the previous state
+ try:
+ _, _, current_state, comp_state = self.state.bookmark_list[int(num)]
+ except:
+ logging.error(sys.exc_value)
+ raise ValueError, "No such bookmark exists"
+
+ # set the parameters
+ for key in comp_state:
+ value = comp_state[key]
+ self._set_property_value(key, value)
+
+ self.compute_invariant(event=None)
+ # set the input params at the state of pre_state_num
+ for key in current_state:
+ value = current_state[key]
+ self._set_property_value(key, value)
+ self.state.saved_state = copy.deepcopy(current_state)
+
+ self._enable_high_q_section(event=None)
+ self._enable_low_q_section(event=None)
+ self.state.state_list = backup_state_list
+ #self.state.saved_state = current_state
+ #self.state.state_num = state_num
+
+ def reset_panel(self):
+ """
+ set the panel at its initial state.
+ """
+ self.background_tcl.SetValue(str(BACKGROUND))
+ self.scale_tcl.SetValue(str(SCALE))
+ self.contrast_tcl.SetValue(str(CONTRAST))
+ self.porod_constant_tcl.SetValue('')
+ self.npts_low_tcl.SetValue(str(NPTS))
+ self.enable_low_cbox.SetValue(False)
+ self.fix_enable_low.SetValue(True)
+ self.power_low_tcl.SetValue(str(POWER))
+ self.guinier.SetValue(True)
+ self.power_low_tcl.Disable()
+ self.enable_high_cbox.SetValue(False)
+ self.fix_enable_high.SetValue(True)
+ self.power_high_tcl.SetValue(str(POWER))
+ self.npts_high_tcl.SetValue(str(NPTS))
+ self.button_details.Disable()
+ #Change the state of txtcrtl to enable/disable
+ self._enable_low_q_section()
+ #Change the state of txtcrtl to enable/disable
+ self._enable_high_q_section()
+ self._reset_output()
+ self._set_undo_flag(False)
+ self._set_redo_flag(False)
+ self._set_bookmark_flag(False)
+ self._set_preview_flag(False)
+ self._set_save_flag(False)
+ self.button_calculate.SetFocus()
+ #self.SetupScrolling()
+ self._set_analysis(False)
+
+ def _set_state(self, event):
+ """
+ Set the state list
+
+ :param event: rb/cb event
+ """
+ if event == None:
+ return
+ obj = event.GetEventObject()
+ name = str(obj.GetName())
+ value = str(obj.GetValue())
+ rb_list = [['power_law_low', 'guinier'],
+ ['fit_enable_low', 'fix_enable_low'],
+ ['fit_enable_high', 'fix_enable_high']]
+
+ try:
+ if value == None or value.lstrip().rstrip() == '':
+ value = 'None'
+ setattr(self.state, name, str(value))
+ self.state.saved_state[name] = str(value)
+
+ # set the count part of radio button clicked
+ #False for the saved_state
+ for title, content in rb_list:
+ if name == title:
+ name = content
+ value = False
+ elif name == content:
+ name = title
+ value = False
+ self.state.saved_state[name] = str(value)
+
+ # Instead of changing the future, create a new future.
+ max_state_num = len(self.state.state_list) - 1
+ self.state.saved_state['state_num'] = max_state_num
+
+ self.state.saved_state['state_num'] += 1
+ self.state.state_num = self.state.saved_state['state_num']
+ self.state.state_list[str(self.state.state_num)] = \
+ self.state.clone_state()
+ except:
+ logging.error(sys.exc_value)
+
+ self._set_undo_flag(True)
+ self._set_redo_flag(False)
+ #event.Skip()
+
+ def _set_compute_state(self, state=None):
+ """
+ Notify the compute_invariant state to self.state
+
+ : param state: set 'compute' when the computation is
+ activated by the 'compute' button, else None
+
+ """
+ # reset the default
+ if state != 'compute':
+ self.new_state = False
+ self.is_power_out = False
+ else:
+ self.is_power_out = True
+ # Instead of changing the future, create a new future.
+ max_state_num = len(self.state.state_list) - 1
+ self.state.saved_state['state_num'] = max_state_num
+ # A new computation is also A state
+ #copy.deepcopy(self.state.saved_state)
+ temp_saved_states = self.state.clone_state()
+ temp_saved_states['state_num'] += 1
+ self.state.state_num = temp_saved_states['state_num']
+
+
+ # set the state number of the computation
+ if state == 'compute':
+ temp_saved_states['compute_num'] = self.state.state_num
+ self.state.saved_state = copy.deepcopy(temp_saved_states)
+ #copy.deepcopy(self.state.saved_state)
+ self.state.state_list[str(self.state.state_num)] = \
+ self.state.clone_state()
+
+ # A computation is a new state, so delete the states with any higher
+ # state numbers
+ for i in range(self.state.state_num + 1, len(self.state.state_list)):
+ try:
+ del self.state.state_list[str(i)]
+ except:
+ logging.error(sys.exc_value)
+ # Enable the undo button if it was not
+ self._set_undo_flag(True)
+ self._set_redo_flag(False)
+
+ def _reset_state_list(self, data=None):
+ """
+ Reset the state_list just before data was loading:
+ Used in 'set_current_data()'
+ """
+ #if data == None: return
+ #temp_state = self.state.clone_state()
+ #copy.deepcopy(self.state.saved_state)
+ # Clear the list
+ self.state.state_list.clear()
+ self.state.bookmark_list.clear()
+ # Set defaults
+ self.state.saved_state['state_num'] = 0
+ self.state.saved_state['compute_num'] = 0
+ if self._data != None:
+ self.state.saved_state['file'] = str(self._data.name)
+ else:
+ self.state.saved_state['file'] = 'None'
+ self.state.file = self.state.saved_state['file']
+
+ self.state.state_num = self.state.saved_state['state_num']
+ self.state.timestamp = "('00:00:00', '00/00/0000')"
+
+ # Put only the current state in the list
+ #copy.deepcopy(self.state.saved_state)
+ self.state.state_list[str(self.state.state_num)] = \
+ self.state.clone_state()
+ self._set_undo_flag(False)
+ self._set_redo_flag(False)
+ self._set_bookmark_flag(False)
+ self._set_preview_flag(False)
+ self._set_save_flag(False)
+
+
+ def _on_text(self, event):
+ """
+ Catch text change event to add the state to the state_list
+
+ :param event: txtctr event ; assumes not None
+
+ """
+ if self._data == None:
+ return
+ # check if this event is from do/undo button
+ if self.state.saved_state['is_time_machine'] or self.new_state:
+ #event.Skip()
+ return
+
+ # get the object
+ obj = event.GetEventObject()
+ name = str(obj.GetName())
+ value = str(obj.GetValue())
+ state_num = self.state.saved_state['state_num']
+
+ # text event is a new state, so delete the states with higher state_num
+ # i.e., change the future
+ for i in range(int(state_num) + 1, len(self.state.state_list)):
+ try:
+ del self.state.state_list[str(i)]
+ except:
+ logging.error(sys.exc_value)
+
+ # try to add new state of the text changes in the state_list
+ try:
+ if value.strip() == None:
+ value = ''
+ setattr(self.state, name, str(value))
+ self.state.saved_state[name] = str(value)
+ self.state.input_list[name] = str(value)
+ if not self.is_power_out:
+ if name != 'power_low_tcl' and name != 'power_high_tcl':
+ self.state.saved_state['state_num'] += 1
+ self.state.state_num = self.state.saved_state['state_num']
+ self.state.state_list[str(self.state.state_num)] = self.state.clone_state()
+ except:
+ logging.error(sys.exc_value)
+
+ self._set_undo_flag(True)
+ self._set_redo_flag(False)
+ self._set_bookmark_flag(True)
+ self._set_preview_flag(False)
+
+ def _on_out_text(self, event):
+ """
+ Catch ouput text change to add the state
+
+ :param event: txtctr event ; assumes not None
+
+ """
+ # get the object
+ obj = event.GetEventObject()
+ name = str(obj.GetName())
+ value = str(obj.GetValue())
+ try:
+ self.state.saved_state[name] = str(value)
+ self.state.state_list[str(self.state.state_num)] = self.state.clone_state()
+ except:
+ logging.error(sys.exc_value)
+
+ def _get_input_list(self):
+ """
+ get input_list; called by set_state
+ """
+ # get state num of the last compute state
+ compute_num = self.state.saved_state['compute_num']
+ # find values and put into the input list
+ for key1, value1 in self.state.state_list[str(compute_num)].iteritems():
+ for key, _ in self.state.input_list.iteritems():
+ if key == key1:
+ self.state.input_list[key] = value1
+ break
+
+ def _set_bookmark_menu(self):
+ """
+ Setup 'bookmark' context menu
+ """
+ ## Create context menu for page
+ self.popUpMenu = wx.Menu()
+ id = wx.NewId()
+ self._bmark = wx.MenuItem(self.popUpMenu, id, "BookMark",
+ " Bookmark the panel to recall it later")
+ self.popUpMenu.AppendItem(self._bmark)
+ self._bmark.Enable(True)
+ wx.EVT_MENU(self, id, self.on_bookmark)
+ self.popUpMenu.AppendSeparator()
+ self.Bind(wx.EVT_CONTEXT_MENU, self._on_context_menu)
+
+ def on_bookmark(self, event):
+ """
+ Save the panel state in memory and add the list on
+ the popup menu on bookmark context menu event
+ """
+ if self._data == None:
+ return
+ if event == None:
+ return
+ self.bookmark_num += 1
+ # date and time of the event
+ my_time, date = self._get_time_stamp()
+ _ = self.state.state_num
+ compute_num = self.state.saved_state['compute_num']
+ # name and message of the bookmark list
+ msg = "State saved at %s on %s" % (my_time, date)
+ ## post help message for the selected model
+ msg += " Right click on the panel to retrieve this state"
+ #wx.PostEvent(self.parent.parent, StatusEvent(status = msg ))
+ name = "%d] bookmarked at %s on %s" % (self.bookmark_num, my_time, date)
+
+ # append it to menu
+ id = wx.NewId()
+ self.popUpMenu.Append(id, name, str(msg))
+ wx.EVT_MENU(self, id, self._back_to_bookmark)
+ state = self.state.clone_state()
+ comp_state = copy.deepcopy(self.state.state_list[str(compute_num)])
+ self.state.bookmark_list[self.bookmark_num] = [my_time, date,
+ state, comp_state]
+ self.state.toXML(self, doc=None, entry_node=None)
+
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="info"))
+ wx.PostEvent(self.parent,
+ AppendBookmarkEvent(title=name,
+ hint=str(msg),
+ handler=self._back_to_bookmark))
+
+ def _back_to_bookmark(self, event):
+ """
+ Bring the panel back to the state of bookmarked requested by
+ context menu event
+ and set it as a new state
+ """
+ self._manager.on_perspective(event)
+ menu = event.GetEventObject()
+ ## post help message for the selected model
+ msg = menu.GetHelpString(event.GetId())
+ msg += " reloaded"
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ name = menu.GetLabel(event.GetId())
+
+ num, _ = name.split(']')
+ current_state_num = self.state.state_num
+ self.get_bookmark_by_num(num)
+ state_num = int(current_state_num) + 1
+
+ self.state.saved_state['state_num'] = state_num
+ #copy.deepcopy(self.state.saved_state)
+ self.state.state_list[str(state_num)] = self.state.clone_state()
+ self.state.state_num = state_num
+
+ self._set_undo_flag(True)
+ self._info_bookmark_num(event)
+
+ def _info_bookmark_num(self, event=None):
+ """
+ print the bookmark number in info
+
+ : event: popUpMenu event
+ """
+ if event == None:
+ return
+ # get the object
+ menu = event.GetEventObject()
+ item = menu.FindItemById(event.GetId())
+ text = item.GetText()
+ num = text.split(']')[0]
+ msg = "bookmark num = %s " % num
+
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ def _info_state_num(self):
+ """
+ print the current state number in info
+ """
+ msg = "state num = "
+ msg += self.state.state_num
+
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+
+ def _get_time_stamp(self):
+ """
+ return time and date stings
+ """
+ # date and time
+ year, month, day, hour, minute, second, _, _, _ = \
+ time.localtime()
+ my_time = str(hour) + ":" + str(minute) + ":" + str(second)
+ date = str(month) + "/" + str(day) + "/" + str(year)
+ return my_time, date
+
+
+ def on_save(self, evt=None):
+ """
+ Save invariant state into a file
+ """
+ # Ask the user the location of the file to write to.
+ path = None
+ if self.parent != None:
+ self._default_save_location = self.parent.get_save_location()
+ if self._default_save_location == None:
+ self._default_save_location = os.getcwd()
+ dlg = wx.FileDialog(self, "Choose a file",
+ self._default_save_location, \
+ self.window_caption, "*.inv", wx.SAVE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ self._default_save_location = os.path.dirname(path)
+ if self.parent != None:
+ self.parent._default_save_location = \
+ self._default_save_location
+ else:
+ return None
+
+ dlg.Destroy()
+ # MAC always needs the extension for saving
+ extens = ".inv"
+ # Make sure the ext included in the file name
+ fName = os.path.splitext(path)[0] + extens
+ self._manager.save_file(filepath=fName, state=self.state)
+
+ def _show_message(self, mssg='', msg='Warning'):
+ """
+ Show warning message when resetting data
+ """
+ # no message for now
+ return True
+
+ def _reset_output(self):
+ """
+ clear outputs textcrtl
+ """
+ self.invariant_total_tcl.Clear()
+ self.invariant_total_err_tcl.Clear()
+ self.volume_tcl.Clear()
+ self.volume_err_tcl.Clear()
+ self.surface_tcl.Clear()
+ self.surface_err_tcl.Clear()
+ #prepare a new container to put result of invariant
+ self.inv_container = InvariantContainer()
+
+
+ def _on_context_menu(self, event):
+ """
+ On context menu
+ """
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+
+ self.PopupMenu(self.popUpMenu, pos)
+
+ def _define_structure(self):
+ """
+ Define main sizers needed for this panel
+ """
+ ## Box sizers must be defined first before
+ #defining buttons/textctrls (MAC).
+ self.main_sizer = wx.BoxSizer(wx.VERTICAL)
+ #Sizer related to outputs
+ outputs_box = wx.StaticBox(self, -1, "Outputs")
+ self.outputs_sizer = wx.StaticBoxSizer(outputs_box, wx.VERTICAL)
+ self.outputs_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ #Sizer related to data
+ data_name_box = wx.StaticBox(self, -1, "I(q) Data Source")
+ self.data_name_boxsizer = wx.StaticBoxSizer(data_name_box, wx.VERTICAL)
+ self.data_name_boxsizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ self.hint_msg_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.data_name_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.data_range_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ #Sizer related to inputs
+ self.sizer_input = wx.FlexGridSizer(2, 6, 0, 0)
+ #Sizer related to inputs
+ inputs_box = wx.StaticBox(self, -1, "Customized Inputs")
+ self.inputs_sizer = wx.StaticBoxSizer(inputs_box, wx.VERTICAL)
+ self.inputs_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ #Sizer related to extrapolation
+ extrapolation_box = wx.StaticBox(self, -1, "Extrapolation")
+ self.extrapolation_sizer = wx.StaticBoxSizer(extrapolation_box,
+ wx.VERTICAL)
+ self.extrapolation_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ self.extrapolation_range_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.extrapolation_low_high_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ #Sizer related to extrapolation at low q range
+ low_q_box = wx.StaticBox(self, -1, "Low Q")
+ self.low_extrapolation_sizer = wx.StaticBoxSizer(low_q_box, wx.VERTICAL)
+
+ self.low_q_sizer = wx.GridBagSizer(5, 5)
+ #Sizer related to extrapolation at low q range
+ high_q_box = wx.StaticBox(self, -1, "High Q")
+ self.high_extrapolation_sizer = wx.StaticBoxSizer(high_q_box,
+ wx.VERTICAL)
+ self.high_q_sizer = wx.GridBagSizer(5, 5)
+ #sizer to define outputs
+ self.volume_surface_sizer = wx.GridBagSizer(5, 5)
+ #Sizer related to invariant output
+ self.invariant_sizer = wx.GridBagSizer(5, 5)
+ #Sizer related to button
+ self.button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ self.button_sizer.SetMinSize((_STATICBOX_WIDTH, -1))
+ #Sizer related to save button
+ self.save_button_sizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ def _layout_data_name(self):
+ """
+ Draw widgets related to data's name
+ """
+ #Sizer hint
+ hint_msg = ""
+
+ self.hint_msg_txt = wx.StaticText(self, -1, hint_msg)
+ self.hint_msg_txt.SetForegroundColour("red")
+ msg = "Highlight = mouse the mouse's cursor on the data until"
+ msg += " the plot's color changes to yellow"
+ self.hint_msg_txt.SetToolTipString(msg)
+ self.hint_msg_sizer.Add(self.hint_msg_txt)
+ #Data name [string]
+ data_name_txt = wx.StaticText(self, -1, 'Name:')
+
+ self.data_name_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH * 4, 20),
+ style=0)
+ self.data_name_tcl.SetToolTipString("Data's name.")
+ self.data_name_sizer.AddMany([(data_name_txt, 0, wx.LEFT | wx.RIGHT, 10),
+ (self.data_name_tcl, 0, wx.EXPAND)])
+ #Data range [string]
+ data_range_txt = wx.StaticText(self, -1, 'Total Q Range (1/A): ')
+ data_min_txt = wx.StaticText(self, -1, 'Min : ')
+ self.data_min_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0, name='data_min_tcl')
+ self.data_min_tcl.SetToolTipString("The minimum value of q range.")
+ data_max_txt = wx.StaticText(self, -1, 'Max : ')
+ self.data_max_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0, name='data_max_tcl')
+ self.data_max_tcl.SetToolTipString("The maximum value of q range.")
+ self.data_range_sizer.AddMany([(data_range_txt, 0, wx.RIGHT, 5),
+ (data_min_txt, 0, wx.RIGHT, 5),
+ (self.data_min_tcl, 0, wx.RIGHT, 20),
+ (data_max_txt, 0, wx.RIGHT, 5),
+ (self.data_max_tcl, 0, wx.RIGHT, 10)])
+ self.data_name_boxsizer.AddMany([(self.hint_msg_sizer, 0, wx.ALL, 5),
+ (self.data_name_sizer, 0, wx.ALL, 10),
+ (self.data_range_sizer, 0, wx.ALL, 10)])
+
+ def _enable_fit_power_law_low(self, event=None):
+ """
+ Enable and disable the power value editing
+ """
+ if event != None:
+ self._set_bookmark_flag(True)
+ self._set_preview_flag(False)
+
+ if self.fix_enable_low.IsEnabled():
+
+ if self.fix_enable_low.GetValue():
+ self.fit_enable_low.SetValue(False)
+ self.power_low_tcl.Enable()
+ else:
+ self.fit_enable_low.SetValue(True)
+ self.power_low_tcl.Disable()
+ self._set_state(event=event)
+
+ def _enable_low_q_section(self, event=None):
+ """
+ Disable or enable some button if the user enable low q extrapolation
+ """
+ if event != None:
+ self._set_bookmark_flag(True)
+ self._set_preview_flag(False)
+
+ if self.enable_low_cbox.GetValue():
+ self.npts_low_tcl.Enable()
+ self.fix_enable_low.Enable()
+ self.fit_enable_low.Enable()
+ self.guinier.Enable()
+ self.power_law_low.Enable()
+
+ else:
+ self.npts_low_tcl.Disable()
+ self.fix_enable_low.Disable()
+ self.fit_enable_low.Disable()
+ self.guinier.Disable()
+ self.power_law_low.Disable()
+
+ self._enable_power_law_low()
+ self._enable_fit_power_law_low()
+ self._set_state(event=event)
+ self.button_calculate.SetFocus()
+
+ def _enable_power_law_low(self, event=None):
+ """
+ Enable editing power law section at low q range
+ """
+ if event != None:
+ self._set_bookmark_flag(True)
+ self._set_preview_flag(False)
+ if self.guinier.GetValue():
+ self.power_law_low.SetValue(False)
+ self.fix_enable_low.Disable()
+ self.fit_enable_low.Disable()
+ self.power_low_tcl.Disable()
+ else:
+ self.power_law_low.SetValue(True)
+ self.fix_enable_low.Enable()
+ self.fit_enable_low.Enable()
+ self.power_low_tcl.Enable()
+ self._enable_fit_power_law_low()
+ self._set_state(event=event)
+
+ def _layout_extrapolation_low(self):
+ """
+ Draw widgets related to extrapolation at low q range
+ """
+ self.enable_low_cbox = wx.CheckBox(self, -1,
+ "Enable Extrapolate Low Q",
+ name='enable_low_cbox')
+ wx.EVT_CHECKBOX(self, self.enable_low_cbox.GetId(),
+ self._enable_low_q_section)
+ self.fix_enable_low = wx.RadioButton(self, -1, 'Fix',
+ (10, 10), style=wx.RB_GROUP,
+ name='fix_enable_low')
+ self.Bind(wx.EVT_RADIOBUTTON, self._enable_fit_power_law_low,
+ id=self.fix_enable_low.GetId())
+ self.fit_enable_low = wx.RadioButton(self, -1, 'Fit', (10, 10),
+ name='fit_enable_low')
+ self.Bind(wx.EVT_RADIOBUTTON, self._enable_fit_power_law_low,
+ id=self.fit_enable_low.GetId())
+ self.guinier = wx.RadioButton(self, -1, 'Guinier',
+ (10, 10), style=wx.RB_GROUP,
+ name='guinier')
+ self.Bind(wx.EVT_RADIOBUTTON, self._enable_power_law_low,
+ id=self.guinier.GetId())
+ self.power_law_low = wx.RadioButton(self, -1, 'Power Law',
+ (10, 10), name='power_law_low')
+ self.Bind(wx.EVT_RADIOBUTTON, self._enable_power_law_low,
+ id=self.power_law_low.GetId())
+
+ npts_low_txt = wx.StaticText(self, -1, 'Npts')
+ self.npts_low_tcl = InvTextCtrl(self, -1,
+ size=(_BOX_WIDTH * 2 / 3, -1),
+ name='npts_low_tcl')
+ wx.EVT_TEXT(self, self.npts_low_tcl.GetId(), self._on_text)
+ msg_hint = "Number of Q points to consider"
+ msg_hint += "while extrapolating the low-Q region"
+ self.npts_low_tcl.SetToolTipString(msg_hint)
+ power_txt = wx.StaticText(self, -1, 'Power')
+ self.power_low_tcl = InvTextCtrl(self, -1, size=(_BOX_WIDTH * 2 / 3, -1),
+ name='power_low_tcl')
+ wx.EVT_TEXT(self, self.power_low_tcl.GetId(), self._on_text)
+
+ power_hint_txt = "Exponent to apply to the Power_law function."
+ self.power_low_tcl.SetToolTipString(power_hint_txt)
+ iy = 0
+ ix = 0
+ self.low_q_sizer.Add(self.enable_low_cbox, (iy, ix), (1, 5),
+ wx.TOP | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ ix = 0
+ self.low_q_sizer.Add(npts_low_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.low_q_sizer.Add(self.npts_low_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ self.low_q_sizer.Add(self.guinier, (iy, ix), (1, 2),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ ix = 0
+ self.low_q_sizer.Add(self.power_law_low, (iy, ix), (1, 2),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ # Parameter controls for power law
+ ix = 1
+ iy += 1
+ self.low_q_sizer.Add(self.fix_enable_low, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.low_q_sizer.Add(self.fit_enable_low, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix = 1
+ iy += 1
+ self.low_q_sizer.Add(power_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.low_q_sizer.Add(self.power_low_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.low_extrapolation_sizer.Add(self.low_q_sizer)
+
+ def _enable_fit_power_law_high(self, event=None):
+ """
+ Enable and disable the power value editing
+ """
+ if event != None:
+ self._set_bookmark_flag(True)
+
+ self._set_preview_flag(False)
+ if self.fix_enable_high.IsEnabled():
+ if self.fix_enable_high.GetValue():
+ self.fit_enable_high.SetValue(False)
+ self.power_high_tcl.Enable()
+ else:
+ self.fit_enable_high.SetValue(True)
+ self.power_high_tcl.Disable()
+ self._set_state(event=event)
+
+ def _enable_high_q_section(self, event=None):
+ """
+ Disable or enable some button if the user enable high q extrapolation
+ """
+ if event != None:
+ self._set_bookmark_flag(True)
+ self._set_preview_flag(False)
+ if self.enable_high_cbox.GetValue():
+ self.npts_high_tcl.Enable()
+ self.power_law_high.Enable()
+ self.power_high_tcl.Enable()
+ self.fix_enable_high.Enable()
+ self.fit_enable_high.Enable()
+ else:
+ self.npts_high_tcl.Disable()
+ self.power_law_high.Disable()
+ self.power_high_tcl.Disable()
+ self.fix_enable_high.Disable()
+ self.fit_enable_high.Disable()
+ self._enable_fit_power_law_high()
+ self._set_state(event=event)
+ self.button_calculate.SetFocus()
+
+ def _layout_extrapolation_high(self):
+ """
+ Draw widgets related to extrapolation at high q range
+ """
+ self.enable_high_cbox = wx.CheckBox(self, -1,
+ "Enable Extrapolate high-Q",
+ name='enable_high_cbox')
+ wx.EVT_CHECKBOX(self, self.enable_high_cbox.GetId(),
+ self._enable_high_q_section)
+ self.fix_enable_high = wx.RadioButton(self, -1, 'Fix',
+ (10, 10), style=wx.RB_GROUP,
+ name='fix_enable_high')
+ self.Bind(wx.EVT_RADIOBUTTON, self._enable_fit_power_law_high,
+ id=self.fix_enable_high.GetId())
+ self.fit_enable_high = wx.RadioButton(self, -1, 'Fit', (10, 10),
+ name='fit_enable_high')
+ self.Bind(wx.EVT_RADIOBUTTON, self._enable_fit_power_law_high,
+ id=self.fit_enable_high.GetId())
+
+ self.power_law_high = wx.StaticText(self, -1, 'Power Law')
+ msg_hint = "Check to extrapolate data at high-Q"
+ self.power_law_high.SetToolTipString(msg_hint)
+ npts_high_txt = wx.StaticText(self, -1, 'Npts')
+ self.npts_high_tcl = InvTextCtrl(self, -1, size=(_BOX_WIDTH * 2 / 3, -1),
+ name='npts_high_tcl')
+ wx.EVT_TEXT(self, self.npts_high_tcl.GetId(), self._on_text)
+ msg_hint = "Number of Q points to consider"
+ msg_hint += "while extrapolating the high-Q region"
+ self.npts_high_tcl.SetToolTipString(msg_hint)
+ power_txt = wx.StaticText(self, -1, 'Power')
+ self.power_high_tcl = InvTextCtrl(self, -1, size=(_BOX_WIDTH * 2 / 3, -1),
+ name='power_high_tcl')
+ wx.EVT_TEXT(self, self.power_high_tcl.GetId(), self._on_text)
+ power_hint_txt = "Exponent to apply to the Power_law function."
+ self.power_high_tcl.SetToolTipString(power_hint_txt)
+ iy = 0
+ ix = 0
+ self.high_q_sizer.Add(self.enable_high_cbox, (iy, ix), (1, 5),
+ wx.TOP | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ ix = 0
+ self.high_q_sizer.Add(npts_high_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.high_q_sizer.Add(self.npts_high_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ self.high_q_sizer.Add(self.power_law_high, (iy, ix), (1, 2),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ # Parameter controls for power law
+ ix = 1
+ iy += 1
+ self.high_q_sizer.Add(self.fix_enable_high, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ self.high_q_sizer.Add(self.fit_enable_high, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix = 1
+ iy += 1
+ self.high_q_sizer.Add(power_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.high_q_sizer.Add(self.power_high_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.high_extrapolation_sizer.Add(self.high_q_sizer, 0,
+ wx.BOTTOM, 20)
+
+ def _layout_extrapolation(self):
+ """
+ Draw widgets related to extrapolation
+ """
+ extra_hint = "Extrapolation \nMaximum Q Range [1/A]:"
+ extra_hint_txt = wx.StaticText(self, -1, extra_hint)
+ #Extrapolation range [string]
+ extrapolation_min_txt = wx.StaticText(self, -1, 'Min:')
+ self.extrapolation_min_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0,
+ name='extrapolation_min_tcl')
+ self.extrapolation_min_tcl.SetValue(str(Q_MINIMUM))
+ hint_msg = "The minimum extrapolated q value."
+ self.extrapolation_min_tcl.SetToolTipString(hint_msg)
+ extrapolation_max_txt = wx.StaticText(self, -1, 'Max:')
+ self.extrapolation_max_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20),
+ style=0,
+ name='extrapolation_max_tcl')
+ self.extrapolation_max_tcl.SetValue(str(Q_MAXIMUM))
+ hint_msg = "The maximum extrapolated q value."
+ self.extrapolation_max_tcl.SetToolTipString(hint_msg)
+ self.extrapolation_range_sizer.AddMany([(extra_hint_txt, 0,
+ wx.LEFT, 5),
+ (extrapolation_min_txt, 0,
+ wx.LEFT, 10),
+ (self.extrapolation_min_tcl,
+ 0, wx.LEFT, 5),
+ (extrapolation_max_txt, 0,
+ wx.LEFT, 20),
+ (self.extrapolation_max_tcl,
+ 0, wx.LEFT, 5)])
+ self._layout_extrapolation_low()
+ self._layout_extrapolation_high()
+ self.extrapolation_low_high_sizer.AddMany([(self.low_extrapolation_sizer,
+ 0, wx.LEFT | wx.BOTTOM | wx.TOP, 5),
+ (self.high_extrapolation_sizer,
+ 0, wx.LEFT | wx.BOTTOM | wx.TOP, 5)])
+ self.extrapolation_sizer.AddMany([(self.extrapolation_range_sizer),
+ (self.extrapolation_low_high_sizer)])
+
+ def _layout_volume_surface_sizer(self):
+ """
+ Draw widgets related to volume and surface
+ """
+ unit_volume = ''
+ unit_surface = '[1/A]'
+ uncertainty = "+/-"
+ volume_txt = wx.StaticText(self, -1, 'Volume Fraction')
+ self.volume_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1),
+ name='volume_tcl')
+ wx.EVT_TEXT(self, self.volume_tcl.GetId(), self._on_out_text)
+ self.volume_tcl.SetToolTipString("Volume fraction.")
+ self.volume_err_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1),
+ name='volume_err_tcl')
+ wx.EVT_TEXT(self, self.volume_err_tcl.GetId(), self._on_out_text)
+ hint_msg = "Uncertainty on the volume fraction."
+ self.volume_err_tcl.SetToolTipString(hint_msg)
+ volume_units_txt = wx.StaticText(self, -1, unit_volume)
+
+ surface_txt = wx.StaticText(self, -1, 'Specific Surface')
+ self.surface_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1),
+ name='surface_tcl')
+ wx.EVT_TEXT(self, self.surface_tcl.GetId(), self._on_out_text)
+ self.surface_tcl.SetToolTipString("Specific surface value.")
+ self.surface_err_tcl = OutputTextCtrl(self, -1, size=(_BOX_WIDTH, -1),
+ name='surface_err_tcl')
+ wx.EVT_TEXT(self, self.surface_err_tcl.GetId(), self._on_out_text)
+ hint_msg = "Uncertainty on the specific surface."
+ self.surface_err_tcl.SetToolTipString(hint_msg)
+ surface_units_txt = wx.StaticText(self, -1, unit_surface)
+ iy = 0
+ ix = 0
+ self.volume_surface_sizer.Add(volume_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.volume_surface_sizer.Add(self.volume_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 20)
+ ix += 1
+ self.volume_surface_sizer.Add(wx.StaticText(self, -1, uncertainty),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.volume_surface_sizer.Add(self.volume_err_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.volume_surface_sizer.Add(volume_units_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ iy += 1
+ ix = 0
+ self.volume_surface_sizer.Add(surface_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.volume_surface_sizer.Add(self.surface_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 20)
+ ix += 1
+ self.volume_surface_sizer.Add(wx.StaticText(self, -1, uncertainty),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.volume_surface_sizer.Add(self.surface_err_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.volume_surface_sizer.Add(surface_units_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ static_line = wx.StaticLine(self, -1)
+ iy += 1
+ ix = 0
+
+ def _layout_invariant_sizer(self):
+ """
+ Draw widgets related to invariant
+ """
+ uncertainty = "+/-"
+ unit_invariant = '[1/(cm*A^3)]'
+ invariant_total_txt = wx.StaticText(self, -1, 'Invariant Total [Q*]')
+ self.invariant_total_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1),
+ name='invariant_total_tcl')
+ msg_hint = "Total invariant [Q*], including extrapolated regions."
+ self.invariant_total_tcl.SetToolTipString(msg_hint)
+ self.invariant_total_err_tcl = OutputTextCtrl(self, -1,
+ size=(_BOX_WIDTH, -1),
+ name='invariant_total_err_tcl')
+ hint_msg = "Uncertainty on invariant."
+ self.invariant_total_err_tcl.SetToolTipString(hint_msg)
+ invariant_total_units_txt = wx.StaticText(self, -1, unit_invariant,
+ size=(80, -1))
+
+ #Invariant total
+ iy = 0
+ ix = 0
+ self.invariant_sizer.Add(invariant_total_txt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_total_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.invariant_sizer.Add(wx.StaticText(self, -1, uncertainty),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.invariant_sizer.Add(self.invariant_total_err_tcl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ ix += 1
+ self.invariant_sizer.Add(invariant_total_units_txt, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+
+ def _layout_inputs_sizer(self):
+ """
+ Draw widgets related to inputs
+ """
+ contrast_txt = wx.StaticText(self, -1, 'Contrast:')
+ self.contrast_tcl = InvTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0, name='contrast_tcl')
+ wx.EVT_TEXT(self, self.contrast_tcl.GetId(), self._on_text)
+ contrast_hint_txt = "Contrast"
+ self.contrast_tcl.SetToolTipString(contrast_hint_txt)
+ contrast_unit_txt = wx.StaticText(self, -1, '[1/A^2]', size=(40, -1))
+ porod_const_txt = wx.StaticText(self, -1,
+ 'Porod\nConstant:\n(optional)\n')
+ porod_unit_txt = wx.StaticText(self, -1, '[1/(cm*A^4)]', size=(80, -1))
+ self.porod_constant_tcl = InvTextCtrl(self, -1,
+ size=(_BOX_WIDTH, 20), style=0,
+ name='porod_constant_tcl')
+ wx.EVT_TEXT(self, self.porod_constant_tcl.GetId(), self._on_text)
+ porod_const_hint_txt = "Porod Constant"
+ self.porod_constant_tcl.SetToolTipString(porod_const_hint_txt)
+
+ background_txt = wx.StaticText(self, -1, 'Background:')
+ self.background_tcl = InvTextCtrl(self, -1, size=(_BOX_WIDTH, 20),
+ style=0, name='background_tcl')
+ wx.EVT_TEXT(self, self.background_tcl.GetId(), self._on_text)
+ background_hint_txt = "Background"
+ self.background_tcl.SetToolTipString(background_hint_txt)
+ background_unit_txt = wx.StaticText(self, -1, '[1/cm]')
+ scale_txt = wx.StaticText(self, -1, 'Scale:')
+ self.scale_tcl = InvTextCtrl(self, -1, size=(_BOX_WIDTH, 20), style=0,
+ name='scale_tcl')
+ wx.EVT_TEXT(self, self.scale_tcl.GetId(), self._on_text)
+ scale_hint_txt = "Scale"
+ self.scale_tcl.SetToolTipString(scale_hint_txt)
+ self.sizer_input.AddMany([(background_txt, 0, wx.LEFT | wx.BOTTOM, 5),
+ (self.background_tcl, 0, wx.LEFT | wx.BOTTOM, 5),
+ (background_unit_txt, 0, wx.LEFT | wx.BOTTOM, 5),
+ (scale_txt, 0, wx.LEFT | wx.BOTTOM, 10),
+ (self.scale_tcl, 0, wx.LEFT | wx.BOTTOM | wx.RIGHT, 5),
+ (10, 10),
+ (contrast_txt, 0, wx.LEFT | wx.BOTTOM, 5),
+ (self.contrast_tcl, 0, wx.LEFT | wx.BOTTOM, 5),
+ (contrast_unit_txt, 0, wx.LEFT | wx.BOTTOM, 5),
+ (porod_const_txt, 0, wx.LEFT, 10),
+ (self.porod_constant_tcl, 0, wx.LEFT | wx.BOTTOM | wx.RIGHT, 5),
+ (porod_unit_txt, 0, wx.LEFT | wx.BOTTOM, 5)])
+ self.inputs_sizer.Add(self.sizer_input)
+
+ def _layout_outputs_sizer(self):
+ """
+ Draw widgets related to outputs
+ """
+ self._layout_volume_surface_sizer()
+ self._layout_invariant_sizer()
+ static_line = wx.StaticLine(self, -1)
+ self.outputs_sizer.AddMany([(self.volume_surface_sizer,
+ 0, wx.TOP | wx.BOTTOM, 10),
+ (static_line, 0, wx.EXPAND, 0),
+ (self.invariant_sizer, 0, wx.TOP | wx.BOTTOM, 10)])
+ def _layout_button(self):
+ """
+ Do the layout for the button widgets
+ """
+ #compute button
+ id = wx.NewId()
+ self.button_calculate = wx.Button(self, id, "Compute",
+ name='compute_invariant')
+ self.button_calculate.SetToolTipString("Compute invariant")
+ self.Bind(wx.EVT_BUTTON, self.compute_invariant, id=id)
+ #detail button
+ id = wx.NewId()
+ self.button_details = wx.Button(self, id, "Details?")
+ hint_msg = "Get more details of computation such as fraction from extrapolation"
+ self.button_details.SetToolTipString(hint_msg)
+ self.Bind(wx.EVT_BUTTON, self.display_details, id=id)
+ #help button
+ id = wx.NewId()
+ self.button_help = wx.Button(self, id, "HELP")
+ self.button_help.SetToolTipString("Invariant Documentation")
+ self.Bind(wx.EVT_BUTTON, self.on_help, id=id)
+ self.button_sizer.AddMany([((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0),
+ (self.button_details, 0, wx.ALL, 10),
+ (self.button_calculate, 0,
+ wx.RIGHT | wx.TOP | wx.BOTTOM, 10),
+ (self.button_help, 0,
+ wx.RIGHT | wx.TOP | wx.BOTTOM, 10),])
+ def _do_layout(self):
+ """
+ Draw window content
+ """
+ self._define_structure()
+ self._layout_data_name()
+ self._layout_extrapolation()
+ self._layout_inputs_sizer()
+ self._layout_outputs_sizer()
+ self._layout_button()
+ self.main_sizer.AddMany([(self.data_name_boxsizer, 0, wx.ALL, 10),
+ (self.outputs_sizer, 0,
+ wx.LEFT | wx.RIGHT | wx.BOTTOM, 10),
+ (self.button_sizer, 0, wx.LEFT | wx.RIGHT, 15),
+ (self.inputs_sizer, 0,
+ wx.LEFT | wx.RIGHT | wx.BOTTOM, 10),
+ (self.extrapolation_sizer, 0,
+ wx.LEFT | wx.RIGHT | wx.BOTTOM, 10)])
+ self.SetSizer(self.main_sizer)
+ self.SetAutoLayout(True)
+
+ def on_help(self, event):
+ """
+ Bring up the Invariant Documentation whenever the HELP button is
+ clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/invariant/invariant_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "Invariant Help")
+
+
+class InvariantDialog(wx.Dialog):
+ """
+ Invariant Dialog
+ """
+ def __init__(self, parent=None, id=1, graph=None,
+ data=None, title="Invariant", base=None):
+ wx.Dialog.__init__(self, parent, id, title, size=(PANEL_WIDTH,
+ PANEL_HEIGHT))
+ self.panel = InvariantPanel(self)
+ self.Centre()
+ self.Show(True)
+
+class InvariantWindow(wx.Frame):
+ """
+ Invariant Window
+ """
+ def __init__(self, parent=None, id=1, graph=None,
+ data=None, title="Invariant", base=None):
+
+ wx.Frame.__init__(self, parent, id, title, size=(PANEL_WIDTH + 100,
+ PANEL_HEIGHT + 100))
+ from sas.sascalc.dataloader.loader import Loader
+ self.loader = Loader()
+ path = "C:/ECLPS/workspace/trunk/sasdataloader/test/ascii_test_3.txt"
+ data = self.loader.load(path)
+ self.panel = InvariantPanel(self)
+
+ data.name = data.filename
+ self.panel.set_data(data)
+ self.Centre()
+ self.Show(True)
+
+class MyApp(wx.App):
+ """
+ Test App
+ """
+ def OnInit(self):
+ """
+ Init
+ """
+ wx.InitAllImageHandlers()
+ frame = InvariantWindow()
+ frame.Show(True)
+ self.SetTopWindow(frame)
+
+ return True
+
+# end of class MyApp
+
+if __name__ == "__main__":
+ app = MyApp(0)
+ app.MainLoop()
diff --git a/src/sas/sasgui/perspectives/invariant/invariant_state.py b/src/sas/sasgui/perspectives/invariant/invariant_state.py
new file mode 100644
index 0000000..54d975b
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/invariant_state.py
@@ -0,0 +1,797 @@
+"""
+ State class for the invariant UI
+"""
+
+# import time
+import os
+import sys
+import logging
+import copy
+import sas.sascalc.dataloader
+# from xml.dom.minidom import parse
+from lxml import etree
+from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader
+from sas.sascalc.dataloader.readers.cansas_reader import get_content
+from sas.sasgui.guiframe.utils import format_number
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.guiframe.dataFitting import Data1D
+
+INVNODE_NAME = 'invariant'
+CANSAS_NS = "cansas1d/1.0"
+
+# default state
+DEFAULT_STATE = {'file': 'None',
+ 'compute_num':0,
+ 'state_num':0,
+ 'is_time_machine':False,
+ 'background_tcl':0.0,
+ 'scale_tcl':1.0,
+ 'contrast_tcl':1.0,
+ 'porod_constant_tcl':'',
+ 'npts_low_tcl':10,
+ 'npts_high_tcl':10,
+ 'power_high_tcl':4.0,
+ 'power_low_tcl': 4.0,
+ 'enable_high_cbox':False,
+ 'enable_low_cbox':False,
+ 'guinier': True,
+ 'power_law_high': False,
+ 'power_law_low': False,
+ 'fit_enable_high': False,
+ 'fit_enable_low': False,
+ 'fix_enable_high':True,
+ 'fix_enable_low':True,
+ 'volume_tcl':'',
+ 'volume_err_tcl':'',
+ 'surface_tcl':'',
+ 'surface_err_tcl':''}
+# list of states: This list will be filled as panel
+# init and the number of states increases
+state_list = {}
+bookmark_list = {}
+# list of input parameters (will be filled up on panel init) used by __str__
+input_list = {'background_tcl':0,
+ 'scale_tcl':0,
+ 'contrast_tcl':0,
+ 'porod_constant_tcl':'',
+ 'npts_low_tcl':0,
+ 'npts_high_tcl':0,
+ 'power_high_tcl':0,
+ 'power_low_tcl': 0}
+# list of output parameters (order sensitive) used by __str__
+output_list = [["qstar_low", "Q* from low Q extrapolation [1/(cm*A)]"],
+ ["qstar_low_err", "dQ* from low Q extrapolation"],
+ ["qstar_low_percent", "Q* percent from low Q extrapolation"],
+ ["qstar", "Q* from data [1/(cm*A)]"],
+ ["qstar_err", "dQ* from data"],
+ ["qstar_percent", "Q* percent from data"],
+ ["qstar_high", "Q* from high Q extrapolation [1/(cm*A)]"],
+ ["qstar_high_err", "dQ* from high Q extrapolation"],
+ ["qstar_high_percent", "Q* percent from low Q extrapolation"],
+ ["qstar_total", "total Q* [1/(cm*A)]"],
+ ["qstar_total_err", "total dQ*"],
+ ["volume", "volume fraction"],
+ ["volume_err", "volume fraction error"],
+ ["surface", "specific surface"],
+ ["surface_err", "specific surface error"]]
+
+
+
+class InvariantState(object):
+ """
+ Class to hold the state information of the InversionControl panel.
+ """
+ def __init__(self):
+ """
+ Default values
+ """
+ # Input
+ self.file = None
+ self.data = Data1D(x=[], y=[], dx=None, dy=None)
+ self.theory_lowQ = Data1D(x=[], y=[], dy=None)
+ self.theory_lowQ.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ self.theory_highQ = Data1D(x=[], y=[], dy=None)
+ self.theory_highQ.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ # self.is_time_machine = False
+ self.saved_state = DEFAULT_STATE
+ self.state_list = state_list
+ self.bookmark_list = bookmark_list
+ self.input_list = input_list
+ self.output_list = output_list
+
+ self.compute_num = 0
+ self.state_num = 0
+ self.timestamp = ('00:00:00', '00/00/0000')
+ self.container = None
+ # plot image
+ self.wximbmp = None
+ # report_html strings
+ import sas.sasgui.perspectives.invariant as invariant
+ path = invariant.get_data_path(media='media')
+ path_report_html = os.path.join(path, "report_template.html")
+ html_template = open(path_report_html, "r")
+ self.template_str = html_template.read()
+ self.report_str = self.template_str
+ # self.report_str_save = None
+ html_template.close()
+
+ def __str__(self):
+ """
+ Pretty print
+
+ : return: string representing the state
+ """
+ # Input string
+ compute_num = self.saved_state['compute_num']
+ compute_state = self.state_list[str(compute_num)]
+ my_time, date = self.timestamp
+ file_name = self.file
+
+ state_num = int(self.saved_state['state_num'])
+ state = "\n[Invariant computation for %s: " % file_name
+ state += "performed at %s on %s] \n" % (my_time, date)
+ state += "State No.: %d \n" % state_num
+ state += "\n=== Inputs ===\n"
+
+ # text ctl general inputs ( excluding extrapolation text ctl)
+ for key, value in self.input_list.iteritems():
+ if value == '':
+ continue
+ key_split = key.split('_')
+ max_ind = len(key_split) - 1
+ if key_split[max_ind] == 'tcl':
+ name = ""
+ if key_split[1] == 'low' or key_split[1] == 'high':
+ continue
+ for ind in range(0, max_ind):
+ name += " %s" % key_split[ind]
+ state += "%s: %s\n" % (name.lstrip(" "), value)
+
+ # other input parameters
+ extra_lo = compute_state['enable_low_cbox']
+ if compute_state['enable_low_cbox']:
+ if compute_state['guinier']:
+ extra_lo = 'Guinier'
+ else:
+ extra_lo = 'Power law'
+ extra_hi = compute_state['enable_high_cbox']
+ if compute_state['enable_high_cbox']:
+ extra_hi = 'Power law'
+ state += "\nExtrapolation: High=%s; Low=%s\n" % (extra_hi, extra_lo)
+ low_off = False
+ high_off = False
+ for key, value in self.input_list.iteritems():
+ key_split = key.split('_')
+ max_ind = len(key_split) - 1
+ if key_split[max_ind] == 'tcl':
+ name = ""
+ # check each buttons whether or not ON or OFF
+ if key_split[1] == 'low' or key_split[1] == 'high':
+ if not compute_state['enable_low_cbox'] and \
+ key_split[max_ind - 1] == 'low':
+ low_off = True
+ continue
+ elif not compute_state['enable_high_cbox'] and \
+ key_split[max_ind - 1] == 'high':
+ high_off = True
+ continue
+ elif extra_lo == 'Guinier' and key_split[0] == 'power' and \
+ key_split[max_ind - 1] == 'low':
+ continue
+ for ind in range(0, max_ind):
+ name += " %s" % key_split[ind]
+ name = name.lstrip(" ")
+ if name == "power low":
+ if compute_state['fix_enable_low']:
+ name += ' (Fixed)'
+ else:
+ name += ' (Fitted)'
+ if name == "power high":
+ if compute_state['fix_enable_high']:
+ name += ' (Fixed)'
+ else:
+ name += ' (Fitted)'
+ state += "%s: %s\n" % (name, value)
+ # Outputs
+ state += "\n=== Outputs ==="
+ for item in output_list:
+ item_split = item[0].split('_')
+ # Exclude the extrapolation that turned off
+ if len(item_split) > 1:
+ if low_off and item_split[1] == 'low':
+ continue
+ if high_off and item_split[1] == 'high':
+ continue
+ max_ind = len(item_split) - 1
+ value = None
+ if hasattr(self.container, item[0]):
+ # Q* outputs
+ value = getattr(self.container, item[0])
+ else:
+ # other outputs than Q*
+ name = item[0] + "_tcl"
+ if name in self.saved_state.keys():
+ value = self.saved_state[name]
+
+ # Exclude the outputs w/''
+ if value == '':
+ continue
+ # Error outputs
+ if item_split[max_ind] == 'err':
+ state += "+- %s " % format_number(value)
+ # Percentage outputs
+ elif item_split[max_ind] == 'percent':
+ value = float(value) * 100
+ state += "(%s %s)" % (format_number(value), '%')
+ # Outputs
+ else:
+ state += "\n%s: %s " % (item[1],
+ format_number(value, high=True))
+ # Include warning msg
+ if self.container is not None:
+ state += "\n\nNote:\n" + self.container.warning_msg
+ return state
+
+ def clone_state(self):
+ """
+ deepcopy the state
+ """
+ return copy.deepcopy(self.saved_state)
+
+ def toXML(self, file="inv_state.inv", doc=None, entry_node=None):
+ """
+ Writes the state of the InversionControl panel to file, as XML.
+
+ Compatible with standalone writing, or appending to an
+ already existing XML document. In that case, the XML document
+ is required. An optional entry node in the XML document
+ may also be given.
+
+ : param file: file to write to
+ : param doc: XML document object [optional]
+ : param entry_node: XML node within the document at which we will append the data [optional]
+ """
+ # TODO: Get this to work
+ from xml.dom.minidom import getDOMImplementation
+ import time
+ timestamp = time.time()
+ # Check whether we have to write a standalone XML file
+ if doc is None:
+ impl = getDOMImplementation()
+
+ doc_type = impl.createDocumentType(INVNODE_NAME, "1.0", "1.0")
+
+ newdoc = impl.createDocument(None, INVNODE_NAME, doc_type)
+ top_element = newdoc.documentElement
+ else:
+ # We are appending to an existing document
+ newdoc = doc
+ top_element = newdoc.createElement(INVNODE_NAME)
+ if entry_node is None:
+ newdoc.documentElement.appendChild(top_element)
+ else:
+ entry_node.appendChild(top_element)
+
+ attr = newdoc.createAttribute("version")
+ attr.nodeValue = '1.0'
+ top_element.setAttributeNode(attr)
+
+ # File name
+ element = newdoc.createElement("filename")
+ if self.file != None and self.file != '':
+ element.appendChild(newdoc.createTextNode(str(self.file)))
+ else:
+ element.appendChild(newdoc.createTextNode(str(file)))
+ top_element.appendChild(element)
+
+ element = newdoc.createElement("timestamp")
+ element.appendChild(newdoc.createTextNode(time.ctime(timestamp)))
+ attr = newdoc.createAttribute("epoch")
+ attr.nodeValue = str(timestamp)
+ element.setAttributeNode(attr)
+ top_element.appendChild(element)
+
+ # Current state
+ state = newdoc.createElement("state")
+ top_element.appendChild(state)
+
+ for name, value in self.saved_state.iteritems():
+ element = newdoc.createElement(str(name))
+ element.appendChild(newdoc.createTextNode(str(value)))
+ state.appendChild(element)
+
+ # State history list
+ history = newdoc.createElement("history")
+ top_element.appendChild(history)
+
+ for name, value in self.state_list.iteritems():
+ history_element = newdoc.createElement('state_' + str(name))
+ for state_name, state_value in value.iteritems():
+ state_element = newdoc.createElement(str(state_name))
+ child = newdoc.createTextNode(str(state_value))
+ state_element.appendChild(child)
+ history_element.appendChild(state_element)
+ # history_element.appendChild(state_list_element)
+ history.appendChild(history_element)
+
+ # Bookmarks bookmark_list[self.bookmark_num] = [\
+ # my_time,date,state,comp_state]
+ bookmark = newdoc.createElement("bookmark")
+ top_element.appendChild(bookmark)
+ item_list = ['time', 'date', 'state', 'comp_state']
+ for name, value_list in self.bookmark_list.iteritems():
+ element = newdoc.createElement('mark_' + str(name))
+ _, date, state, comp_state = value_list
+ time_element = newdoc.createElement('time')
+ time_element.appendChild(newdoc.createTextNode(str(value_list[0])))
+ date_element = newdoc.createElement('date')
+ date_element.appendChild(newdoc.createTextNode(str(value_list[1])))
+ state_list_element = newdoc.createElement('state')
+ comp_state_list_element = newdoc.createElement('comp_state')
+ for state_name, state_value in value_list[2].iteritems():
+ state_element = newdoc.createElement(str(state_name))
+ child = newdoc.createTextNode(str(state_value))
+ state_element.appendChild(child)
+ state_list_element.appendChild(state_element)
+ for comp_name, comp_value in value_list[3].iteritems():
+ comp_element = newdoc.createElement(str(comp_name))
+ comp_element.appendChild(newdoc.createTextNode(str(comp_value)))
+ comp_state_list_element.appendChild(comp_element)
+ element.appendChild(time_element)
+ element.appendChild(date_element)
+ element.appendChild(state_list_element)
+ element.appendChild(comp_state_list_element)
+ bookmark.appendChild(element)
+
+ # Save the file
+ if doc is None:
+ fd = open('test000', 'w')
+ fd.write(newdoc.toprettyxml())
+ fd.close()
+ return None
+ else:
+ return newdoc
+
+ def fromXML(self, file=None, node=None):
+ """
+ Load invariant states from a file
+
+ : param file: .inv file
+ : param node: node of a XML document to read from
+ """
+ if file is not None:
+ msg = "InvariantSate no longer supports non-CanSAS"
+ msg += " format for invariant files"
+ raise RuntimeError, msg
+
+ if node.get('version')\
+ and node.get('version') == '1.0':
+
+ # Get file name
+ entry = get_content('ns:filename', node)
+ if entry is not None:
+ file_name = entry.text.strip()
+
+ # Get time stamp
+ entry = get_content('ns:timestamp', node)
+ if entry is not None and entry.get('epoch'):
+ try:
+ timestamp = (entry.get('epoch'))
+ except:
+ msg = "InvariantSate.fromXML: Could not read"
+ msg += " timestamp\n %s" % sys.exc_value
+ logging.error(msg)
+
+ # Parse bookmarks
+ entry_bookmark = get_content('ns:bookmark', node)
+
+ for ind in range(1, len(entry_bookmark) + 1):
+ temp_state = {}
+ temp_bookmark = {}
+ entry = get_content('ns:mark_%s' % ind, entry_bookmark)
+
+ if entry is not None:
+ my_time = get_content('ns:time', entry)
+ val_time = str(my_time.text.strip())
+ date = get_content('ns:date', entry)
+ val_date = str(date.text.strip())
+ state_entry = get_content('ns:state', entry)
+ for item in DEFAULT_STATE:
+ input_field = get_content('ns:%s' % item, state_entry)
+ val = str(input_field.text.strip())
+ if input_field is not None:
+ temp_state[item] = val
+ comp_entry = get_content('ns:comp_state', entry)
+
+ for item in DEFAULT_STATE:
+ input_field = get_content('ns:%s' % item, comp_entry)
+ val = str(input_field.text.strip())
+ if input_field is not None:
+ temp_bookmark[item] = val
+ try:
+ self.bookmark_list[ind] = [val_time, val_date, temp_state, temp_bookmark]
+ except:
+ raise "missing components of bookmarks..."
+ # Parse histories
+ entry_history = get_content('ns:history', node)
+
+ for ind in range(0, len(entry_history)):
+ temp_state = {}
+ entry = get_content('ns:state_%s' % ind, entry_history)
+
+ if entry is not None:
+ for item in DEFAULT_STATE:
+ input_field = get_content('ns:%s' % item, entry)
+ if input_field.text is not None:
+ val = str(input_field.text.strip())
+ else:
+ val = ''
+ if input_field is not None:
+ temp_state[item] = val
+ self.state_list[str(ind)] = temp_state
+
+ # Parse current state (ie, saved_state)
+ entry = get_content('ns:state', node)
+ if entry is not None:
+ for item in DEFAULT_STATE:
+ input_field = get_content('ns:%s' % item, entry)
+ if input_field.text is not None:
+ val = str(input_field.text.strip())
+ else:
+ val = ''
+ if input_field is not None:
+ self.set_saved_state(name=item, value=val)
+ self.file = file_name
+
+ def set_report_string(self):
+ """
+ Get the values (strings) from __str__ for report
+ """
+ strings = self.__str__()
+
+ # default string values
+ for num in range(1, 19):
+ exec "s_%s = 'NA'" % str(num)
+ lines = strings.split('\n')
+ # get all string values from __str__()
+ for line in range(0, len(lines)):
+ if line == 1:
+ s_1 = lines[1]
+ elif line == 2:
+ s_2 = lines[2]
+ else:
+ item = lines[line].split(':')
+ item[0] = item[0].strip()
+ if item[0] == "scale":
+ s_3 = item[1]
+ elif item[0] == "porod constant":
+ s_4 = item[1]
+ elif item[0] == "background":
+ s_5 = item[1]
+ elif item[0] == "contrast":
+ s_6 = item[1]
+ elif item[0] == "Extrapolation":
+ extra = item[1].split(";")
+ bool_0 = extra[0].split("=")
+ bool_1 = extra[1].split("=")
+ s_8 = " " + bool_0[0] + "Q region = " + bool_0[1]
+ s_7 = " " + bool_1[0] + "Q region = " + bool_1[1]
+ elif item[0] == "npts low":
+ s_9 = item[1]
+ elif item[0] == "npts high":
+ s_10 = item[1]
+ elif item[0] == "volume fraction":
+ val = item[1].split("+-")[0].strip()
+ error = item[1].split("+-")[1].strip()
+ s_17 = val + " ± " + error
+ elif item[0] == "specific surface":
+ val = item[1].split("+-")[0].strip()
+ error = item[1].split("+-")[1].strip()
+ s_18 = val + " ± " + error
+ elif item[0].split("(")[0].strip() == "power low":
+ s_11 = item[0] + " =" + item[1]
+ elif item[0].split("(")[0].strip() == "power high":
+ s_12 = item[0] + " =" + item[1]
+ elif item[0].split("[")[0].strip() == "Q* from low Q extrapolation":
+ # looks messy but this way the symbols +_ and % work on html
+ val = item[1].split("+-")[0].strip()
+ error = item[1].split("+-")[1].strip()
+ err = error.split("%")[0].strip()
+ percent = error.split("%")[1].strip()
+ s_13 = val + " ± " + err + "%" + percent
+ elif item[0].split("[")[0].strip() == "Q* from data":
+ val = item[1].split("+-")[0].strip()
+ error = item[1].split("+-")[1].strip()
+ err = error.split("%")[0].strip()
+ percent = error.split("%")[1].strip()
+ s_14 = val + " ± " + err + "%" + percent
+ elif item[0].split("[")[0].strip() == "Q* from high Q extrapolation":
+ val = item[1].split("+-")[0].strip()
+ error = item[1].split("+-")[1].strip()
+ err = error.split("%")[0].strip()
+ percent = error.split("%")[1].strip()
+ s_15 = val + " ± " + err + "%" + percent
+ elif item[0].split("[")[0].strip() == "total Q*":
+ val = item[1].split("+-")[0].strip()
+ error = item[1].split("+-")[1].strip()
+ s_16 = val + " ± " + error
+ else:
+ continue
+
+ s_1 = self._check_html_format(s_1)
+ file_name = self._check_html_format(self.file)
+
+ # make plot image
+ self.set_plot_state(extra_high=bool_0[1], extra_low=bool_1[1])
+ # get ready for report with setting all the html strings
+ self.report_str = str(self.template_str) % (s_1, s_2,
+ s_3, s_4, s_5, s_6, s_7, s_8,
+ s_9, s_10, s_11, s_12, s_13, s_14, s_15,
+ s_16, s_17, s_18, file_name, "%s")
+
+ def _check_html_format(self, name):
+ """
+ Check string '%' for html format
+ """
+ if name.count('%'):
+ name = name.replace('%', '%')
+
+ return name
+
+ def set_saved_state(self, name, value):
+ """
+ Set the state list
+
+ : param name: name of the state component
+ : param value: value of the state component
+ """
+ rb_list = [['power_law_low', 'guinier'],
+ ['fit_enable_low', 'fix_enable_low'],
+ ['fit_enable_high', 'fix_enable_high']]
+
+ self.name = value
+ self.saved_state[name] = value
+ # set the count part of radio button clicked
+ # False for the saved_state
+ for title, content in rb_list:
+ if name == title:
+ name = content
+ value = False
+ elif name == content:
+ name = title
+ value = False
+ self.saved_state[name] = value
+ self.state_num = self.saved_state['state_num']
+
+ def set_plot_state(self, extra_high=False, extra_low=False):
+ """
+ Build image state that wx.html understand
+ by plotting, putting it into wx.FileSystem image object
+
+ : extrap_high,extra_low: low/high extrapolations
+ are possible extra-plots
+ """
+ # some imports
+ import wx
+ import matplotlib.pyplot as plt
+ from matplotlib.backends.backend_agg import FigureCanvasAgg
+
+ # we use simple plot, not plotpanel
+ # make matlab figure
+ fig = plt.figure()
+ fig.set_facecolor('w')
+ graph = fig.add_subplot(111)
+
+ # data plot
+ graph.errorbar(self.data.x, self.data.y, yerr=self.data.dy, fmt='o')
+ # low Q extrapolation fit plot
+ if not extra_low == 'False':
+ graph.plot(self.theory_lowQ.x, self.theory_lowQ.y)
+ # high Q extrapolation fit plot
+ if not extra_high == 'False':
+ graph.plot(self.theory_highQ.x, self.theory_highQ.y)
+ graph.set_xscale("log", nonposx='clip')
+ graph.set_yscale("log", nonposy='clip')
+ graph.set_xlabel('$\\rm{Q}(\\AA^{-1})$', fontsize=12)
+ graph.set_ylabel('$\\rm{Intensity}(cm^{-1})$', fontsize=12)
+ canvas = FigureCanvasAgg(fig)
+ # actually make image
+ canvas.draw()
+
+ # make python.Image object
+ # size
+ w, h = canvas.get_width_height()
+ # convert to wx.Image
+ wximg = wx.EmptyImage(w, h)
+ # wxim.SetData(img.convert('RGB').tostring() )
+ wximg.SetData(canvas.tostring_rgb())
+ # get the dynamic image for the htmlwindow
+ wximgbmp = wx.BitmapFromImage(wximg)
+ # store the image in wx.FileSystem Object
+ wx.FileSystem.AddHandler(wx.MemoryFSHandler())
+ # use wx.MemoryFSHandler
+ self.imgRAM = wx.MemoryFSHandler()
+ # AddFile, image can be retrieved with 'memory:filename'
+ self.imgRAM.AddFile('img_inv.png', wximgbmp, wx.BITMAP_TYPE_PNG)
+
+ self.wximgbmp = 'memory:img_inv.png'
+ self.image = fig
+
+class Reader(CansasReader):
+ """
+ Class to load a .inv invariant file
+ """
+ # # File type
+ type_name = "Invariant"
+
+ # # Wildcards
+ type = ["Invariant file (*.inv)|*.inv",
+ "SASView file (*.svs)|*.svs"]
+ # # List of allowed extensions
+ ext = ['.inv', '.INV', '.svs', 'SVS']
+
+ def __init__(self, call_back, cansas=True):
+ """
+ Initialize the call-back method to be called
+ after we load a file
+
+ : param call_back: call-back method
+ : param cansas: True = files will be written/read in CanSAS format
+ False = write CanSAS format
+ """
+ # # Call back method to be executed after a file is read
+ self.call_back = call_back
+ # # CanSAS format flag
+ self.cansas = cansas
+ self.state = None
+
+ def read(self, path):
+ """
+ Load a new invariant state from file
+
+ : param path: file path
+ : return: None
+ """
+ if self.cansas == True:
+ return self._read_cansas(path)
+ else:
+ return self._read_standalone(path)
+
+ def _read_standalone(self, path):
+ """
+ Load a new invariant state from file.
+ The invariant node is assumed to be the top element.
+
+ : param path: file path
+ : return: None
+ """
+ # Read the new state from file
+ state = InvariantState()
+
+ state.fromXML(file=path)
+
+ # Call back to post the new state
+ self.call_back(state)
+ return None
+
+ def _parse_state(self, entry):
+ """
+ Read an invariant result from an XML node
+
+ : param entry: XML node to read from
+ : return: InvariantState object
+ """
+ state = None
+ # Locate the invariant node
+ try:
+ nodes = entry.xpath('ns:%s' % INVNODE_NAME,
+ namespaces={'ns': CANSAS_NS})
+ # Create an empty state
+ if nodes != []:
+ state = InvariantState()
+ state.fromXML(node=nodes[0])
+ except:
+ msg = "XML document does not contain invariant"
+ msg += " information.\n %s" % sys.exc_value
+ logging.info(msg)
+ return state
+
+ def _read_cansas(self, path):
+ """
+ Load data and invariant information from a CanSAS XML file.
+
+ : param path: file path
+ : return: Data1D object if a single SASentry was found,
+ or a list of Data1D objects if multiple entries were found,
+ or None of nothing was found
+ : raise RuntimeError: when the file can't be opened
+ : raise ValueError: when the length of the data vectors are inconsistent
+ """
+ output = []
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ root, extension = os.path.splitext(basename)
+
+ if extension.lower() in self.ext or \
+ extension.lower() == '.xml':
+ tree = etree.parse(path, parser=etree.ETCompatXMLParser())
+
+ # Check the format version number
+ # Specifying the namespace will take care of
+ # the file format version
+ root = tree.getroot()
+
+ entry_list = root.xpath('/ns:SASroot/ns:SASentry',
+ namespaces={'ns': CANSAS_NS})
+
+ for entry in entry_list:
+
+ sas_entry, _ = self._parse_entry(entry)
+ invstate = self._parse_state(entry)
+
+ # invstate could be None when .svs file is loaded
+ # in this case, skip appending to output
+ if invstate != None:
+ sas_entry.meta_data['invstate'] = invstate
+ sas_entry.filename = invstate.file
+ output.append(sas_entry)
+ else:
+ raise RuntimeError, "%s is not a file" % path
+
+ # Return output consistent with the loader's api
+ if len(output) == 0:
+ return None
+ elif len(output) == 1:
+ # Call back to post the new state
+ self.state = output[0].meta_data['invstate']
+ self.call_back(state=output[0].meta_data['invstate'],
+ datainfo=output[0])
+ return output[0]
+ else:
+ return output
+
+ def get_state(self):
+ return self.state
+
+ def write(self, filename, datainfo=None, invstate=None):
+ """
+ Write the content of a Data1D as a CanSAS XML file
+
+ : param filename: name of the file to write
+ : param datainfo: Data1D object
+ : param invstate: InvariantState object
+ """
+ # Sanity check
+ if self.cansas == True:
+ doc = self.write_toXML(datainfo, invstate)
+ # Write the XML document
+ fd = open(filename, 'w')
+ fd.write(doc.toprettyxml())
+ fd.close()
+ else:
+ invstate.toXML(file=filename)
+
+ def write_toXML(self, datainfo=None, state=None):
+ """
+ Write toXML, a helper for write()
+
+ : return: xml doc
+ """
+ if datainfo is None:
+ datainfo = sas.sascalc.dataloader.data_info.Data1D(x=[], y=[])
+ elif not issubclass(datainfo.__class__, sas.sascalc.dataloader.data_info.Data1D):
+ msg = "The cansas writer expects a Data1D"
+ msg += " instance: %s" % str(datainfo.__class__.__name__)
+ raise RuntimeError, msg
+ # make sure title and data run is filled up.
+ if datainfo.title == None or datainfo.title == '':
+ datainfo.title = datainfo.name
+ if datainfo.run_name == None or datainfo.run_name == {}:
+ datainfo.run = [str(datainfo.name)]
+ datainfo.run_name[0] = datainfo.name
+ # Create basic XML document
+ doc, sasentry = self._to_xml_doc(datainfo)
+ # Add the invariant information to the XML document
+ if state is not None:
+ doc = state.toXML(datainfo.name, doc=doc, entry_node=sasentry)
+ return doc
diff --git a/src/sas/sasgui/perspectives/invariant/invariant_widgets.py b/src/sas/sasgui/perspectives/invariant/invariant_widgets.py
new file mode 100644
index 0000000..c95aa1b
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/invariant_widgets.py
@@ -0,0 +1,165 @@
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txt
+#
+# copyright 2009, University of Tennessee
+################################################################################
+
+import wx
+from wx.lib.scrolledpanel import ScrolledPanel
+
+WIDTH = 400
+HEIGHT = 350
+
+class DialogPanel(ScrolledPanel):
+ def __init__(self, *args, **kwds):
+ ScrolledPanel.__init__(self, *args, **kwds)
+ self.SetupScrolling()
+
+class InvTextCtrl(wx.TextCtrl):
+ """
+ Text control for model and fit parameters.
+ Binds the appropriate events for user interactions.
+ """
+ def __init__(self, *args, **kwds):
+ wx.TextCtrl.__init__(self, *args, **kwds)
+ # # Set to True when the mouse is clicked while
+ # the whole string is selected
+ self.full_selection = False
+ # # Call back for EVT_SET_FOCUS events
+ _on_set_focus_callback = None
+
+ # Bind appropriate events
+ self.Bind(wx.EVT_LEFT_UP, self._highlight_text)
+ self.Bind(wx.EVT_SET_FOCUS, self._on_set_focus)
+
+ def _on_set_focus(self, event):
+ """
+ Catch when the text control is set in focus to highlight the whole
+ text if necessary
+
+ :param event: mouse event
+ """
+ event.Skip()
+ self.full_selection = True
+
+ def _highlight_text(self, event):
+ """
+ Highlight text of a TextCtrl only of no text has be selected
+
+ :param event: mouse event
+ """
+ # Make sure the mouse event is available to other listeners
+ event.Skip()
+ control = event.GetEventObject()
+ if self.full_selection:
+ self.full_selection = False
+ # Check that we have a TextCtrl
+ if issubclass(control.__class__, wx.TextCtrl):
+ # Check whether text has been selected,
+ # if not, select the whole string
+ (start, end) = control.GetSelection()
+ if start == end:
+ control.SetSelection(-1, -1)
+
+
+class OutputTextCtrl(wx.TextCtrl):
+ """
+ Text control used to display outputs.
+ No editing allowed. The background is
+ grayed out. User can't select text.
+ """
+ def __init__(self, *args, **kwds):
+ wx.TextCtrl.__init__(self, *args, **kwds)
+ self.SetEditable(False)
+ self.SetBackgroundColour(self.GetParent().GetBackgroundColour())
+
+ # Bind to mouse event to avoid text highlighting
+ # The event will be skipped once the call-back
+ # is called.
+
+ self.Bind(wx.EVT_MOUSE_EVENTS, self._click)
+
+
+ def _click(self, event):
+ """
+ Prevent further handling of the mouse event
+ by not calling Skip().
+ """
+ pass
+
+class DataDialog(wx.Dialog):
+ """
+ Allow file selection at loading time
+ """
+ def __init__(self, data_list, parent=None, text='', *args, **kwds):
+ kwds['size'] = (WIDTH, HEIGHT)
+ kwds['title'] = "Data Selection"
+ wx.Dialog.__init__(self, parent, *args, **kwds)
+ self.list_of_ctrl = []
+ self._sizer_main = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_txt = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ self._choice_sizer = wx.GridBagSizer(5, 5)
+ self._panel = DialogPanel(self, style=wx.RAISED_BORDER,
+ size=(WIDTH - 20, HEIGHT / 3))
+ self.SetSizer(self._sizer_main)
+ self.__do_layout(data_list, text=text)
+ self.Layout()
+
+ def __do_layout(self, data_list, text=''):
+ """
+ layout the dialog
+ """
+ # add text
+ if text.strip() == "":
+ text = "This Perspective does not allow multiple data !\n"
+ text += "Please select only one Data.\n"
+ text_ctrl = wx.TextCtrl(self, -1, str(text), style=wx.TE_MULTILINE,
+ size=(-1, HEIGHT / 3))
+ text_ctrl.SetEditable(False)
+ self._sizer_txt.Add(text_ctrl, 1, wx.EXPAND | wx.ALL, 10)
+ iy = 0
+ ix = 0
+ rbox = wx.RadioButton(self._panel, -1, str(data_list[0].name),
+ (10, 10), style=wx.RB_GROUP)
+ rbox.SetValue(True)
+ self.list_of_ctrl.append((rbox, data_list[0]))
+ self._choice_sizer.Add(rbox, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ for i in range(1, len(data_list)):
+ iy += 1
+ rbox = wx.RadioButton(self._panel, -1,
+ str(data_list[i].name), (10, 10))
+ rbox.SetValue(False)
+ self.list_of_ctrl.append((rbox, data_list[i]))
+ self._choice_sizer.Add(rbox, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ self._panel.SetSizer(self._choice_sizer)
+ # add sizer
+ self._sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+ self._sizer_button.Add(button_cancel, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ button_OK = wx.Button(self, wx.ID_OK, "Ok")
+ button_OK.SetFocus()
+ self._sizer_button.Add(button_OK, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ static_line = wx.StaticLine(self, -1)
+
+ self._sizer_txt.Add(self._panel, 0, wx.EXPAND | wx.ALL, 5)
+ self._sizer_main.Add(self._sizer_txt, 0, wx.EXPAND | wx.ALL, 5)
+ self._sizer_main.Add(static_line, 0, wx.EXPAND, 0)
+ self._sizer_main.Add(self._sizer_button, 0, wx.EXPAND | wx.ALL, 10)
+
+ def get_data(self):
+ """
+ return the selected data
+ """
+ for item in self.list_of_ctrl:
+ rbox, data = item
+ if rbox.GetValue():
+ return data
diff --git a/src/sas/sasgui/perspectives/invariant/media/bookmark.png b/src/sas/sasgui/perspectives/invariant/media/bookmark.png
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diff --git a/src/sas/sasgui/perspectives/invariant/media/image005.gif b/src/sas/sasgui/perspectives/invariant/media/image005.gif
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diff --git a/src/sas/sasgui/perspectives/invariant/media/invariant_help.rst b/src/sas/sasgui/perspectives/invariant/media/invariant_help.rst
new file mode 100644
index 0000000..458881a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/media/invariant_help.rst
@@ -0,0 +1,122 @@
+.. invariant_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+Invariant Calculation
+=====================
+
+Description
+-----------
+
+The scattering, or Porod, invariant (Q*\) is a model-independent quantity that
+can be easily calculated from scattering data.
+
+For two phase systems, the scattering invariant is defined as the integral of
+the square of the wave transfer (Q) multiplied by the scattering cross section
+over the full range of Q from zero to infinity, that is
+
+.. image:: image001.gif
+
+where *g = q* for pinhole geometry (SAS) and *g = q*\ :sub:`v` (the slit height) for
+slit geometry (USAS).
+
+The worth of Q*\ is that it can be used to determine the volume fraction and
+the specific area of a sample. Whilst these quantities are useful in their own
+right they can also be used in further analysis.
+
+The difficulty with using Q*\ arises from the fact that experimental data is
+never measured over the range 0 =< *Q* =< infinity. At best, combining USAS and
+WAS data might cover the range 1e-5 =< *Q* =< 10 1/\ |Ang| . Thus it is usually
+necessary to extrapolate the experimental data to low and high *Q*. For this
+
+High-*Q* region (>= *Qmax* in data)
+
+* The power law function *C*/*Q*\ :sup:`4` is used where the constant
+ *C* (= 2.\ |pi|\ .(\ |bigdelta|\ |rho|\ ).\ *Sv*\ ) is to be found by fitting part of data
+ within the range *Q*\ :sub:`N-m` to *Q*\ :sub:`N` (where m < N).
+
+Low-*Q* region (<= *Qmin* in data)
+
+* The Guinier function *I0.exp(-Rg*\ :sup:`2`\ *Q*\ :sup:`2`\ */3)* where *I0*
+ and *Rg* are obtained by fitting as for the high-*Q* region above.
+ Alternatively a power law can be used.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using invariant analysis
+------------------------
+
+1) Select *Invariant* from the *Analysis* menu on the SasView toolbar.
+
+2) Load some data with the *Data Explorer*.
+
+3) Select a dataset and use the *Send To* button on the *Data Explorer* to load
+ the dataset into the *Invariant* panel.
+
+4) Use the *Customised Input* boxes on the *Invariant* panel to subtract
+ any background, specify the contrast (i.e. difference in SLDs - this must be
+ specified for the eventual value of Q*\ to be on an absolute scale), or to
+ rescale the data.
+
+5) Adjust the extrapolation range as necessary. In most cases the default
+ values will suffice.
+
+6) Click the *Compute* button.
+
+7) To include a lower and/or higher Q range, check the relevant *Enable
+ Extrapolate* check boxes.
+
+ If power law extrapolations are chosen, the exponent can be either held
+ fixed or fitted. The number of points, Npts, to be used for the basis of the
+ extrapolation can also be specified.
+
+8) If the value of Q*\ calculated with the extrapolated regions is invalid, a
+ red warning will appear at the top of the *Invariant* panel.
+
+ The details of the calculation are available by clicking the *Details*
+ button in the middle of the panel.
+
+.. image:: image005.gif
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Parameters
+----------
+
+Volume Fraction
+^^^^^^^^^^^^^^^
+
+The volume fraction |phi| is related to Q*\ by
+
+.. image:: image002.gif
+
+where |bigdelta|\ |rho| is the SLD contrast.
+
+.. image:: image003.gif
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Specific Surface Area
+^^^^^^^^^^^^^^^^^^^^^
+
+The specific surface area *Sv* is related to Q*\ by
+
+.. image:: image004.gif
+
+where *Cp* is the Porod constant.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Reference
+---------
+
+O. Glatter and O. Kratky
+Chapter 2 in *Small Angle X-Ray Scattering*
+Academic Press, New York, 1982
+
+http://web.archive.org/web/20110824105537/http://physchem.kfunigraz.ac.at/sm/Service/Glatter_Kratky_SAXS_1982.zip
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last changed by Steve King, 01May2015
diff --git a/src/sas/sasgui/perspectives/invariant/media/redo.png b/src/sas/sasgui/perspectives/invariant/media/redo.png
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index 0000000..f855817
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diff --git a/src/sas/sasgui/perspectives/invariant/media/report.png b/src/sas/sasgui/perspectives/invariant/media/report.png
new file mode 100644
index 0000000..eb909bf
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diff --git a/src/sas/sasgui/perspectives/invariant/media/report_template.html b/src/sas/sasgui/perspectives/invariant/media/report_template.html
new file mode 100644
index 0000000..3184d9d
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/media/report_template.html
@@ -0,0 +1,201 @@
+<html>
+<head>
+<meta http-equiv=Content-Type content="text/html; charset=windows-1252">
+<meta name=Generator >
+</head>
+<body lang=EN-US>
+<div class=WordSection1>
+<font size='4'>
+<p class=MsoNormal><b><span >%s</span></b></p>
+<p class=MsoNormal><span >%s</span></p>
+</font>
+<font size='3'>
+<p class=MsoNormal><b><span > Input
+parameters</span></b></p>
+<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0>
+ <tr>
+ <td width=170 valign=top>
+ <p class=MsoNormal > Parameter</p>
+ </td>
+ <td width=213 valign=top >
+ <p class=MsoNormal > Value</p>
+ </td>
+ <td width=170 valign=top >
+ <p class=MsoNormal > Unit</p>
+ </td>
+ </tr>
+ <tr>
+ <td width=170 valign=top >
+ <p class=MsoNormal > scale</p>
+ </td>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=170 valign=top > </p>
+ </td>
+ </tr>
+ <tr>
+ <td width=170 valign=top >
+ <p class=MsoNormal > porod constant</p>
+ </td>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=170 valign=top > </p>
+ </td>
+ </tr>
+ <tr>
+ <td width=170 valign=top>
+ <p class=MsoNormal > background</p>
+ </td>
+ <td width=170 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=170 valign=top ><span > cm<sup>-1</sup></span></p>
+ </td>
+ </tr>
+ <tr>
+ <td width=170 valign=top >
+ <p class=MsoNormal > contrast</p>
+ </td>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=170 valign=top >
+ <p class=MsoNormal ><span > A<sup>-2</sup></span></p>
+ </td>
+ </tr>
+</table>
+<p class=MsoNormal><b><span > Extrapolation</span></b></p>
+<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0>
+ <tr>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ </tr>
+ <tr>
+ <td width=213 valign=top >
+ <p class=MsoNormal > npts low = %s</p>
+ </td>
+ <td width=213 valign=top > npts high = %s</p>
+ </td>
+ </tr>
+ <tr>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=213 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ </tr>
+</table>
+<p class=MsoNormal><b><span > Outputs</span></b></p>
+<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0>
+ <tr>
+ <td width=110 valign=top >
+ <p class=MsoNormal s> Parameter</p>
+ </td>
+ <td width=150 valign=top >
+ <p class=MsoNormal > </p>
+ </td>
+ <td width=255 valign=top >
+ <p class=MsoNormal > Value</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > Unit</p>
+ </td>
+ </tr>
+ <tr>
+ <td width=110 rowspan=4 >
+ <p class=MsoNormal > invariant (Q<sup>*</sup>)</p>
+ </td>
+ <td width=150 valign=top >
+ <p class=MsoNormal > low Q extrapolation</p>
+ </td>
+ <td width=230 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > (cmA)<sup>-1</sup></p>
+ </td>
+ </tr>
+ <tr>
+ <td width=150 valign=top >
+ <p class=MsoNormal > data</p>
+ </td>
+ <td width=230 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > (cmA)<sup>-1</sup></p>
+ </td>
+ </tr>
+ <tr>
+ <td width=150 valign=top >
+ <p class=MsoNormal > high Q extrapolation</p>
+ </td>
+ <td width=230 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > (cmA)<sup>-1</sup></p>
+ </td>
+ </tr>
+ <tr>
+ <td width=150 valign=top >
+ <p class=MsoNormal > total</p>
+ </td>
+ <td width=230 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > (cmA)<sup>-1</sup></p>
+ </td>
+ </tr>
+ <tr>
+ <td width=110 valign=top >
+ <p class=MsoNormal > volume fraction</p>
+ </td>
+ <td width=150 valign=top >
+ <p class=MsoNormal > </p>
+ </td>
+ <td width=230 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > </p>
+ </td>
+ </tr>
+ <tr>
+ <td width=110 valign=top >
+ <p class=MsoNormal > specific surface</p>
+ </td>
+ <td width=150 valign=top >
+ <p class=MsoNormal > </p>
+ </td>
+ <td width=230 valign=top >
+ <p class=MsoNormal > %s</p>
+ </td>
+ <td width=65 valign=top >
+ <p class=MsoNormal > </p>
+ </td>
+ </tr>
+</table>
+</font>
+<p class=MsoNormal> </p>
+<font size=4>
+<br><b><span > Plot</span></b>
+<center>
+<br>Invariant Computation
+<br>Data: "%s"
+<img src="%s" height=400 width=550>
+</center>
+</font>
+</div>
+
+</body>
+
+</html>
diff --git a/src/sas/sasgui/perspectives/invariant/media/save.png b/src/sas/sasgui/perspectives/invariant/media/save.png
new file mode 100644
index 0000000..0e57233
Binary files /dev/null and b/src/sas/sasgui/perspectives/invariant/media/save.png differ
diff --git a/src/sas/sasgui/perspectives/invariant/media/undo.png b/src/sas/sasgui/perspectives/invariant/media/undo.png
new file mode 100644
index 0000000..f792b26
Binary files /dev/null and b/src/sas/sasgui/perspectives/invariant/media/undo.png differ
diff --git a/src/sas/sasgui/perspectives/invariant/report_dialog.py b/src/sas/sasgui/perspectives/invariant/report_dialog.py
new file mode 100644
index 0000000..9dc937f
--- /dev/null
+++ b/src/sas/sasgui/perspectives/invariant/report_dialog.py
@@ -0,0 +1,124 @@
+
+################################################################################
+# This software was developed by the University of Tennessee as part of the
+# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+# project funded by the US National Science Foundation.
+#
+# See the license text in license.txt
+#
+# copyright 2009, University of Tennessee
+################################################################################
+
+"""
+Dialog report panel to show and summarize the results of
+the invariant calculation.
+"""
+import wx
+import os
+import sys
+import logging
+
+from sas.sasgui.guiframe.report_dialog import BaseReportDialog
+
+class ReportDialog(BaseReportDialog):
+ """
+ The report dialog box.
+ """
+
+ def __init__(self, report_list, *args, **kwds):
+ """
+ Initialization. The parameters added to Dialog are:
+
+ :param report_list: list of html_str, text_str, image
+ from invariant_state
+ """
+ super(ReportDialog, self).__init__(report_list, *args, **kwds)
+
+ # title
+ self.SetTitle("Report: Invariant computaion")
+
+ # put image path in the report string
+ self.report_html = self.report_list[0] % "memory:img_inv.png"
+ # layout
+ self._setup_layout()
+
+ def onSave(self, event=None):
+ """
+ Save
+ """
+ # todo: complete saving fig file and as a txt file
+ dlg = wx.FileDialog(self, "Choose a file",
+ wildcard=self.wild_card,
+ style=wx.SAVE | wx.OVERWRITE_PROMPT | wx.CHANGE_DIR)
+ dlg.SetFilterIndex(0) # Set .html files to be default
+
+ if dlg.ShowModal() != wx.ID_OK:
+ dlg.Destroy()
+ return
+
+ fName = dlg.GetPath()
+ ext_num = dlg.GetFilterIndex()
+ # set file extensions
+ if ext_num == (0 + 2 * self.index_offset):
+ # TODO: Sort this case out
+ ext = '.pdf'
+ img_ext = '_img.png'
+ fName = os.path.splitext(fName)[0] + ext
+ dlg.Destroy()
+
+ # pic (png) file path/name
+ pic_fname = os.path.splitext(fName)[0] + img_ext
+ # save the image for use with pdf writer
+ self.report_list[2].savefig(pic_fname)
+
+ # put the image file path in the html data
+ html = self.report_list[0] % str(pic_fname)
+
+ # make/open file in case of absence
+ f = open(fName, 'w')
+ f.close()
+ # write pdf as a pdf file
+ pdf = self.HTML2PDF(data=html, filename=fName)
+
+ # open pdf
+ if pdf:
+ try:
+ # Windows
+ os.startfile(str(fName))
+ except:
+ try:
+ # Mac
+ os.system("open %s" % fName)
+ except:
+ # DO not open
+ logging.error("Could not open file: %s" % sys.exc_value)
+ # delete image file
+ os.remove(pic_fname)
+ return
+ elif ext_num == (1 - self.index_offset):
+ ext = '.html'
+ img_ext = '_img4html.png'
+ report_frame = self.report_list[0]
+ elif ext_num == (2 - self.index_offset):
+ ext = '.txt'
+ # changing the image extension actually changes the image
+ # format on saving
+ img_ext = '_img4txt.pdf'
+ report = self.report_list[1]
+ else:
+ return
+
+ # file name
+ fName = os.path.splitext(fName)[0] + ext
+ dlg.Destroy()
+ # pic (png) file path/name
+ pic_fname = os.path.splitext(fName)[0] + img_ext
+ # put the image path in html string
+ if ext_num == (1 - self.index_offset):
+ report = report_frame % os.path.basename(pic_fname)
+
+ f = open(fName, 'w')
+ f.write(report)
+ f.close()
+ # save png file using pic_fname
+ self.report_list[2].savefig(pic_fname)
diff --git a/src/sas/sasgui/perspectives/pr/__init__.py b/src/sas/sasgui/perspectives/pr/__init__.py
new file mode 100644
index 0000000..2f0e5a5
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/__init__.py
@@ -0,0 +1,2 @@
+PLUGIN_ID = "P(r) plug-in 1.0"
+from pr import *
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/pr/explore_dialog.py b/src/sas/sasgui/perspectives/pr/explore_dialog.py
new file mode 100644
index 0000000..08bb248
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/explore_dialog.py
@@ -0,0 +1,425 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+"""
+Dialog panel to explore the P(r) inversion results for a range
+of D_max value. User picks a number of points and a range of
+distances, then can toggle between inversion outputs and see
+their distribution as a function of D_max.
+"""
+
+
+import wx
+import numpy
+import logging
+import sys
+
+# Avoid Matplotlib complaining about the lack of legend on the plot
+import warnings
+warnings.simplefilter("ignore")
+
+# Import plotting classes
+from sas.sasgui.plottools.PlotPanel import PlotPanel
+from sas.sasgui.plottools import Data1D as Model1D
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sasgui.plottools.plottables import Graph
+
+from pr_widgets import PrTextCtrl
+
+# Default number of points on the output plot
+DEFAULT_NPTS = 10
+# Default output parameter to plot
+DEFAULT_OUTPUT = 'Chi2/dof'
+
+class OutputPlot(PlotPanel):
+ """
+ Plot panel used to show the selected results as a function
+ of D_max
+ """
+ ## Title for plottools
+ window_caption = "D Explorer"
+
+ def __init__(self, d_min, d_max, parent, id= -1, color=None, \
+ dpi=None, style=wx.NO_FULL_REPAINT_ON_RESIZE, **kwargs):
+ """
+ Initialization. The parameters added to PlotPanel are:
+
+ :param d_min: Minimum value of D_max to explore
+ :param d_max: Maximum value of D_max to explore
+
+ """
+ PlotPanel.__init__(self, parent, id=id, style=style, **kwargs)
+
+ self.parent = parent
+ self.min = d_min
+ self.max = d_max
+ self.npts = DEFAULT_NPTS
+
+ step = (self.max - self.min) / (self.npts - 1)
+ self.x = numpy.arange(self.min, self.max + step * 0.01, step)
+ dx = numpy.zeros(len(self.x))
+ y = numpy.ones(len(self.x))
+ dy = numpy.zeros(len(self.x))
+
+ # Plot area
+ self.plot = Model1D(self.x, y=y, dy=dy)
+ self.plot.name = DEFAULT_OUTPUT
+ self.plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+
+ # Graph
+ self.graph = Graph()
+ self.graph.xaxis("\\rm{D_{max}}", 'A')
+ self.graph.yaxis("\\rm{%s}" % DEFAULT_OUTPUT, "")
+ self.graph.add(self.plot)
+ self.graph.render(self)
+
+ self.toolbar.DeleteToolByPos(0)
+ self.toolbar.DeleteToolByPos(8)
+ self.toolbar.Realize()
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for the plot panel
+
+ :TODO: Would be nice to add printing and log/linear scales.
+ The current verison of plottools no longer plays well with
+ plots outside of guiframe. Guiframe team needs to fix this.
+ """
+ # Slicer plot popup menu
+ wx_id = wx.NewId()
+ slicerpop = wx.Menu()
+ slicerpop.Append(wx_id, '&Save image', 'Save image as PNG')
+ wx.EVT_MENU(self, wx_id, self.onSaveImage)
+
+ wx_id = wx.NewId()
+ slicerpop.AppendSeparator()
+ slicerpop.Append(wx_id, '&Reset Graph')
+ wx.EVT_MENU(self, wx_id, self.onResetGraph)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+
+class Results(object):
+ """
+ Class to hold the inversion output parameters
+ as a function of D_max
+ """
+ def __init__(self):
+ """
+ Initialization. Create empty arrays
+ and dictionary of labels.
+ """
+ # Array of output for each inversion
+ self.chi2 = []
+ self.osc = []
+ self.pos = []
+ self.pos_err = []
+ self.rg = []
+ self.iq0 = []
+ self.bck = []
+ self.d_max = []
+
+ # Dictionary of outputs
+ self.outputs = {}
+ self.outputs['Chi2/dof'] = ["\chi^2/dof", "a.u.", self.chi2]
+ self.outputs['Oscillation parameter'] = ["Osc", "a.u.", self.osc]
+ self.outputs['Positive fraction'] = ["P^+", "a.u.", self.pos]
+ self.outputs['1-sigma positive fraction'] = ["P^+_{1\ \sigma}",
+ "a.u.", self.pos_err]
+ self.outputs['Rg'] = ["R_g", "A", self.rg]
+ self.outputs['I(q=0)'] = ["I(q=0)", "1/A", self.iq0]
+ self.outputs['Background'] = ["Bck", "1/A", self.bck]
+
+class ExploreDialog(wx.Dialog):
+ """
+ The explorer dialog box. This dialog is meant to be
+ invoked by the InversionControl class.
+ """
+
+ def __init__(self, pr_state, nfunc, *args, **kwds):
+ """
+ Initialization. The parameters added to Dialog are:
+
+ :param pr_state: sas.sascalc.pr.invertor.Invertor object
+ :param nfunc: Number of terms in the expansion
+
+ """
+ kwds["style"] = wx.RESIZE_BORDER | wx.DEFAULT_DIALOG_STYLE
+ wx.Dialog.__init__(self, *args, **kwds)
+
+ # Initialize Results object
+ self.results = Results()
+
+ self.pr_state = pr_state
+ self._default_min = 0.9 * self.pr_state.d_max
+ self._default_max = 1.1 * self.pr_state.d_max
+ self.nfunc = nfunc
+
+ # Control for number of points
+ self.npts_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER,
+ size=(60, 20))
+ # Control for the minimum value of D_max
+ self.dmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER,
+ size=(60, 20))
+ # Control for the maximum value of D_max
+ self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER,
+ size=(60, 20))
+
+ # Output selection box for the y axis
+ self.output_box = None
+
+ # Create the plot object
+ self.plotpanel = OutputPlot(self._default_min, self._default_max,
+ self, -1, style=wx.RAISED_BORDER)
+
+ # Create the layout of the dialog
+ self.__do_layout()
+ self.Fit()
+
+ # Calculate exploration results
+ self._recalc()
+ # Graph the default output curve
+ self._plot_output()
+
+ class Event(object):
+ """
+ Class that holds the content of the form
+ """
+ ## Number of points to be plotted
+ npts = 0
+ ## Minimum value of D_max
+ dmin = 0
+ ## Maximum value of D_max
+ dmax = 0
+
+ def _get_values(self, event=None):
+ """
+ Invoked when the user changes a value of the form.
+ Check that the values are of the right type.
+
+ :return: ExploreDialog.Event object if the content is good,
+ None otherwise
+ """
+ # Flag to make sure that all values are good
+ flag = True
+
+ # Empty ExploreDialog.Event content
+ content_event = self.Event()
+
+ # Read each text control and make sure the type is valid
+ # Let the user know if a type is invalid by changing the
+ # background color of the control.
+ try:
+ content_event.npts = int(self.npts_ctl.GetValue())
+ self.npts_ctl.SetBackgroundColour(wx.WHITE)
+ self.npts_ctl.Refresh()
+ except:
+ flag = False
+ self.npts_ctl.SetBackgroundColour("pink")
+ self.npts_ctl.Refresh()
+
+ try:
+ content_event.dmin = float(self.dmin_ctl.GetValue())
+ self.dmin_ctl.SetBackgroundColour(wx.WHITE)
+ self.dmin_ctl.Refresh()
+ except:
+ flag = False
+ self.dmin_ctl.SetBackgroundColour("pink")
+ self.dmin_ctl.Refresh()
+
+ try:
+ content_event.dmax = float(self.dmax_ctl.GetValue())
+ self.dmax_ctl.SetBackgroundColour(wx.WHITE)
+ self.dmax_ctl.Refresh()
+ except:
+ flag = False
+ self.dmax_ctl.SetBackgroundColour("pink")
+ self.dmax_ctl.Refresh()
+
+ # If the content of the form is valid, return the content,
+ # otherwise return None
+ if flag:
+ if event is not None:
+ event.Skip(True)
+ return content_event
+ else:
+ return None
+
+ def _plot_output(self, event=None):
+ """
+ Invoked when a new output type is selected for plotting,
+ or when a new computation is finished.
+ """
+ # Get the output type selection
+ output_type = self.output_box.GetString(self.output_box.GetSelection())
+
+ # If the selected output type is part of the results ojbect,
+ # display the results.
+ # Note: by design, the output type should always be part of the
+ # results object.
+ if self.results.outputs.has_key(output_type):
+ self.plotpanel.plot.x = self.results.d_max
+ self.plotpanel.plot.y = self.results.outputs[output_type][2]
+ self.plotpanel.plot.name = '_nolegend_'
+ y_label = "\\rm{%s}" % self.results.outputs[output_type][0]
+ self.plotpanel.graph.yaxis(y_label,
+ self.results.outputs[output_type][1])
+
+ # Redraw
+ self.plotpanel.graph.render(self.plotpanel)
+ self.plotpanel.subplot.figure.canvas.draw_idle()
+ else:
+ msg = "ExploreDialog: the Results object's dictionary "
+ msg += "does not contain "
+ msg += "the [%s] output type. This must be indicative of "
+ msg += "a change in the " % str(output_type)
+ msg += "ExploreDialog code."
+ logging.error(msg)
+
+ def __do_layout(self):
+ """
+ Do the layout of the dialog
+ """
+ # Dialog box properties
+ self.SetTitle("D_max Explorer")
+ self.SetSize((600, 595))
+
+ sizer_main = wx.BoxSizer(wx.VERTICAL)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_params = wx.GridBagSizer(5, 5)
+
+ iy = 0
+ ix = 0
+ label_npts = wx.StaticText(self, -1, "Npts")
+ sizer_params.Add(label_npts, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_params.Add(self.npts_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.npts_ctl.SetValue("%g" % DEFAULT_NPTS)
+
+ ix += 1
+ label_dmin = wx.StaticText(self, -1, "Min Distance [A]")
+ sizer_params.Add(label_dmin, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_params.Add(self.dmin_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.dmin_ctl.SetValue(str(self._default_min))
+
+ ix += 1
+ label_dmax = wx.StaticText(self, -1, "Max Distance [A]")
+ sizer_params.Add(label_dmax, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer_params.Add(self.dmax_ctl, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ self.dmax_ctl.SetValue(str(self._default_max))
+
+ # Ouput selection box
+ selection_msg = wx.StaticText(self, -1, "Select a dependent variable:")
+ self.output_box = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ for item in self.results.outputs.keys():
+ self.output_box.Append(item, "")
+ self.output_box.SetStringSelection(DEFAULT_OUTPUT)
+
+ output_sizer = wx.GridBagSizer(5, 5)
+ output_sizer.Add(selection_msg, (0, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+ output_sizer.Add(self.output_box, (0, 1), (1, 2),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
+
+ wx.EVT_COMBOBOX(self.output_box, -1, self._plot_output)
+ sizer_main.Add(output_sizer, 0, wx.EXPAND | wx.ALL, 10)
+
+ sizer_main.Add(self.plotpanel, 0, wx.EXPAND | wx.ALL, 10)
+ sizer_main.SetItemMinSize(self.plotpanel, 400, 400)
+
+ sizer_main.Add(sizer_params, 0, wx.EXPAND | wx.ALL, 10)
+ static_line_3 = wx.StaticLine(self, -1)
+ sizer_main.Add(static_line_3, 0, wx.EXPAND, 0)
+
+ # Bottom area with the close button
+ sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ button_OK = wx.Button(self, wx.ID_OK, "Close")
+ sizer_button.Add(button_OK, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+
+ sizer_main.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
+ self.SetAutoLayout(True)
+ self.SetSizer(sizer_main)
+ self.Layout()
+ self.Centre()
+
+ # Bind the Enter key to recalculation
+ self.Bind(wx.EVT_TEXT_ENTER, self._recalc)
+
+ def set_plot_unfocus(self):
+ """
+ Not implemented
+ """
+ pass
+
+ def send_focus_to_datapanel(self, name):
+ """
+ The GUI manager sometimes calls this method
+ TODO: refactor this
+ """
+ pass
+
+ def _recalc(self, event=None):
+ """
+ Invoked when the user changed a value on the form.
+ Process the form and compute the output to be plottted.
+ """
+ # Get the content of the form
+ content = self._get_values()
+ # If the content of the form is invalid, return and do nothing
+ if content is None:
+ return
+
+ # Results object to store the computation outputs.
+ results = Results()
+
+ # Loop over d_max values
+ for i in range(content.npts):
+ temp = (content.dmax - content.dmin) / (content.npts - 1.0)
+ d = content.dmin + i * temp
+
+ self.pr_state.d_max = d
+ try:
+ out, cov = self.pr_state.invert(self.nfunc)
+
+ # Store results
+ iq0 = self.pr_state.iq0(out)
+ rg = self.pr_state.rg(out)
+ pos = self.pr_state.get_positive(out)
+ pos_err = self.pr_state.get_pos_err(out, cov)
+ osc = self.pr_state.oscillations(out)
+
+ results.d_max.append(self.pr_state.d_max)
+ results.bck.append(self.pr_state.background)
+ results.chi2.append(self.pr_state.chi2)
+ results.iq0.append(iq0)
+ results.rg.append(rg)
+ results.pos.append(pos)
+ results.pos_err.append(pos_err)
+ results.osc.append(osc)
+ except:
+ # This inversion failed, skip this D_max value
+ msg = "ExploreDialog: inversion failed "
+ msg += "for D_max=%s\n%s" % (str(d), sys.exc_value)
+ logging.error(msg)
+
+ self.results = results
+
+ # Plot the selected output
+ self._plot_output()
diff --git a/src/sas/sasgui/perspectives/pr/inversion_panel.py b/src/sas/sasgui/perspectives/pr/inversion_panel.py
new file mode 100644
index 0000000..825bc05
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/inversion_panel.py
@@ -0,0 +1,1043 @@
+#!/usr/bin/env python
+
+# version
+__id__ = "$Id: aboutdialog.py 1193 2007-05-03 17:29:59Z dmitriy $"
+__revision__ = "$Revision: 1193 $"
+
+import wx
+import os
+import sys
+import logging
+from wx.lib.scrolledpanel import ScrolledPanel
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.panel_base import PanelBase
+from inversion_state import InversionState
+from pr_widgets import PrTextCtrl
+from pr_widgets import DataFileTextCtrl
+from pr_widgets import OutputTextCtrl
+from sas.sasgui.guiframe.documentation_window import DocumentationWindow
+
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+else:
+ FONT_VARIANT = 1
+
+class InversionControl(ScrolledPanel, PanelBase):
+ """
+ """
+ window_name = 'pr_control'
+ window_caption = "P(r) control panel"
+ CENTER_PANE = True
+
+ # Figure of merit parameters [default]
+
+ ## Oscillation parameters (sin function = 1.1)
+ oscillation_max = 1.5
+
+ def __init__(self, parent, id=-1, plots=None, **kwargs):
+ """
+ """
+ ScrolledPanel.__init__(self, parent, id=id, **kwargs)
+ PanelBase.__init__(self, parent)
+ self.SetupScrolling()
+ #Set window's font size
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ self._set_analysis(False)
+
+ self.plots = plots
+ self.radio_buttons = {}
+ self.parent = parent.parent
+
+ ## Data file TextCtrl
+ self.data_file = None
+ self.plot_data = None
+ self.nfunc_ctl = None
+ self.alpha_ctl = None
+ self.dmax_ctl = None
+ self.time_ctl = None
+ self.chi2_ctl = None
+ self.osc_ctl = None
+ self.file_radio = None
+ self.plot_radio = None
+ self.label_sugg = None
+ self.qmin_ctl = None
+ self.qmax_ctl = None
+ self.swidth_ctl = None
+ self.sheight_ctl = None
+
+ self.rg_ctl = None
+ self.iq0_ctl = None
+ self.bck_chk = None
+ self.bck_ctl = None
+
+ # TextCtrl for fraction of positive P(r)
+ self.pos_ctl = None
+
+ # TextCtrl for fraction of 1 sigma positive P(r)
+ self.pos_err_ctl = None
+
+ ## Estimates
+ self.alpha_estimate_ctl = None
+ self.nterms_estimate_ctl = None
+ ## D_max distance explorator
+ self.distance_explorator_ctl = None
+ ## Data manager
+ self._manager = None
+ ## Default file location for save
+ self._default_save_location = os.getcwd()
+ if self.parent is not None:
+ self._default_save_location = \
+ self.parent._default_save_location
+
+ # Default width
+ self._default_width = 350
+ self._do_layout()
+
+ def __setattr__(self, name, value):
+ """
+ Allow direct hooks to text boxes
+ """
+ if name == 'nfunc':
+ self.nfunc_ctl.SetValue(str(int(value)))
+ elif name == 'd_max':
+ self.dmax_ctl.SetValue(str(value))
+ elif name == 'alpha':
+ self.alpha_ctl.SetValue(str(value))
+ elif name == 'chi2':
+ self.chi2_ctl.SetValue("%-5.2g" % value)
+ elif name == 'bck':
+ self.bck_ctl.SetValue("%-5.2g" % value)
+ elif name == 'q_min':
+ self.qmin_ctl.SetValue("%-5.2g" % value)
+ elif name == 'q_max':
+ self.qmax_ctl.SetValue("%-5.2g" % value)
+ elif name == 'elapsed':
+ self.time_ctl.SetValue("%-5.2g" % value)
+ elif name == 'rg':
+ self.rg_ctl.SetValue("%-5.2g" % value)
+ elif name == 'iq0':
+ self.iq0_ctl.SetValue("%-5.2g" % value)
+ elif name == 'oscillation':
+ self.osc_ctl.SetValue("%-5.2g" % value)
+ elif name == 'slit_width':
+ self.swidth_ctl.SetValue("%-5.2g" % value)
+ elif name == 'slit_height':
+ self.sheight_ctl.SetValue("%-5.2g" % value)
+ elif name == 'positive':
+ self.pos_ctl.SetValue("%-5.2g" % value)
+ elif name == 'pos_err':
+ self.pos_err_ctl.SetValue("%-5.2g" % value)
+ elif name == 'alpha_estimate':
+ self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
+ self.alpha_estimate_ctl.Enable(True)
+ self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
+ #self.alpha_estimate_ctl.Show()
+ #self.label_sugg.Show()
+ elif name == 'nterms_estimate':
+ self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
+ self.nterms_estimate_ctl.Enable(True)
+ self.nterms_estimate_ctl.SetLabel("%-g" % value)
+ elif name == 'plotname':
+ self.plot_data.SetValue(str(value))
+ self._on_pars_changed(None)
+ elif name == 'datafile':
+ self.plot_data.SetValue(str(value))
+ self._on_pars_changed(None)
+ else:
+ wx.Panel.__setattr__(self, name, value)
+
+ def __getattr__(self, name):
+ """
+ Allow direct hooks to text boxes
+ """
+ if name == 'nfunc':
+ try:
+ return int(self.nfunc_ctl.GetValue())
+ except:
+ return -1
+ elif name == 'd_max':
+ try:
+ return self.dmax_ctl.GetValue()
+ except:
+ return -1.0
+ elif name == 'alpha':
+ try:
+ return self.alpha_ctl.GetValue()
+ except:
+ return -1.0
+ elif name == 'chi2':
+ try:
+ return float(self.chi2_ctl.GetValue())
+ except:
+ return None
+ elif name == 'bck':
+ try:
+ return float(self.bck_ctl.GetValue())
+ except:
+ return None
+ elif name == 'q_min':
+ try:
+ return float(self.qmin_ctl.GetValue())
+ except:
+ return 0.0
+ elif name == 'q_max':
+ try:
+ return float(self.qmax_ctl.GetValue())
+ except:
+ return 0.0
+ elif name == 'elapsed':
+ try:
+ return float(self.time_ctl.GetValue())
+ except:
+ return None
+ elif name == 'rg':
+ try:
+ return float(self.rg_ctl.GetValue())
+ except:
+ return None
+ elif name == 'iq0':
+ try:
+ return float(self.iq0_ctl.GetValue())
+ except:
+ return None
+ elif name == 'oscillation':
+ try:
+ return float(self.osc_ctl.GetValue())
+ except:
+ return None
+ elif name == 'slit_width':
+ try:
+ return float(self.swidth_ctl.GetValue())
+ except:
+ return None
+ elif name == 'slit_height':
+ try:
+ return float(self.sheight_ctl.GetValue())
+ except:
+ return None
+ elif name == 'pos':
+ try:
+ return float(self.pos_ctl.GetValue())
+ except:
+ return None
+ elif name == 'pos_err':
+ try:
+ return float(self.pos_err_ctl.GetValue())
+ except:
+ return None
+ elif name == 'alpha_estimate':
+ try:
+ return float(self.alpha_estimate_ctl.GetLabel())
+ except:
+ return None
+ elif name == 'nterms_estimate':
+ try:
+ return int(self.nterms_estimate_ctl.GetLabel())
+ except:
+ return None
+ elif name == 'plotname':
+ return self.plot_data.GetValue()
+ elif name == 'datafile':
+ return self.plot_data.GetValue()
+ else:
+ return wx.Panel.__getattribute__(self, name)
+
+ def save_project(self, doc=None):
+ """
+ return an xml node containing state of the panel
+ that guiframe can write to file
+ """
+ data = self.get_data()
+ state = self.get_state()
+ if data is not None:
+ new_doc = self._manager.state_reader.write_toXML(data, state)
+ if new_doc is not None:
+ if doc is not None and hasattr(doc, "firstChild"):
+ child = new_doc.getElementsByTagName("SASentry")
+ for item in child:
+ doc.firstChild.appendChild(item)
+ else:
+ doc = new_doc
+ return doc
+
+ def on_save(self, evt=None):
+ """
+ Method used to create a memento of the current state
+
+ :return: state object
+ """
+ # Ask the user the location of the file to write to.
+ path = None
+ if self.parent != None:
+ self._default_save_location = self.parent._default_save_location
+ dlg = wx.FileDialog(self, "Choose a file",
+ self._default_save_location,
+ self.window_caption, "*.prv", wx.SAVE)
+ if dlg.ShowModal() == wx.ID_OK:
+ path = dlg.GetPath()
+ self._default_save_location = os.path.dirname(path)
+ if self.parent != None:
+ self.parent._default_save_location = self._default_save_location
+ else:
+ return None
+
+ dlg.Destroy()
+
+ state = self.get_state()
+
+ # MAC always needs the extension for saving
+ extens = ".prv"
+ # Make sure the ext included in the file name
+ fName = os.path.splitext(path)[0] + extens
+ self._manager.save_data(filepath=fName, prstate=state)
+
+ return state
+
+ def get_data(self):
+ """
+ """
+ return self._manager.get_data()
+
+ def get_state(self):
+ """
+ Get the current state
+
+ : return: state object
+ """
+ # Construct the state object
+ state = InversionState()
+
+ # Read the panel's parameters
+ flag, alpha, dmax, nfunc, qmin, \
+ qmax, height, width = self._read_pars()
+
+ state.nfunc = nfunc
+ state.d_max = dmax
+ state.alpha = alpha
+ state.qmin = qmin
+ state.qmax = qmax
+ state.width = width
+ state.height = height
+
+ # Data file
+ state.file = self.plot_data.GetValue()
+
+ # Background evaluation checkbox
+ state.estimate_bck = self.bck_chk.IsChecked()
+
+ # Estimates
+ state.nterms_estimate = self.nterms_estimate
+ state.alpha_estimate = self.alpha_estimate
+
+ # Read the output values
+ state.chi2 = self.chi2
+ state.elapsed = self.elapsed
+ state.osc = self.oscillation
+ state.pos = self.pos
+ state.pos_err = self.pos_err
+ state.rg = self.rg
+ state.iq0 = self.iq0
+ state.bck = self.bck
+
+ return state
+
+ def set_state(self, state):
+ """
+ Set the state of the panel and inversion problem to
+ the state passed as a parameter.
+ Execute the inversion immediately after filling the
+ controls.
+
+ :param state: InversionState object
+ """
+ if state.nfunc is not None:
+ self.nfunc = state.nfunc
+ if state.d_max is not None:
+ self.d_max = state.d_max
+ if state.alpha is not None:
+ self.alpha = state.alpha
+ if state.qmin is not None:
+ self.q_min = state.qmin
+ if state.qmax is not None:
+ self.q_max = state.qmax
+ if state.width is not None:
+ self.slit_width = state.width
+ if state.height is not None:
+ self.slit_height = state.height
+
+ # Data file
+ self.plot_data.SetValue(str(state.file))
+
+ # Background evaluation checkbox
+ self.bck_chk.SetValue(state.estimate_bck)
+
+ # Estimates
+ if state.nterms_estimate is not None:
+ self.nterms_estimate = state.nterms_estimate
+ if state.alpha_estimate is not None:
+ self.alpha_estimate = state.alpha_estimate
+
+
+ # Read the output values
+ if state.chi2 is not None:
+ self.chi2 = state.chi2
+ if state.elapsed is not None:
+ self.elapsed = state.elapsed
+ if state.osc is not None:
+ self.oscillation = state.osc
+ if state.pos is not None:
+ self.positive = state.pos
+ if state.pos_err is not None:
+ self.pos_err = state.pos_err
+ if state.rg is not None:
+ self.rg = state.rg
+ if state.iq0 is not None:
+ self.iq0 = state.iq0
+ if state.bck is not None:
+ self.bck = state.bck
+
+ # We have the data available for serialization
+ self._set_analysis(True)
+
+ # Perform inversion
+ self._on_invert(None)
+
+ def set_manager(self, manager):
+ self._manager = manager
+ if manager is not None:
+ self._set_analysis(False)
+
+ def _do_layout(self):
+ vbox = wx.GridBagSizer(0, 0)
+ iy_vb = 0
+
+ # ----- I(q) data -----
+ databox = wx.StaticBox(self, -1, "I(q) data source")
+
+ boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
+ boxsizer1.SetMinSize((self._default_width, 50))
+ pars_sizer = wx.GridBagSizer(5, 5)
+
+ iy = 0
+ self.file_radio = wx.StaticText(self, -1, "Name:")
+ pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+
+ self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
+
+ pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
+ wx.EXPAND | wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 15)
+
+ self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
+ hint_msg = "Check box to let the fit estimate "
+ hint_msg += "the constant background level."
+ self.bck_chk.SetToolTipString(hint_msg)
+ self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
+ iy += 1
+ pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
+ vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE | wx.TOP, 5)
+
+ # ----- Add slit parameters -----
+ if True:
+ sbox = wx.StaticBox(self, -1, "Slit parameters")
+ sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
+ sboxsizer.SetMinSize((self._default_width, 20))
+
+ sizer_slit = wx.GridBagSizer(5, 5)
+
+ label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
+ label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
+ label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
+ self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ hint_msg = "Enter slit height in units of Q or leave blank."
+ self.sheight_ctl.SetToolTipString(hint_msg)
+ hint_msg = "Enter slit width in units of Q or leave blank."
+ self.swidth_ctl.SetToolTipString(hint_msg)
+
+ iy = 0
+ sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT | wx.EXPAND, 5)
+
+ sboxsizer.Add(sizer_slit, wx.TOP, 15)
+ iy_vb += 1
+ vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ # ----- Q range -----
+ qbox = wx.StaticBox(self, -1, "Q range")
+ qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
+ qboxsizer.SetMinSize((self._default_width, 20))
+
+ sizer_q = wx.GridBagSizer(5, 5)
+
+ label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
+ label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
+ label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
+ self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ hint_msg = "Select a lower bound for Q or leave blank."
+ self.qmin_ctl.SetToolTipString(hint_msg)
+ hint_msg = "Select an upper bound for Q or leave blank."
+ self.qmax_ctl.SetToolTipString(hint_msg)
+ self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
+ self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
+
+ iy = 0
+ sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT | wx.EXPAND, 5)
+ qboxsizer.Add(sizer_q, wx.TOP, 15)
+
+ iy_vb += 1
+ vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ # ----- Parameters -----
+ parsbox = wx.StaticBox(self, -1, "Parameters")
+ boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
+ boxsizer2.SetMinSize((self._default_width, 50))
+
+ explanation = "P(r) is found by fitting a set of base functions"
+ explanation += " to I(Q). The minimization involves"
+ explanation += " a regularization term to ensure a smooth P(r)."
+ explanation += " The regularization constant gives the size of that "
+ explanation += "term. The suggested value is the value above which the"
+ explanation += " output P(r) will have only one peak."
+ label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
+ boxsizer2.Add(label_explain, wx.LEFT | wx.BOTTOM, 5)
+
+ label_nfunc = wx.StaticText(self, -1, "Number of terms")
+ label_nfunc.SetMinSize((120, 20))
+ label_alpha = wx.StaticText(self, -1, "Regularization constant")
+ label_dmax = wx.StaticText(self, -1, "Max distance [A]")
+ self.label_sugg = wx.StaticText(self, -1, "Suggested value")
+
+ self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
+ self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ hint_msg = "Control parameter for the size of the regularization term."
+ self.alpha_ctl.SetToolTipString(hint_msg)
+ self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
+ hint_msg = "Maximum distance between any two points in the system."
+ self.dmax_ctl.SetToolTipString(hint_msg)
+ wx_id = wx.NewId()
+ self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
+ self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
+ self.alpha_estimate_ctl.Enable(False)
+ self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
+
+ wx_id = wx.NewId()
+ self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
+ #self.nterms_estimate_ctl.Hide()
+ self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
+ self.nterms_estimate_ctl.Enable(False)
+
+ self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
+
+ self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
+ self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
+ self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
+
+ # Distance explorator
+ wx_id = wx.NewId()
+ self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
+ self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
+
+
+ sizer_params = wx.GridBagSizer(5, 5)
+
+ iy = 0
+ sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
+ iy += 1
+ sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
+ sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
+ sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
+ iy += 1
+ sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
+ sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
+ sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
+ iy += 1
+ sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
+ sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
+ sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
+ (1, 1), wx.LEFT, 15)
+
+ boxsizer2.Add(sizer_params, 0)
+
+ iy_vb += 1
+ vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+
+ # ----- Results -----
+ resbox = wx.StaticBox(self, -1, "Outputs")
+ ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
+ ressizer.SetMinSize((self._default_width, 50))
+
+ label_rg = wx.StaticText(self, -1, "Rg")
+ label_rg_unit = wx.StaticText(self, -1, "[A]")
+ label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
+ label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
+ label_bck = wx.StaticText(self, -1, "Background")
+ label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
+ self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ hint_msg = "Radius of gyration for the computed P(r)."
+ self.rg_ctl.SetToolTipString(hint_msg)
+ self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
+ self.iq0_ctl.SetToolTipString(hint_msg)
+ self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ self.bck_ctl.SetToolTipString("Value of estimated constant background.")
+
+ label_time = wx.StaticText(self, -1, "Computation time")
+ label_time_unit = wx.StaticText(self, -1, "secs")
+ label_time.SetMinSize((120, 20))
+ label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
+ label_osc = wx.StaticText(self, -1, "Oscillations")
+ label_pos = wx.StaticText(self, -1, "Positive fraction")
+ label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
+
+ self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ hint_msg = "Computation time for the last inversion, in seconds."
+ self.time_ctl.SetToolTipString(hint_msg)
+
+ self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
+
+ # Oscillation parameter
+ self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ hint_msg = "Oscillation parameter. P(r) for a sphere has an "
+ hint_msg += " oscillation parameter of 1.1."
+ self.osc_ctl.SetToolTipString(hint_msg)
+
+ # Positive fraction figure of merit
+ self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ hint_msg = "Fraction of P(r) that is positive. "
+ hint_msg += "Theoretically, P(r) is defined positive."
+ self.pos_ctl.SetToolTipString(hint_msg)
+
+ # 1-simga positive fraction figure of merit
+ self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
+ message = "Fraction of P(r) that is at least 1 standard deviation"
+ message += " greater than zero.\n"
+ message += "This figure of merit tells you about the size of the "
+ message += "P(r) errors.\n"
+ message += "If it is close to 1 and the other figures of merit are bad,"
+ message += " consider changing the maximum distance."
+ self.pos_err_ctl.SetToolTipString(message)
+
+ sizer_res = wx.GridBagSizer(5, 5)
+
+ iy = 0
+ sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ iy += 1
+ sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ iy += 1
+ sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ iy += 1
+ sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ iy += 1
+ sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+ iy += 1
+ sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+
+ iy += 1
+ sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+
+ iy += 1
+ sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
+ sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
+
+ ressizer.Add(sizer_res, 0)
+ iy_vb += 1
+ vbox.Add(ressizer, (iy_vb, 0), (1, 1),
+ wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
+
+ # ----- Buttons -----
+ wx_id = wx.NewId()
+ button_ok = wx.Button(self, wx_id, "Compute")
+ button_ok.SetToolTipString("Perform P(r) inversion.")
+ self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
+
+ self.button_help = wx.Button(self, -1, "HELP")
+ self.button_help.SetToolTipString("Get help on P(r) inversion.")
+ self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
+
+ self._set_reset_flag(True)
+ self._set_save_flag(True)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(button_ok, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(self.button_help, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
+
+ iy_vb += 1
+ vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
+ wx.EXPAND | wx.BOTTOM | wx.TOP | wx.RIGHT, 10)
+
+ self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
+
+ self.SetSizer(vbox)
+
+ def _on_accept_alpha(self, evt):
+ """
+ User has accepted the estimated alpha,
+ set it as part of the input parameters
+ """
+ try:
+ alpha = self.alpha_estimate_ctl.GetLabel()
+ # Check that we have a number
+ float(alpha)
+ self.alpha_ctl.SetValue(alpha)
+ except ValueError:
+ logging.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
+ except:
+ # No estimate or bad estimate, either do nothing
+ logging.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
+
+ def _on_accept_nterms(self, evt):
+ """
+ User has accepted the estimated number of terms,
+ set it as part of the input parameters
+ """
+ try:
+ nterms = self.nterms_estimate_ctl.GetLabel()
+ # Check that we have a number
+ float(nterms)
+ self.nfunc_ctl.SetValue(nterms)
+ except ValueError:
+ logging.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
+ except:
+ # No estimate or bad estimate, either do nothing
+ logging.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
+
+ def clear_panel(self):
+ """
+ """
+ self.plot_data.SetValue("")
+ self.on_reset(event=None)
+
+ def on_reset(self, event=None):
+ """
+ Resets inversion parameters
+ """
+ self.nfunc = self._manager.DEFAULT_NFUNC
+ self.d_max = self._manager.DEFAULT_DMAX
+ self.alpha = self._manager.DEFAULT_ALPHA
+ self.qmin_ctl.SetValue("")
+ self.qmax_ctl.SetValue("")
+ self.time_ctl.SetValue("")
+ self.rg_ctl.SetValue("")
+ self.iq0_ctl.SetValue("")
+ self.bck_ctl.SetValue("")
+ self.chi2_ctl.SetValue("")
+ self.osc_ctl.SetValue("")
+ self.pos_ctl.SetValue("")
+ self.pos_err_ctl.SetValue("")
+ self.alpha_estimate_ctl.Enable(False)
+ self.alpha_estimate_ctl.SetLabel("")
+ self.nterms_estimate_ctl.Enable(False)
+ self.nterms_estimate_ctl.SetLabel("")
+ self._set_analysis(False)
+
+ self._on_pars_changed()
+
+ def _on_pars_changed(self, evt=None):
+ """
+ Called when an input parameter has changed
+ We will estimate the alpha parameter behind the
+ scenes.
+ """
+ flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
+ has_bck = self.bck_chk.IsChecked()
+
+ # If the pars are valid, estimate alpha
+ if flag:
+ self.nterms_estimate_ctl.Enable(False)
+ self.alpha_estimate_ctl.Enable(False)
+
+ dataset = self.plot_data.GetValue()
+ if dataset is not None and dataset.strip() != "":
+ self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
+ d_max=dmax,
+ q_min=qmin, q_max=qmax,
+ bck=has_bck,
+ height=height,
+ width=width)
+
+ def _read_pars(self, evt=None):
+ """
+ """
+ alpha = 0
+ nfunc = 5
+ dmax = 120
+ qmin = 0
+ qmax = 0
+ height = 0
+ width = 0
+ flag = True
+ # Read slit height
+ try:
+ height_str = self.sheight_ctl.GetValue()
+ if len(height_str.lstrip().rstrip()) == 0:
+ height = 0
+ else:
+ height = float(height_str)
+ self.sheight_ctl.SetBackgroundColour(wx.WHITE)
+ self.sheight_ctl.Refresh()
+ except:
+ flag = False
+ self.sheight_ctl.SetBackgroundColour("pink")
+ self.sheight_ctl.Refresh()
+
+ # Read slit width
+ try:
+ width_str = self.swidth_ctl.GetValue()
+ if len(width_str.lstrip().rstrip()) == 0:
+ width = 0
+ else:
+ width = float(width_str)
+ self.swidth_ctl.SetBackgroundColour(wx.WHITE)
+ self.swidth_ctl.Refresh()
+ except:
+ flag = False
+ self.swidth_ctl.SetBackgroundColour("pink")
+ self.swidth_ctl.Refresh()
+
+ # Read alpha
+ try:
+ alpha = float(self.alpha_ctl.GetValue())
+ self.alpha_ctl.SetBackgroundColour(wx.WHITE)
+ self.alpha_ctl.Refresh()
+ except:
+ flag = False
+ self.alpha_ctl.SetBackgroundColour("pink")
+ self.alpha_ctl.Refresh()
+
+ # Read d_max
+ try:
+ dmax = float(self.dmax_ctl.GetValue())
+ self.dmax_ctl.SetBackgroundColour(wx.WHITE)
+ self.dmax_ctl.Refresh()
+ except:
+ flag = False
+ self.dmax_ctl.SetBackgroundColour("pink")
+ self.dmax_ctl.Refresh()
+
+ # Read nfunc
+ try:
+ nfunc = int(self.nfunc_ctl.GetValue())
+ npts = self._manager.get_npts()
+ if npts > 0 and nfunc > npts:
+ message = "Number of function terms should be smaller "
+ message += "than the number of points"
+ wx.PostEvent(self._manager.parent, StatusEvent(status=message))
+ raise ValueError, message
+ self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
+ self.nfunc_ctl.Refresh()
+ except:
+ flag = False
+ self.nfunc_ctl.SetBackgroundColour("pink")
+ self.nfunc_ctl.Refresh()
+
+ # Read qmin
+ try:
+ qmin_str = self.qmin_ctl.GetValue()
+ if len(qmin_str.lstrip().rstrip()) == 0:
+ qmin = None
+ else:
+ qmin = float(qmin_str)
+ self.qmin_ctl.SetBackgroundColour(wx.WHITE)
+ self.qmin_ctl.Refresh()
+ except:
+ flag = False
+ self.qmin_ctl.SetBackgroundColour("pink")
+ self.qmin_ctl.Refresh()
+
+ # Read qmax
+ try:
+ qmax_str = self.qmax_ctl.GetValue()
+ if len(qmax_str.lstrip().rstrip()) == 0:
+ qmax = None
+ else:
+ qmax = float(qmax_str)
+ self.qmax_ctl.SetBackgroundColour(wx.WHITE)
+ self.qmax_ctl.Refresh()
+ except:
+ flag = False
+ self.qmax_ctl.SetBackgroundColour("pink")
+ self.qmax_ctl.Refresh()
+
+ return flag, alpha, dmax, nfunc, qmin, qmax, height, width
+
+ def _on_explore(self, evt):
+ """
+ Invoke the d_max exploration dialog
+ """
+ from explore_dialog import ExploreDialog
+ if self._manager._last_pr is not None:
+ pr = self._manager._create_plot_pr()
+ dialog = ExploreDialog(pr, 10, None, -1, "")
+ dialog.Show()
+ else:
+ message = "No data to analyze. Please load a data set to proceed."
+ wx.PostEvent(self._manager.parent, StatusEvent(status=message))
+
+ def _on_invert(self, evt):
+ """
+ Perform inversion
+
+ :param silent: when True, there will be no output for the user
+
+ """
+ # Get the data from the form
+ # Push it to the manager
+
+ flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
+ has_bck = self.bck_chk.IsChecked()
+
+ if flag:
+ dataset = self.plot_data.GetValue()
+ if dataset == None or len(dataset.strip()) == 0:
+ message = "No data to invert. Select a data set before"
+ message += " proceeding with P(r) inversion."
+ wx.PostEvent(self._manager.parent, StatusEvent(status=message))
+ else:
+ self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
+ d_max=dmax,
+ q_min=qmin, q_max=qmax,
+ bck=has_bck,
+ height=height,
+ width=width)
+ else:
+ message = "The P(r) form contains invalid values: "
+ message += "please submit it again."
+ wx.PostEvent(self.parent, StatusEvent(status=message))
+
+ def _change_file(self, evt=None, filepath=None, data=None):
+ """
+ Choose a new input file for I(q)
+ """
+ if not self._manager is None:
+ self.plot_data.SetValue(str(data.name))
+ try:
+ self._manager.show_data(data=data, reset=True)
+ self._on_pars_changed(None)
+ self._on_invert(None)
+ self._set_analysis(True)
+ except:
+ msg = "InversionControl._change_file: %s" % sys.exc_value
+ logging.error(msg)
+
+ def on_help(self, event):
+ """
+ Bring up the P(r) Documentation whenever
+ the HELP button is clicked.
+
+ Calls DocumentationWindow with the path of the location within the
+ documentation tree (after /doc/ ....". Note that when using old
+ versions of Wx (before 2.9) and thus not the release version of
+ installers, the help comes up at the top level of the file as
+ webbrowser does not pass anything past the # to the browser when it is
+ running "file:///...."
+
+ :param evt: Triggers on clicking the help button
+ """
+
+ _TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
+ _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
+ "P(r) Help")
+
+
+class PrDistDialog(wx.Dialog):
+ """
+ Property dialog to let the user change the number
+ of points on the P(r) plot.
+ """
+ def __init__(self, parent, id):
+ from sas.sascalc.pr.invertor import help
+ wx.Dialog.__init__(self, parent, id, size=(250, 120))
+ self.SetTitle("P(r) distribution")
+
+
+ vbox = wx.BoxSizer(wx.VERTICAL)
+
+ label_npts = wx.StaticText(self, -1, "Number of points")
+ self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
+
+ pars_sizer = wx.GridBagSizer(5, 5)
+ iy = 0
+ pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
+ pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
+
+ vbox.Add(pars_sizer, 0, wx.ALL | wx.EXPAND, 15)
+
+ static_line = wx.StaticLine(self, -1)
+ vbox.Add(static_line, 0, wx.EXPAND, 0)
+
+ button_ok = wx.Button(self, wx.ID_OK, "OK")
+ self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
+ button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(button_ok, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(button_cancel, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ vbox.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
+
+ self.SetSizer(vbox)
+ self.SetAutoLayout(True)
+
+ self.Layout()
+ self.Centre()
+
+ def _checkValues(self, event):
+ """
+ Check the dialog content.
+ """
+ flag = True
+ try:
+ int(self.npts_ctl.GetValue())
+ self.npts_ctl.SetBackgroundColour(wx.WHITE)
+ self.npts_ctl.Refresh()
+ except:
+ flag = False
+ self.npts_ctl.SetBackgroundColour("pink")
+ self.npts_ctl.Refresh()
+ if flag:
+ event.Skip(True)
+
+ def get_content(self):
+ """
+ Return the content of the dialog.
+ At this point the values have already been
+ checked.
+ """
+ value = int(self.npts_ctl.GetValue())
+ return value
+
+ def set_content(self, npts):
+ """
+ Initialize the content of the dialog.
+ """
+ self.npts_ctl.SetValue("%i" % npts)
diff --git a/src/sas/sasgui/perspectives/pr/inversion_state.py b/src/sas/sasgui/perspectives/pr/inversion_state.py
new file mode 100644
index 0000000..681225a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/inversion_state.py
@@ -0,0 +1,531 @@
+"""
+ Handling of P(r) inversion states
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+
+import time
+import os
+import sys
+import logging
+from lxml import etree
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader
+from sas.sascalc.dataloader.readers.cansas_reader import get_content
+
+PRNODE_NAME = 'pr_inversion'
+CANSAS_NS = "cansas1d/1.0"
+
+# Translation of names between stored and object data
+## List of P(r) inversion inputs
+in_list = [["nterms", "nfunc"],
+ ["d_max", "d_max"],
+ ["alpha", "alpha"],
+ ["slit_width", "width"],
+ ["slit_height", "height"],
+ ["qmin", "qmin"],
+ ["qmax", "qmax"],
+ ["estimate_bck", "estimate_bck"]]
+
+## List of P(r) inversion outputs
+out_list = [["elapsed", "elapsed"],
+ ["rg", "rg"],
+ ["iq0", "iq0"],
+ ["bck", "bck"],
+ ["chi2", "chi2"],
+ ["osc", "osc"],
+ ["pos", "pos"],
+ ["pos_err", "pos_err"],
+ ["alpha_estimate", "alpha_estimate"],
+ ["nterms_estimate", "nterms_estimate"]]
+
+class InversionState(object):
+ """
+ Class to hold the state information of the InversionControl panel.
+ """
+ def __init__(self):
+ """
+ Default values
+ """
+ # Input
+ self.file = None
+ self.estimate_bck = False
+ self.timestamp = time.time()
+
+ # Inversion parameters
+ self.nfunc = None
+ self.d_max = None
+ self.alpha = None
+
+ # Slit parameters
+ self.height = None
+ self.width = None
+
+ # Q range
+ self.qmin = None
+ self.qmax = None
+
+ # Outputs
+ self.elapsed = None
+ self.rg = None
+ self.iq0 = None
+ self.bck = None
+ self.chi2 = None
+ self.osc = None
+ self.pos = None
+ self.pos_err = None
+
+ # Estimates
+ self.alpha_estimate = None
+ self.nterms_estimate = None
+
+ # Data
+ self.q = None
+ self.iq_obs = None
+ self.iq_calc = None
+
+ # Coefficients
+ self.coefficients = None
+ self.covariance = None
+
+ def __str__(self):
+ """
+ Pretty print
+
+ :return: string representing the state
+
+ """
+ state = "File: %s\n" % self.file
+ state += "Timestamp: %s\n" % self.timestamp
+ state += "Estimate bck: %s\n" % str(self.estimate_bck)
+ state += "No. terms: %s\n" % str(self.nfunc)
+ state += "D_max: %s\n" % str(self.d_max)
+ state += "Alpha: %s\n" % str(self.alpha)
+
+ state += "Slit height: %s\n" % str(self.height)
+ state += "Slit width: %s\n" % str(self.width)
+
+ state += "Qmin: %s\n" % str(self.qmin)
+ state += "Qmax: %s\n" % str(self.qmax)
+
+ state += "\nEstimates:\n"
+ state += " Alpha: %s\n" % str(self.alpha_estimate)
+ state += " Nterms: %s\n" % str(self.nterms_estimate)
+
+ state += "\nOutputs:\n"
+ state += " Elapsed: %s\n" % str(self.elapsed)
+ state += " Rg: %s\n" % str(self.rg)
+ state += " I(q=0): %s\n" % str(self.iq0)
+ state += " Bck: %s\n" % str(self.bck)
+ state += " Chi^2: %s\n" % str(self.chi2)
+ state += " Oscillation:%s\n" % str(self.osc)
+ state += " Positive: %s\n" % str(self.pos)
+ state += " 1-sigma pos:%s\n" % str(self.pos_err)
+
+ return state
+
+ def toXML(self, file="pr_state.prv", doc=None, entry_node=None):
+ """
+ Writes the state of the InversionControl panel to file, as XML.
+
+ Compatible with standalone writing, or appending to an
+ already existing XML document. In that case, the XML document
+ is required. An optional entry node in the XML document
+ may also be given.
+
+ :param file: file to write to
+ :param doc: XML document object [optional]
+ :param entry_node: XML node within the XML document at which
+ we will append the data [optional]
+
+ """
+ #TODO: Get this to work
+ from xml.dom.minidom import getDOMImplementation
+
+ # Check whether we have to write a standalone XML file
+ if doc is None:
+ impl = getDOMImplementation()
+
+ doc_type = impl.createDocumentType(PRNODE_NAME, "1.0", "1.0")
+
+ newdoc = impl.createDocument(None, PRNODE_NAME, doc_type)
+ top_element = newdoc.documentElement
+ else:
+ # We are appending to an existing document
+ newdoc = doc
+ top_element = newdoc.createElement(PRNODE_NAME)
+ if entry_node is None:
+ newdoc.documentElement.appendChild(top_element)
+ else:
+ entry_node.appendChild(top_element)
+
+ attr = newdoc.createAttribute("version")
+ attr.nodeValue = '1.0'
+ top_element.setAttributeNode(attr)
+
+ # File name
+ element = newdoc.createElement("filename")
+ if self.file is not None:
+ element.appendChild(newdoc.createTextNode(str(self.file)))
+ else:
+ element.appendChild(newdoc.createTextNode(str(file)))
+ top_element.appendChild(element)
+
+ element = newdoc.createElement("timestamp")
+ element.appendChild(newdoc.createTextNode(time.ctime(self.timestamp)))
+ attr = newdoc.createAttribute("epoch")
+ attr.nodeValue = str(self.timestamp)
+ element.setAttributeNode(attr)
+ top_element.appendChild(element)
+
+ # Inputs
+ inputs = newdoc.createElement("inputs")
+ top_element.appendChild(inputs)
+
+ for item in in_list:
+ element = newdoc.createElement(item[0])
+ element.appendChild(newdoc.createTextNode(str(getattr(self, item[1]))))
+ inputs.appendChild(element)
+
+ # Outputs
+ outputs = newdoc.createElement("outputs")
+ top_element.appendChild(outputs)
+
+ for item in out_list:
+ element = newdoc.createElement(item[0])
+ element.appendChild(newdoc.createTextNode(str(getattr(self, item[1]))))
+ outputs.appendChild(element)
+
+ # Save output coefficients and its covariance matrix
+ element = newdoc.createElement("coefficients")
+ element.appendChild(newdoc.createTextNode(str(self.coefficients)))
+ outputs.appendChild(element)
+ element = newdoc.createElement("covariance")
+ element.appendChild(newdoc.createTextNode(str(self.covariance)))
+ outputs.appendChild(element)
+
+ # Save the file
+ if doc is None:
+ fd = open(file, 'w')
+ fd.write(newdoc.toprettyxml())
+ fd.close()
+ return None
+ else:
+ return newdoc
+
+ def fromXML(self, file=None, node=None):
+ """
+ Load a P(r) inversion state from a file
+
+ :param file: .prv file
+ :param node: node of a XML document to read from
+
+ """
+ if file is not None:
+ msg = "InversionState no longer supports non-CanSAS"
+ msg += " format for P(r) files"
+ raise RuntimeError, msg
+
+ if node.get('version') and node.get('version') == '1.0':
+
+ # Get file name
+ entry = get_content('ns:filename', node)
+ if entry is not None:
+ self.file = entry.text.strip()
+
+ # Get time stamp
+ entry = get_content('ns:timestamp', node)
+ if entry is not None and entry.get('epoch'):
+ try:
+ self.timestamp = float(entry.get('epoch'))
+ except:
+ msg = "InversionState.fromXML: Could not read "
+ msg += "timestamp\n %s" % sys.exc_value
+ logging.error(msg)
+
+ # Parse inversion inputs
+ entry = get_content('ns:inputs', node)
+ if entry is not None:
+ for item in in_list:
+ input_field = get_content('ns:%s' % item[0], entry)
+ if input_field is not None:
+ try:
+ setattr(self, item[1], float(input_field.text.strip()))
+ except:
+ setattr(self, item[1], None)
+ input_field = get_content('ns:estimate_bck', entry)
+ if input_field is not None:
+ try:
+ self.estimate_bck = input_field.text.strip() == 'True'
+ except:
+ self.estimate_bck = False
+
+ # Parse inversion outputs
+ entry = get_content('ns:outputs', node)
+ if entry is not None:
+ # Output parameters (scalars)
+ for item in out_list:
+ input_field = get_content('ns:%s' % item[0], entry)
+ if input_field is not None:
+ try:
+ setattr(self, item[1], float(input_field.text.strip()))
+ except:
+ setattr(self, item[1], None)
+
+ # Look for coefficients
+ # Format is [value, value, value, value]
+ coeff = get_content('ns:coefficients', entry)
+ if coeff is not None:
+ # Remove brackets
+ c_values = coeff.text.strip().replace('[', '')
+ c_values = c_values.replace(']', '')
+ toks = c_values.split()
+ self.coefficients = []
+ for c in toks:
+ try:
+ self.coefficients.append(float(c))
+ except:
+ # Bad data, skip. We will count the number of
+ # coefficients at the very end and deal with
+ # inconsistencies then.
+ pass
+ # Sanity check
+ if not len(self.coefficients) == self.nfunc:
+ # Inconsistent number of coefficients.
+ # Don't keep the data.
+ err_msg = "InversionState.fromXML: inconsistant "
+ err_msg += "number of coefficients: "
+ err_msg += "%d %d" % (len(self.coefficients),
+ self.nfunc)
+ logging.error(err_msg)
+ self.coefficients = None
+
+ # Look for covariance matrix
+ # Format is [ [value, value], [value, value] ]
+ coeff = get_content('ns:covariance', entry)
+ if coeff is not None:
+ # Parse rows
+ rows = coeff.text.strip().split('[')
+ self.covariance = []
+ for row in rows:
+ row = row.strip()
+ if len(row) == 0: continue
+ # Remove end bracket
+ row = row.replace(']', '')
+ c_values = row.split()
+ cov_row = []
+ for c in c_values:
+ try:
+ cov_row.append(float(c))
+ except:
+ # Bad data, skip. We will count the number of
+ # coefficients at the very end and deal with
+ # inconsistencies then.
+ pass
+ # Sanity check: check the number of entries in the row
+ if len(cov_row) == self.nfunc:
+ self.covariance.append(cov_row)
+ # Sanity check: check the number of rows in the covariance
+ # matrix
+ if not len(self.covariance) == self.nfunc:
+ # Inconsistent dimensions of the covariance matrix.
+ # Don't keep the data.
+ err_msg = "InversionState.fromXML: "
+ err_msg += "inconsistant dimensions of the "
+ err_msg += " covariance matrix: "
+ err_msg += "%d %d" % (len(self.covariance), self.nfunc)
+ logging.error(err_msg)
+ self.covariance = None
+
+class Reader(CansasReader):
+ """
+ Class to load a .prv P(r) inversion file
+ """
+ ## File type
+ type_name = "P(r)"
+
+ ## Wildcards
+ type = ["P(r) files (*.prv)|*.prv",
+ "SASView files (*.svs)|*.svs"]
+ ## List of allowed extensions
+ ext = ['.prv', '.PRV', '.svs', '.SVS']
+
+ def __init__(self, call_back, cansas=True):
+ """
+ Initialize the call-back method to be called
+ after we load a file
+
+ :param call_back: call-back method
+ :param cansas: True = files will be written/read in CanSAS format
+ False = write CanSAS format
+
+ """
+ ## Call back method to be executed after a file is read
+ self.call_back = call_back
+ ## CanSAS format flag
+ self.cansas = cansas
+ self.state = None
+
+ def read(self, path):
+ """
+ Load a new P(r) inversion state from file
+
+ :param path: file path
+
+ :return: None
+
+ """
+ if self.cansas == True:
+ return self._read_cansas(path)
+ else:
+ return self._read_standalone(path)
+
+ def _read_standalone(self, path):
+ """
+ Load a new P(r) inversion state from file.
+ The P(r) node is assumed to be the top element.
+
+ :param path: file path
+
+ :return: None
+
+ """
+ # Read the new state from file
+ state = InversionState()
+ state.fromXML(file=path)
+
+ # Call back to post the new state
+ self.state = state
+ #self.call_back(state)
+ return None
+
+ def _parse_prstate(self, entry):
+ """
+ Read a p(r) inversion result from an XML node
+
+ :param entry: XML node to read from
+
+ :return: InversionState object
+
+ """
+ state = None
+
+ # Locate the P(r) node
+ try:
+ nodes = entry.xpath('ns:%s' % PRNODE_NAME,
+ namespaces={'ns': CANSAS_NS})
+ if nodes != []:
+ # Create an empty state
+ state = InversionState()
+ state.fromXML(node=nodes[0])
+ except:
+ msg = "XML document does not contain P(r) "
+ msg += "information.\n %s" % sys.exc_value
+ logging.info(msg)
+
+ return state
+
+ def _read_cansas(self, path):
+ """
+ Load data and P(r) information from a CanSAS XML file.
+
+ :param path: file path
+
+ :return: Data1D object if a single SASentry was found,
+ or a list of Data1D objects if multiple entries were found,
+ or None of nothing was found
+
+ :raise RuntimeError: when the file can't be opened
+ :raise ValueError: when the length of the data vectors are inconsistent
+
+ """
+ output = []
+
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ root, extension = os.path.splitext(basename)
+ #TODO: eventually remove the check for .xml once
+ # the P(r) writer/reader is truly complete.
+ if extension.lower() in self.ext or extension.lower() == '.xml':
+
+ tree = etree.parse(path, parser=etree.ETCompatXMLParser())
+ # Check the format version number
+ # Specifying the namespace will take care of the file
+ #format version
+ root = tree.getroot()
+
+ entry_list = root.xpath('/ns:SASroot/ns:SASentry',
+ namespaces={'ns': CANSAS_NS})
+
+ for entry in entry_list:
+ sas_entry, _ = self._parse_entry(entry)
+ prstate = self._parse_prstate(entry)
+ #prstate could be None when .svs file is loaded
+ #in this case, skip appending to output
+ if prstate != None:
+ sas_entry.meta_data['prstate'] = prstate
+ sas_entry.filename = prstate.file
+ output.append(sas_entry)
+ else:
+ raise RuntimeError, "%s is not a file" % path
+
+ # Return output consistent with the loader's api
+ if len(output) == 0:
+ return None
+ elif len(output) == 1:
+ # Call back to post the new state
+ self.call_back(output[0].meta_data['prstate'], datainfo=output[0])
+ #self.state = output[0].meta_data['prstate']
+ return output[0]
+ else:
+ return output
+
+
+ def write(self, filename, datainfo=None, prstate=None):
+ """
+ Write the content of a Data1D as a CanSAS XML file
+
+ :param filename: name of the file to write
+ :param datainfo: Data1D object
+ :param prstate: InversionState object
+
+ """
+ # Sanity check
+ if self.cansas == True:
+ doc = self.write_toXML(datainfo, prstate)
+ # Write the XML document
+ fd = open(filename, 'w')
+ fd.write(doc.toprettyxml())
+ fd.close()
+ else:
+ prstate.toXML(file=filename)
+
+ def write_toXML(self, datainfo=None, state=None):
+ """
+ Write toXML, a helper for write()
+
+ : return: xml doc
+ """
+ if datainfo is None:
+ datainfo = Data1D(x=[], y=[])
+ elif not issubclass(datainfo.__class__, Data1D):
+ msg = "The cansas writer expects a Data1D "
+ msg += "instance: %s" % str(datainfo.__class__.__name__)
+ raise RuntimeError, msg
+
+ # Create basic XML document
+ doc, sasentry = self._to_xml_doc(datainfo)
+
+ # Add the invariant information to the XML document
+ if state is not None:
+ doc = state.toXML(doc=doc, entry_node=sasentry)
+
+ return doc
diff --git a/src/sas/sasgui/perspectives/pr/media/pr_help.rst b/src/sas/sasgui/perspectives/pr/media/pr_help.rst
new file mode 100644
index 0000000..e355f54
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/media/pr_help.rst
@@ -0,0 +1,76 @@
+.. pr_help.rst
+
+.. This is a port of the original SasView html help file to ReSTructured text
+.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
+
+P(r) Calculation
+================
+
+Description
+-----------
+
+This tool calculates a real-space distance distribution function, *P(r)*, using
+the inversion approach (Moore, 1980).
+
+*P(r)* is set to be equal to an expansion of base functions of the type
+
+.. math::
+ \Phi_{n(r)} = 2 r sin(\frac{\pi n r}{D_{max}})
+
+The coefficient of each base function in the expansion is found by performing
+a least square fit with the following fit function
+
+.. math::
+
+ \chi^2=\frac{\sum_i (I_{meas}(Q_i)-I_{th}(Q_i))^2}{error^2}+Reg\_term
+
+
+where $I_{meas}(Q_i)$ is the measured scattering intensity and $I_{th}(Q_i)$ is
+the prediction from the Fourier transform of the *P(r)* expansion.
+
+The $Reg\_term$ term is a regularization term set to the second derivative
+$d^2P(r)/d^2r$ integrated over $r$. It is used to produce a smooth *P(r)* output.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Using P(r) inversion
+--------------------
+
+The user must enter
+
+* *Number of terms*: the number of base functions in the P(r) expansion.
+
+* *Regularization constant*: a multiplicative constant to set the size of
+ the regularization term.
+
+* *Maximum distance*: the maximum distance between any two points in the
+ system.
+
+P(r) inversion requires that the background be perfectly subtracted. This is
+often difficult to do well and thus many data sets will include a background.
+For those cases, the user should check the "estimate background" box and the
+module will do its best to estimate it.
+
+The P(r) module is constantly computing in the background what the optimum
+*number of terms* should be as well as the optimum *regularization constant*.
+These are constantly updated in the buttons next to the entry boxes on the GUI.
+These are almost always close and unless the user has a good reason to choose
+differently they should just click on the buttons to accept both. {D_max} must
+still be set by the user. However, besides looking at the output, the user can
+click the explore button which will bring up a graph of chi^2 vs Dmax over a
+range around the current Dmax. The user can change the range and the number of
+points to explore in that range. They can also choose to plot several other
+parameters as a function of Dmax including: I0, Rg, Oscillation parameter,
+background, positive fraction, and 1-sigma positive fraction.
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+Reference
+---------
+
+P.B. Moore
+*J. Appl. Cryst.*, 13 (1980) 168-175
+
+.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
+
+.. note:: This help document was last modified by Paul Butler, 05 September, 2016
diff --git a/src/sas/sasgui/perspectives/pr/pr.py b/src/sas/sasgui/perspectives/pr/pr.py
new file mode 100644
index 0000000..3ff74d6
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/pr.py
@@ -0,0 +1,1316 @@
+"""
+ P(r) perspective for SasView
+"""
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+
+# Make sure the option of saving each curve is available
+# Use the I(q) curve as input and compare the output to P(r)
+
+import sys
+import wx
+import logging
+import time
+import math
+import numpy
+import pylab
+from sas.sasgui.guiframe.gui_manager import MDIFrame
+from sas.sasgui.guiframe.dataFitting import Data1D
+from sas.sasgui.guiframe.events import NewPlotEvent
+from sas.sasgui.guiframe.events import StatusEvent
+from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
+from sas.sascalc.pr.invertor import Invertor
+from sas.sascalc.dataloader.loader import Loader
+import sas.sascalc.dataloader
+
+from pr_widgets import load_error
+from sas.sasgui.guiframe.plugin_base import PluginBase
+
+
+PR_FIT_LABEL = r"$P_{fit}(r)$"
+PR_LOADED_LABEL = r"$P_{loaded}(r)$"
+IQ_DATA_LABEL = r"$I_{obs}(q)$"
+IQ_FIT_LABEL = r"$I_{fit}(q)$"
+IQ_SMEARED_LABEL = r"$I_{smeared}(q)$"
+GROUP_ID_IQ_DATA = r"$I_{obs}(q)$"
+GROUP_ID_PR_FIT = r"$P_{fit}(r)$"
+
+
+
+class Plugin(PluginBase):
+ """
+ P(r) inversion perspective
+ """
+ DEFAULT_ALPHA = 0.0001
+ DEFAULT_NFUNC = 10
+ DEFAULT_DMAX = 140.0
+
+ def __init__(self):
+ PluginBase.__init__(self, name="Pr Inversion")
+ ## Simulation window manager
+ self.simview = None
+
+ ## State data
+ self.alpha = self.DEFAULT_ALPHA
+ self.nfunc = self.DEFAULT_NFUNC
+ self.max_length = self.DEFAULT_DMAX
+ self.q_min = None
+ self.q_max = None
+ self.has_bck = False
+ self.slit_height = 0
+ self.slit_width = 0
+ ## Remember last plottable processed
+ self.last_data = ""
+ self._current_file_data = None
+ ## Time elapsed for last computation [sec]
+ # Start with a good default
+ self.elapsed = 0.022
+ self.iq_data_shown = False
+
+ ## Current invertor
+ self.invertor = None
+ self.pr = None
+ self.data_id = IQ_DATA_LABEL
+ # Copy of the last result in case we need to display it.
+ self._last_pr = None
+ self._last_out = None
+ self._last_cov = None
+ ## Calculation thread
+ self.calc_thread = None
+ ## Estimation thread
+ self.estimation_thread = None
+ ## Result panel
+ self.control_panel = None
+ ## Currently views plottable
+ self.current_plottable = None
+ ## Number of P(r) points to display on the output plot
+ self._pr_npts = 51
+ self._normalize_output = False
+ self._scale_output_unity = False
+
+ ## List of added P(r) plots
+ self._added_plots = {}
+ self._default_Iq = {}
+ self.list_plot_id = []
+
+ # Associate the inversion state reader with .prv files
+ from inversion_state import Reader
+
+ # Create a CanSAS/Pr reader
+ self.state_reader = Reader(self.set_state)
+ self._extensions = '.prv'
+ l = Loader()
+ l.associate_file_reader('.prv', self.state_reader)
+ #l.associate_file_reader(".svs", self.state_reader)
+
+ # Log startup
+ logging.info("Pr(r) plug-in started")
+
+ def delete_data(self, data_id):
+ """
+ delete the data association with prview
+ """
+ self.control_panel.clear_panel()
+
+ def get_data(self):
+ """
+ Returns the current data
+ """
+ return self.current_plottable
+
+ def set_state(self, state=None, datainfo=None):
+ """
+ Call-back method for the inversion state reader.
+ This method is called when a .prv file is loaded.
+
+ :param state: InversionState object
+ :param datainfo: Data1D object [optional]
+
+ """
+ try:
+ if datainfo.__class__.__name__ == 'list':
+ if len(datainfo) >= 1:
+ data = datainfo[0]
+ else:
+ data = None
+ else:
+ data = datainfo
+ if data is None:
+ msg = "Pr.set_state: datainfo parameter cannot "
+ msg += "be None in standalone mode"
+ raise RuntimeError, msg
+
+ # Ensuring that plots are coordinated correctly
+ t = time.localtime(data.meta_data['prstate'].timestamp)
+ time_str = time.strftime("%b %d %H:%M", t)
+
+ # Check that no time stamp is already appended
+ max_char = data.meta_data['prstate'].file.find("[")
+ if max_char < 0:
+ max_char = len(data.meta_data['prstate'].file)
+
+ datainfo.meta_data['prstate'].file = \
+ data.meta_data['prstate'].file[0:max_char]\
+ + ' [' + time_str + ']'
+
+ data.filename = data.meta_data['prstate'].file
+ # TODO:
+ #remove this call when state save all information about the gui data
+ # such as ID , Group_ID, etc...
+ #make self.current_plottable = datainfo directly
+ self.current_plottable = self.parent.create_gui_data(data, None)
+ self.current_plottable.group_id = data.meta_data['prstate'].file
+
+ # Make sure the user sees the P(r) panel after loading
+ #self.parent.set_perspective(self.perspective)
+ self.on_perspective(event=None)
+ # Load the P(r) results
+ #state = self.state_reader.get_state()
+ data_dict = {self.current_plottable.id:self.current_plottable}
+ self.parent.add_data(data_list=data_dict)
+ wx.PostEvent(self.parent, NewPlotEvent(plot=self.current_plottable,
+ title=self.current_plottable.title))
+ self.control_panel.set_state(state)
+ except:
+ logging.error("prview.set_state: %s" % sys.exc_value)
+
+
+ def help(self, evt):
+ """
+ Show a general help dialog.
+
+ :TODO: replace the text with a nice image
+
+ """
+ from inversion_panel import HelpDialog
+ dialog = HelpDialog(None, -1)
+ if dialog.ShowModal() == wx.ID_OK:
+ dialog.Destroy()
+ else:
+ dialog.Destroy()
+
+ def _fit_pr(self, evt):
+ """
+ """
+ # Generate P(r) for sphere
+ radius = 60.0
+ d_max = 2 * radius
+
+ r = pylab.arange(0.01, d_max, d_max / 51.0)
+ M = len(r)
+ y = numpy.zeros(M)
+ pr_err = numpy.zeros(M)
+
+ total = 0.0
+ for j in range(M):
+ value = self.pr_theory(r[j], radius)
+ total += value
+ y[j] = value
+ pr_err[j] = math.sqrt(y[j])
+
+ y = y / total * d_max / len(r)
+
+ # Perform fit
+ pr = Invertor()
+ pr.d_max = d_max
+ pr.alpha = 0
+ pr.x = r
+ pr.y = y
+ pr.err = pr_err
+ out, cov = pr.pr_fit()
+ for i in range(len(out)):
+ print "%g +- %g" % (out[i], math.sqrt(cov[i][i]))
+
+ # Show input P(r)
+ title = "Pr"
+ new_plot = Data1D(pr.x, pr.y, dy=pr.err)
+ new_plot.name = "P_{obs}(r)"
+ new_plot.xaxis("\\rm{r}", 'A')
+ new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}")
+ new_plot.group_id = "P_{obs}(r)"
+ new_plot.id = "P_{obs}(r)"
+ new_plot.title = title
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
+
+ # Show P(r) fit
+ self.show_pr(out, pr)
+
+ # Show I(q) fit
+ q = pylab.arange(0.001, 0.1, 0.01 / 51.0)
+ self.show_iq(out, pr, q)
+
+ def show_shpere(self, x, radius=70.0, x_range=70.0):
+ """
+ """
+ # Show P(r)
+ y_true = numpy.zeros(len(x))
+
+ sum_true = 0.0
+ for i in range(len(x)):
+ y_true[i] = self.pr_theory(x[i], radius)
+ sum_true += y_true[i]
+
+ y_true = y_true / sum_true * x_range / len(x)
+
+ # Show the theory P(r)
+ new_plot = Data1D(x, y_true)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ new_plot.name = "P_{true}(r)"
+ new_plot.xaxis("\\rm{r}", 'A')
+ new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}")
+ new_plot.id = "P_{true}(r)"
+ new_plot.group_id = "P_{true}(r)"
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+ #Put this call in plottables/guitools
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
+ title="Sphere P(r)"))
+
+ def get_npts(self):
+ """
+ Returns the number of points in the I(q) data
+ """
+ try:
+ return len(self.pr.x)
+ except:
+ return 0
+
+ def show_iq(self, out, pr, q=None):
+ """
+ Display computed I(q)
+ """
+ qtemp = pr.x
+ if not q == None:
+ qtemp = q
+
+ # Make a plot
+ maxq = -1
+ for q_i in qtemp:
+ if q_i > maxq:
+ maxq = q_i
+
+ minq = 0.001
+
+ # Check for user min/max
+ if not pr.q_min == None:
+ minq = pr.q_min
+ if not pr.q_max == None:
+ maxq = pr.q_max
+
+ x = pylab.arange(minq, maxq, maxq / 301.0)
+ y = numpy.zeros(len(x))
+ err = numpy.zeros(len(x))
+ for i in range(len(x)):
+ value = pr.iq(out, x[i])
+ y[i] = value
+ try:
+ err[i] = math.sqrt(math.fabs(value))
+ except:
+ err[i] = 1.0
+ print "Error getting error", value, x[i]
+
+ new_plot = Data1D(x, y)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ new_plot.name = IQ_FIT_LABEL
+ new_plot.xaxis("\\rm{Q}", 'A^{-1}')
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ title = "I(q)"
+ new_plot.title = title
+
+ # If we have a group ID, use it
+ if pr.info.has_key("plot_group_id"):
+ new_plot.group_id = pr.info["plot_group_id"]
+ new_plot.id = IQ_FIT_LABEL
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
+
+ # If we have used slit smearing, plot the smeared I(q) too
+ if pr.slit_width > 0 or pr.slit_height > 0:
+ x = pylab.arange(minq, maxq, maxq / 301.0)
+ y = numpy.zeros(len(x))
+ err = numpy.zeros(len(x))
+ for i in range(len(x)):
+ value = pr.iq_smeared(out, x[i])
+ y[i] = value
+ try:
+ err[i] = math.sqrt(math.fabs(value))
+ except:
+ err[i] = 1.0
+ print "Error getting error", value, x[i]
+
+ new_plot = Data1D(x, y)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ new_plot.name = IQ_SMEARED_LABEL
+ new_plot.xaxis("\\rm{Q}", 'A^{-1}')
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ # If we have a group ID, use it
+ if pr.info.has_key("plot_group_id"):
+ new_plot.group_id = pr.info["plot_group_id"]
+ new_plot.id = IQ_SMEARED_LABEL
+ new_plot.title = title
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
+
+ def _on_pr_npts(self, evt):
+ """
+ Redisplay P(r) with a different number of points
+ """
+ from inversion_panel import PrDistDialog
+ dialog = PrDistDialog(None, -1)
+ dialog.set_content(self._pr_npts)
+ if dialog.ShowModal() == wx.ID_OK:
+ self._pr_npts = dialog.get_content()
+ dialog.Destroy()
+ self.show_pr(self._last_out, self._last_pr, self._last_cov)
+ else:
+ dialog.Destroy()
+
+
+ def show_pr(self, out, pr, cov=None):
+ """
+ """
+ # Show P(r)
+ x = pylab.arange(0.0, pr.d_max, pr.d_max / self._pr_npts)
+
+ y = numpy.zeros(len(x))
+ dy = numpy.zeros(len(x))
+ y_true = numpy.zeros(len(x))
+
+ total = 0.0
+ pmax = 0.0
+ cov2 = numpy.ascontiguousarray(cov)
+
+ for i in range(len(x)):
+ if cov2 == None:
+ value = pr.pr(out, x[i])
+ else:
+ (value, dy[i]) = pr.pr_err(out, cov2, x[i])
+ total += value * pr.d_max / len(x)
+
+ # keep track of the maximum P(r) value
+ if value > pmax:
+ pmax = value
+
+ y[i] = value
+
+ if self._normalize_output == True:
+ y = y / total
+ dy = dy / total
+ elif self._scale_output_unity == True:
+ y = y / pmax
+ dy = dy / pmax
+
+ if cov2 == None:
+ new_plot = Data1D(x, y)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ else:
+ new_plot = Data1D(x, y, dy=dy)
+ new_plot.name = PR_FIT_LABEL
+ new_plot.xaxis("\\rm{r}", 'A')
+ new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}")
+ new_plot.title = "P(r) fit"
+ new_plot.id = PR_FIT_LABEL
+ # Make sure that the plot is linear
+ new_plot.xtransform = "x"
+ new_plot.ytransform = "y"
+ new_plot.group_id = GROUP_ID_PR_FIT
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="P(r) fit"))
+ return x, pr.d_max
+
+ def load(self, data):
+ """
+ Load data. This will eventually be replaced
+ by our standard DataLoader class.
+ """
+ class FileData(object):
+ x = None
+ y = None
+ err = None
+ path = None
+
+ def __init__(self, path):
+ self.path = path
+
+ self._current_file_data = FileData(data.path)
+
+ # Use data loader to load file
+ dataread = data
+ # Notify the user if we could not read the file
+ if dataread is None:
+ raise RuntimeError, "Invalid data"
+
+ x = None
+ y = None
+ err = None
+ if dataread.__class__.__name__ == 'Data1D':
+ x = dataread.x
+ y = dataread.y
+ err = dataread.dy
+ else:
+ if isinstance(dataread, list) and len(dataread) > 0:
+ x = dataread[0].x
+ y = dataread[0].y
+ err = dataread[0].dy
+ msg = "PrView only allows a single data set at a time. "
+ msg += "Only the first data set was loaded."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ if dataread is None:
+ return x, y, err
+ raise RuntimeError, "This tool can only read 1D data"
+
+ self._current_file_data.x = x
+ self._current_file_data.y = y
+ self._current_file_data.err = err
+ return x, y, err
+
+ def load_columns(self, path="sphere_60_q0_2.txt"):
+ """
+ Load 2- or 3- column ascii
+ """
+ # Read the data from the data file
+ data_x = numpy.zeros(0)
+ data_y = numpy.zeros(0)
+ data_err = numpy.zeros(0)
+ scale = None
+ min_err = 0.0
+ if not path == None:
+ input_f = open(path, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ for line in lines:
+ try:
+ toks = line.split()
+ x = float(toks[0])
+ y = float(toks[1])
+ if len(toks) > 2:
+ err = float(toks[2])
+ else:
+ if scale == None:
+ scale = 0.05 * math.sqrt(y)
+ #scale = 0.05/math.sqrt(y)
+ min_err = 0.01 * y
+ err = scale * math.sqrt(y) + min_err
+ #err = 0
+
+ data_x = numpy.append(data_x, x)
+ data_y = numpy.append(data_y, y)
+ data_err = numpy.append(data_err, err)
+ except:
+ logging.error(sys.exc_value)
+
+ if not scale == None:
+ message = "The loaded file had no error bars, statistical errors are assumed."
+ wx.PostEvent(self.parent, StatusEvent(status=message))
+ else:
+ wx.PostEvent(self.parent, StatusEvent(status=''))
+
+ return data_x, data_y, data_err
+
+ def load_abs(self, path):
+ """
+ Load an IGOR .ABS reduced file
+
+ :param path: file path
+
+ :return: x, y, err vectors
+
+ """
+ # Read the data from the data file
+ data_x = numpy.zeros(0)
+ data_y = numpy.zeros(0)
+ data_err = numpy.zeros(0)
+ scale = None
+ min_err = 0.0
+
+ data_started = False
+ if not path == None:
+ input_f = open(path, 'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ for line in lines:
+ if data_started == True:
+ try:
+ toks = line.split()
+ x = float(toks[0])
+ y = float(toks[1])
+ if len(toks) > 2:
+ err = float(toks[2])
+ else:
+ if scale == None:
+ scale = 0.05 * math.sqrt(y)
+ #scale = 0.05/math.sqrt(y)
+ min_err = 0.01 * y
+ err = scale * math.sqrt(y) + min_err
+ #err = 0
+
+ data_x = numpy.append(data_x, x)
+ data_y = numpy.append(data_y, y)
+ data_err = numpy.append(data_err, err)
+ except:
+ logging.error(sys.exc_value)
+ elif line.find("The 6 columns") >= 0:
+ data_started = True
+
+ if not scale == None:
+ message = "The loaded file had no error bars, statistical errors are assumed."
+ wx.PostEvent(self.parent, StatusEvent(status=message))
+ else:
+ wx.PostEvent(self.parent, StatusEvent(status=''))
+
+ return data_x, data_y, data_err
+
+ def pr_theory(self, r, R):
+ """
+ Return P(r) of a sphere for a given R
+ For test purposes
+ """
+ if r <= 2 * R:
+ return 12.0 * ((0.5 * r / R) ** 2) * ((1.0 - 0.5 * r / R) ** 2) * (2.0 + 0.5 * r / R)
+ else:
+ return 0.0
+
+ def get_context_menu(self, plotpanel=None):
+ """
+ Get the context menu items available for P(r)
+
+ :param graph: the Graph object to which we attach the context menu
+
+ :return: a list of menu items with call-back function
+
+ """
+ graph = plotpanel.graph
+ # Look whether this Graph contains P(r) data
+ if graph.selected_plottable not in plotpanel.plots:
+ return []
+ item = plotpanel.plots[graph.selected_plottable]
+ if item.id == PR_FIT_LABEL:
+ #add_data_hint = "Load a data file and display it on this plot"
+ #["Add P(r) data",add_data_hint , self._on_add_data],
+ change_n_hint = "Change the number of"
+ change_n_hint += " points on the P(r) output"
+ change_n_label = "Change number of P(r) points"
+ m_list = [[change_n_label, change_n_hint, self._on_pr_npts]]
+
+ if self._scale_output_unity or self._normalize_output:
+ hint = "Let the output P(r) keep the scale of the data"
+ m_list.append(["Disable P(r) scaling", hint,
+ self._on_disable_scaling])
+ if not self._scale_output_unity:
+ m_list.append(["Scale P_max(r) to unity",
+ "Scale P(r) so that its maximum is 1",
+ self._on_scale_unity])
+ if not self._normalize_output:
+ m_list.append(["Normalize P(r) to unity",
+ "Normalize the integral of P(r) to 1",
+ self._on_normalize])
+
+ return m_list
+
+ elif item.id in [PR_LOADED_LABEL, IQ_DATA_LABEL, IQ_FIT_LABEL, IQ_SMEARED_LABEL]:
+ return []
+ elif item.id == graph.selected_plottable:
+ if issubclass(item.__class__, Data1D):
+ return [["Compute P(r)",
+ "Compute P(r) from distribution",
+ self._on_context_inversion]]
+ return []
+
+ def _on_disable_scaling(self, evt):
+ """
+ Disable P(r) scaling
+
+ :param evt: Menu event
+
+ """
+ self._normalize_output = False
+ self._scale_output_unity = False
+ self.show_pr(self._last_out, self._last_pr, self._last_cov)
+
+ # Now replot the original added data
+ for plot in self._added_plots:
+ self._added_plots[plot].y = numpy.copy(self._default_Iq[plot])
+ wx.PostEvent(self.parent,
+ NewPlotEvent(plot=self._added_plots[plot],
+ title=self._added_plots[plot].name,
+ update=True))
+
+ # Need the update flag in the NewPlotEvent to protect against
+ # the plot no longer being there...
+
+ def _on_normalize(self, evt):
+ """
+ Normalize the area under the P(r) curve to 1.
+ This operation is done for all displayed plots.
+
+ :param evt: Menu event
+
+ """
+ self._normalize_output = True
+ self._scale_output_unity = False
+
+ self.show_pr(self._last_out, self._last_pr, self._last_cov)
+
+ # Now scale the added plots too
+ for plot in self._added_plots:
+ total = numpy.sum(self._added_plots[plot].y)
+ npts = len(self._added_plots[plot].x)
+ total *= self._added_plots[plot].x[npts - 1] / npts
+ y = self._added_plots[plot].y / total
+
+ new_plot = Data1D(self._added_plots[plot].x, y)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ new_plot.group_id = self._added_plots[plot].group_id
+ new_plot.id = self._added_plots[plot].id
+ new_plot.title = self._added_plots[plot].title
+ new_plot.name = self._added_plots[plot].name
+ new_plot.xaxis("\\rm{r}", 'A')
+ new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}")
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+ wx.PostEvent(self.parent,
+ NewPlotEvent(plot=new_plot, update=True,
+ title=self._added_plots[plot].name))
+
+ def _on_scale_unity(self, evt):
+ """
+ Scale the maximum P(r) value on each displayed plot to 1.
+
+ :param evt: Menu event
+
+ """
+ self._scale_output_unity = True
+ self._normalize_output = False
+
+ self.show_pr(self._last_out, self._last_pr, self._last_cov)
+
+ # Now scale the added plots too
+ for plot in self._added_plots:
+ _max = 0
+ for y in self._added_plots[plot].y:
+ if y > _max:
+ _max = y
+ y = self._added_plots[plot].y / _max
+
+ new_plot = Data1D(self._added_plots[plot].x, y)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ new_plot.name = self._added_plots[plot].name
+ new_plot.xaxis("\\rm{r}", 'A')
+ new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}")
+ self.parent.update_theory(data_id=self.data_id, theory=new_plot)
+ wx.PostEvent(self.parent,
+ NewPlotEvent(plot=new_plot, update=True,
+ title=self._added_plots[plot].name))
+
+ def start_thread(self):
+ """
+ Start a calculation thread
+ """
+ from pr_thread import CalcPr
+
+ # If a thread is already started, stop it
+ if self.calc_thread != None and self.calc_thread.isrunning():
+ self.calc_thread.stop()
+ ## stop just raises the flag -- the thread is supposed to
+ ## then kill itself. In August 2014 it was shown that this is
+ ## incorrectly handled by fitting.py and a fix implemented.
+ ## It is not clear whether it is properly used here, but the
+ ## "fix" of waiting for the previous thread to end breaks the
+ ## pr perspective completely as it causes an infinite loop.
+ ## Thus it is likely the threading is bing properly handled.
+ ## While the "fix" is no longer implemented the comment is
+ ## left here till somebody ascertains that in fact the threads
+ ## are being properly handled.
+ ##
+ ## -PDB January 25, 2015
+
+ pr = self.pr.clone()
+ self.calc_thread = CalcPr(pr, self.nfunc,
+ error_func=self._thread_error,
+ completefn=self._completed, updatefn=None)
+ self.calc_thread.queue()
+ self.calc_thread.ready(2.5)
+
+ def _thread_error(self, error):
+ """
+ Call-back method for calculation errors
+ """
+ wx.PostEvent(self.parent, StatusEvent(status=error))
+
+ def _estimate_completed(self, alpha, message, elapsed):
+ """
+ Parameter estimation completed,
+ display the results to the user
+
+ :param alpha: estimated best alpha
+ :param elapsed: computation time
+
+ """
+ # Save useful info
+ self.elapsed = elapsed
+ self.control_panel.alpha_estimate = alpha
+ if not message == None:
+ wx.PostEvent(self.parent, StatusEvent(status=str(message)))
+ self.perform_estimateNT()
+
+ def _estimateNT_completed(self, nterms, alpha, message, elapsed):
+ """
+ Parameter estimation completed,
+ display the results to the user
+
+ :param alpha: estimated best alpha
+ :param nterms: estimated number of terms
+ :param elapsed: computation time
+
+ """
+ # Save useful info
+ self.elapsed = elapsed
+ self.control_panel.nterms_estimate = nterms
+ self.control_panel.alpha_estimate = alpha
+ if not message == None:
+ wx.PostEvent(self.parent, StatusEvent(status=str(message)))
+
+ def _completed(self, out, cov, pr, elapsed):
+ """
+ wxCallAfter Method called with the results when the inversion
+ is done
+
+ :param out: output coefficient for the base functions
+ :param cov: covariance matrix
+ :param pr: Invertor instance
+ :param elapsed: time spent computing
+ """
+ # Ensure hat you have all inputs are ready at the time call happens:
+ # Without CallAfter, it will freeze with wx >= 2.9.
+ wx.CallAfter(self._completed_call, out, cov, pr, elapsed)
+
+ def _completed_call(self, out, cov, pr, elapsed):
+ """
+ Method called with the results when the inversion
+ is done
+
+ :param out: output coefficient for the base functions
+ :param cov: covariance matrix
+ :param pr: Invertor instance
+ :param elapsed: time spent computing
+
+ """
+ # Save useful info
+ self.elapsed = elapsed
+ # Keep a copy of the last result
+ self._last_pr = pr.clone()
+ self._last_out = out
+ self._last_cov = cov
+
+ # Save Pr invertor
+ self.pr = pr
+ cov = numpy.ascontiguousarray(cov)
+
+ # Show result on control panel
+ self.control_panel.chi2 = pr.chi2
+ self.control_panel.elapsed = elapsed
+ self.control_panel.oscillation = pr.oscillations(out)
+ self.control_panel.positive = pr.get_positive(out)
+ self.control_panel.pos_err = pr.get_pos_err(out, cov)
+ self.control_panel.rg = pr.rg(out)
+ self.control_panel.iq0 = pr.iq0(out)
+ self.control_panel.bck = pr.background
+
+ # Show I(q) fit
+ self.show_iq(out, self.pr)
+
+ # Show P(r) fit
+ self.show_pr(out, self.pr, cov)
+
+ def show_data(self, path=None, data=None, reset=False):
+ """
+ Show data read from a file
+
+ :param path: file path
+ :param reset: if True all other plottables will be cleared
+
+ """
+ #if path is not None:
+ if data is not None:
+ try:
+ pr = self._create_file_pr(data)
+ except:
+ status = "Problem reading data: %s" % sys.exc_value
+ wx.PostEvent(self.parent, StatusEvent(status=status))
+ raise RuntimeError, status
+
+ # If the file contains nothing, just return
+ if pr is None:
+ raise RuntimeError, "Loaded data is invalid"
+
+ self.pr = pr
+
+ # Make a plot of I(q) data
+ if self.pr.err == None:
+ new_plot = Data1D(self.pr.x, self.pr.y)
+ new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
+ else:
+ new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err)
+ new_plot.name = IQ_DATA_LABEL
+ new_plot.xaxis("\\rm{Q}", 'A^{-1}')
+ new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}")
+ new_plot.interactive = True
+ new_plot.group_id = GROUP_ID_IQ_DATA
+ new_plot.id = self.data_id
+ new_plot.title = "I(q)"
+ wx.PostEvent(self.parent,
+ NewPlotEvent(plot=new_plot, title="I(q)", reset=reset))
+
+ self.current_plottable = new_plot
+ # Get Q range
+ self.control_panel.q_min = min(self.pr.x)
+ self.control_panel.q_max = max(self.pr.x)
+
+ def save_data(self, filepath, prstate=None):
+ """
+ Save data in provided state object.
+
+ :TODO: move the state code away from inversion_panel and move it here.
+ Then remove the "prstate" input and make this method private.
+
+ :param filepath: path of file to write to
+ :param prstate: P(r) inversion state
+
+ """
+ #TODO: do we need this or can we use DataLoader.loader.save directly?
+
+ # Add output data and coefficients to state
+ prstate.coefficients = self._last_out
+ prstate.covariance = self._last_cov
+
+ # Write the output to file
+ # First, check that the data is of the right type
+ if issubclass(self.current_plottable.__class__,
+ sas.sascalc.dataloader.data_info.Data1D):
+ self.state_reader.write(filepath, self.current_plottable, prstate)
+ else:
+ msg = "pr.save_data: the data being saved is not a"
+ msg += " sas.data_info.Data1D object"
+ raise RuntimeError, msg
+
+ def setup_plot_inversion(self, alpha, nfunc, d_max, q_min=None, q_max=None,
+ bck=False, height=0, width=0):
+ """
+ Set up inversion from plotted data
+ """
+ self.alpha = alpha
+ self.nfunc = nfunc
+ self.max_length = d_max
+ self.q_min = q_min
+ self.q_max = q_max
+ self.has_bck = bck
+ self.slit_height = height
+ self.slit_width = width
+
+ try:
+ pr = self._create_plot_pr()
+ if not pr == None:
+ self.pr = pr
+ self.perform_inversion()
+ except:
+ wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
+
+ def estimate_plot_inversion(self, alpha, nfunc, d_max,
+ q_min=None, q_max=None,
+ bck=False, height=0, width=0):
+ """
+ Estimate parameters from plotted data
+ """
+ self.alpha = alpha
+ self.nfunc = nfunc
+ self.max_length = d_max
+ self.q_min = q_min
+ self.q_max = q_max
+ self.has_bck = bck
+ self.slit_height = height
+ self.slit_width = width
+
+ try:
+ pr = self._create_plot_pr()
+ if not pr == None:
+ self.pr = pr
+ self.perform_estimate()
+ except:
+ wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
+
+ def _create_plot_pr(self, estimate=False):
+ """
+ Create and prepare invertor instance from
+ a plottable data set.
+
+ :param path: path of the file to read in
+
+ """
+ # Sanity check
+ if self.current_plottable is None:
+ msg = "Please load a valid data set before proceeding."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ return None
+
+ # Get the data from the chosen data set and perform inversion
+ pr = Invertor()
+ pr.d_max = self.max_length
+ pr.alpha = self.alpha
+ pr.q_min = self.q_min
+ pr.q_max = self.q_max
+ pr.x = self.current_plottable.x
+ pr.y = self.current_plottable.y
+ pr.has_bck = self.has_bck
+ pr.slit_height = self.slit_height
+ pr.slit_width = self.slit_width
+
+ # Keep track of the plot window title to ensure that
+ # we can overlay the plots
+ pr.info["plot_group_id"] = self.current_plottable.group_id
+
+ # Fill in errors if none were provided
+ err = self.current_plottable.dy
+ all_zeros = True
+ if err == None:
+ err = numpy.zeros(len(pr.y))
+ else:
+ for i in range(len(err)):
+ if err[i] > 0:
+ all_zeros = False
+
+ if all_zeros:
+ scale = None
+ min_err = 0.0
+ for i in range(len(pr.y)):
+ # Scale the error so that we can fit over several decades of Q
+ if scale == None:
+ scale = 0.05 * math.sqrt(pr.y[i])
+ min_err = 0.01 * pr.y[i]
+ err[i] = scale * math.sqrt(math.fabs(pr.y[i])) + min_err
+ message = "The loaded file had no error bars, "
+ message += "statistical errors are assumed."
+ wx.PostEvent(self.parent, StatusEvent(status=message))
+
+ pr.err = err
+
+ return pr
+
+ def setup_file_inversion(self, alpha, nfunc, d_max, data,
+ path=None, q_min=None, q_max=None,
+ bck=False, height=0, width=0):
+ """
+ Set up inversion
+ """
+ self.alpha = alpha
+ self.nfunc = nfunc
+ self.max_length = d_max
+ self.q_min = q_min
+ self.q_max = q_max
+ self.has_bck = bck
+ self.slit_height = height
+ self.slit_width = width
+
+ try:
+ pr = self._create_file_pr(data)
+ if not pr == None:
+ self.pr = pr
+ self.perform_inversion()
+ except:
+ wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
+
+ def estimate_file_inversion(self, alpha, nfunc, d_max, data,
+ path=None, q_min=None, q_max=None,
+ bck=False, height=0, width=0):
+ """
+ Estimate parameters for inversion
+ """
+ self.alpha = alpha
+ self.nfunc = nfunc
+ self.max_length = d_max
+ self.q_min = q_min
+ self.q_max = q_max
+ self.has_bck = bck
+ self.slit_height = height
+ self.slit_width = width
+
+ try:
+ pr = self._create_file_pr(data)
+ if not pr is None:
+ self.pr = pr
+ self.perform_estimate()
+ except:
+ wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
+
+ def _create_file_pr(self, data):
+ """
+ Create and prepare invertor instance from
+ a file data set.
+
+ :param path: path of the file to read in
+
+ """
+ # Reset the status bar so that we don't get mixed up
+ # with old messages.
+ #TODO: refactor this into a proper status handling
+ wx.PostEvent(self.parent, StatusEvent(status=''))
+ try:
+ class FileData(object):
+ x = None
+ y = None
+ err = None
+ path = None
+ def __init__(self, path):
+ self.path = path
+
+ self._current_file_data = FileData(data.path)
+ self._current_file_data.x = data.x
+ self._current_file_data.y = data.y
+ self._current_file_data.err = data.dy
+ x, y, err = data.x, data.y, data.dy
+ except:
+ load_error(sys.exc_value)
+ return None
+
+ # If the file contains no data, just return
+ if x is None or len(x) == 0:
+ load_error("The loaded file contains no data")
+ return None
+
+ # If we have not errors, add statistical errors
+ if y is not None:
+ if err == None or numpy.all(err) == 0:
+ err = numpy.zeros(len(y))
+ scale = None
+ min_err = 0.0
+ for i in range(len(y)):
+ # Scale the error so that we can fit over several decades of Q
+ if scale == None:
+ scale = 0.05 * math.sqrt(y[i])
+ min_err = 0.01 * y[i]
+ err[i] = scale * math.sqrt(math.fabs(y[i])) + min_err
+ message = "The loaded file had no error bars, "
+ message += "statistical errors are assumed."
+ wx.PostEvent(self.parent, StatusEvent(status=message))
+
+ try:
+ # Get the data from the chosen data set and perform inversion
+ pr = Invertor()
+ pr.d_max = self.max_length
+ pr.alpha = self.alpha
+ pr.q_min = self.q_min
+ pr.q_max = self.q_max
+ pr.x = x
+ pr.y = y
+ pr.err = err
+ pr.has_bck = self.has_bck
+ pr.slit_height = self.slit_height
+ pr.slit_width = self.slit_width
+ return pr
+ except:
+ load_error(sys.exc_value)
+ return None
+
+ def perform_estimate(self):
+ """
+ Perform parameter estimation
+ """
+ from pr_thread import EstimatePr
+
+ # If a thread is already started, stop it
+ if self.estimation_thread != None and \
+ self.estimation_thread.isrunning():
+ self.estimation_thread.stop()
+ ## stop just raises the flag -- the thread is supposed to
+ ## then kill itself. In August 2014 it was shown that this is
+ ## incorrectly handled by fitting.py and a fix implemented.
+ ## It is not clear whether it is properly used here, but the
+ ## "fix" of waiting for the previous thread to end breaks the
+ ## pr perspective completely as it causes an infinite loop.
+ ## Thus it is likely the threading is bing properly handled.
+ ## While the "fix" is no longer implemented the comment is
+ ## left here till somebody ascertains that in fact the threads
+ ## are being properly handled.
+ ##
+ ## -PDB January 25, 2015
+ pr = self.pr.clone()
+ self.estimation_thread = EstimatePr(pr, self.nfunc,
+ error_func=self._thread_error,
+ completefn=self._estimate_completed,
+ updatefn=None)
+ self.estimation_thread.queue()
+ self.estimation_thread.ready(2.5)
+
+ def perform_estimateNT(self):
+ """
+ Perform parameter estimation
+ """
+ from pr_thread import EstimateNT
+
+ # If a thread is already started, stop it
+ if self.estimation_thread != None and self.estimation_thread.isrunning():
+ self.estimation_thread.stop()
+ ## stop just raises the flag -- the thread is supposed to
+ ## then kill itself. In August 2014 it was shown that this is
+ ## incorrectly handled by fitting.py and a fix implemented.
+ ## It is not clear whether it is properly used here, but the
+ ## "fix" of waiting for the previous thread to end breaks the
+ ## pr perspective completely as it causes an infinite loop.
+ ## Thus it is likely the threading is bing properly handled.
+ ## While the "fix" is no longer implemented the comment is
+ ## left here till somebody ascertains that in fact the threads
+ ## are being properly handled.
+ ##
+ ## -PDB January 25, 2015
+ pr = self.pr.clone()
+ # Skip the slit settings for the estimation
+ # It slows down the application and it doesn't change the estimates
+ pr.slit_height = 0.0
+ pr.slit_width = 0.0
+ self.estimation_thread = EstimateNT(pr, self.nfunc,
+ error_func=self._thread_error,
+ completefn=self._estimateNT_completed,
+ updatefn=None)
+ self.estimation_thread.queue()
+ self.estimation_thread.ready(2.5)
+
+ def perform_inversion(self):
+ """
+ Perform inversion
+ """
+ self.start_thread()
+
+ def _on_context_inversion(self, event):
+ """
+ Call-back method for plot context menu
+ """
+ panel = event.GetEventObject()
+ Plugin.on_perspective(self, event=event)
+
+ # If we have more than one displayed plot, make the user choose
+ if len(panel.plots) >= 1 and \
+ panel.graph.selected_plottable in panel.plots:
+ dataset = panel.plots[panel.graph.selected_plottable].name
+ else:
+ logging.info("Prview Error: No data is available")
+ return
+
+ # Store a reference to the current plottable
+ # If we have a suggested value, use it.
+ try:
+ estimate = float(self.control_panel.alpha_estimate)
+ self.control_panel.alpha = estimate
+ except:
+ self.control_panel.alpha = self.alpha
+ logging.info("Prview :Alpha Not estimate yet")
+ try:
+ estimate = int(self.control_panel.nterms_estimate)
+ self.control_panel.nfunc = estimate
+ except:
+ self.control_panel.nfunc = self.nfunc
+ logging.info("Prview : ntemrs Not estimate yet")
+
+ self.current_plottable = panel.plots[panel.graph.selected_plottable]
+ self.set_data([self.current_plottable])
+ self.control_panel.plotname = dataset
+ #self.control_panel.nfunc = self.nfunc
+ self.control_panel.d_max = self.max_length
+ #self.parent.set_perspective(self.perspective)
+ self.control_panel._on_invert(None)
+
+ def get_panels(self, parent):
+ """
+ Create and return a list of panel objects
+ """
+ from inversion_panel import InversionControl
+
+ self.parent = parent
+ self.frame = MDIFrame(self.parent, None, 'None', (100, 200))
+ self.control_panel = InversionControl(self.frame, -1,
+ style=wx.RAISED_BORDER)
+ self.frame.set_panel(self.control_panel)
+ self._frame_set_helper()
+ self.control_panel.set_manager(self)
+ self.control_panel.nfunc = self.nfunc
+ self.control_panel.d_max = self.max_length
+ self.control_panel.alpha = self.alpha
+ self.perspective = []
+ self.perspective.append(self.control_panel.window_name)
+
+ return [self.control_panel]
+
+ def set_data(self, data_list=None):
+ """
+ receive a list of data to compute pr
+ """
+ if data_list is None:
+ data_list = []
+ if len(data_list) >= 1:
+ if len(data_list) == 1:
+ data = data_list[0]
+ else:
+ data_1d_list = []
+ data_2d_list = []
+ error_msg = ""
+ # separate data into data1d and data2d list
+ for data in data_list:
+ if data is not None:
+ if issubclass(data.__class__, Data1D):
+ data_1d_list.append(data)
+ else:
+ error_msg += " %s type %s \n" % (str(data.name),
+ str(data.__class__.__name__))
+ data_2d_list.append(data)
+ if len(data_2d_list) > 0:
+ msg = "PrView does not support the following data types:\n"
+ msg += error_msg
+ if len(data_1d_list) == 0:
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+ return
+ msg = "Prview does not allow multiple data!\n"
+ msg += "Please select one.\n"
+ if len(data_list) > 1:
+ from pr_widgets import DataDialog
+ dlg = DataDialog(data_list=data_1d_list, text=msg)
+ if dlg.ShowModal() == wx.ID_OK:
+ data = dlg.get_data()
+ else:
+ data = None
+ dlg.Destroy()
+ if data is None:
+ msg += "PrView receives no data. \n"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+ return
+ if issubclass(data.__class__, Data1D):
+ try:
+ wx.PostEvent(self.parent,
+ NewPlotEvent(action='remove',
+ group_id=GROUP_ID_IQ_DATA,
+ id=self.data_id))
+ self.data_id = data.id
+ self.control_panel._change_file(evt=None, data=data)
+ except:
+ msg = "Prview Set_data: " + str(sys.exc_value)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
+ else:
+ msg = "Pr cannot be computed for data of "
+ msg += "type %s" % (data_list[0].__class__.__name__)
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='error'))
+ else:
+ msg = "Pr contain no data"
+ wx.PostEvent(self.parent, StatusEvent(status=msg, info='warning'))
+
+ def post_init(self):
+ """
+ Post initialization call back to close the loose ends
+ [Somehow openGL needs this call]
+ """
+ pass
diff --git a/src/sas/sasgui/perspectives/pr/pr_thread.py b/src/sas/sasgui/perspectives/pr/pr_thread.py
new file mode 100644
index 0000000..16d25b6
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/pr_thread.py
@@ -0,0 +1,113 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+import sys
+import time
+from sas.sascalc.data_util.calcthread import CalcThread
+
+class CalcPr(CalcThread):
+ """
+ Compute P(r)
+ """
+
+ def __init__(self, pr, nfunc=5, error_func=None, completefn=None,
+ updatefn=None, yieldtime=0.01, worktime=0.01):
+ """
+ """
+ CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime)
+ self.pr = pr
+ self.nfunc = nfunc
+ self.error_func = error_func
+ self.starttime = 0
+
+ def compute(self):
+ """
+ Perform P(r) inversion
+ """
+ try:
+ self.starttime = time.time()
+ out, cov = self.pr.invert(self.nfunc)
+ elapsed = time.time() - self.starttime
+ self.complete(out=out, cov=cov, pr=self.pr, elapsed=elapsed)
+ except KeyboardInterrupt:
+ # Thread was interrupted, just proceed
+ pass
+ except:
+ if not self.error_func == None:
+ self.error_func("CalcPr.compute: %s" % sys.exc_value)
+
+class EstimatePr(CalcThread):
+ """
+ Estimate P(r)
+ """
+
+ def __init__(self, pr, nfunc=5, error_func=None, completefn=None,
+ updatefn=None, yieldtime=0.01, worktime=0.01):
+ CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime)
+ self.pr = pr
+ self.nfunc = nfunc
+ self.error_func = error_func
+ self.starttime = 0
+
+ def compute(self):
+ """
+ Calculates the estimate
+ """
+ try:
+ alpha, message, elapsed = self.pr.estimate_alpha(self.nfunc)
+ self.isquit()
+ self.complete(alpha=alpha, message=message, elapsed=elapsed)
+ except KeyboardInterrupt:
+ # Thread was interrupted, just proceed
+ pass
+ except:
+ if not self.error_func == None:
+ self.error_func("EstimatePr.compute: %s" % sys.exc_value)
+
+class EstimateNT(CalcThread):
+ """
+ """
+ def __init__(self, pr, nfunc=5, error_func=None, completefn=None,
+ updatefn=None, yieldtime=0.01, worktime=0.01):
+ CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime)
+ self.pr = pr
+ self.nfunc = nfunc
+ self.error_func = error_func
+ self.starttime = 0
+ self._time_for_sleep = 0
+ self._sleep_delay = 1.0
+
+
+ def isquit(self):
+ """
+ """
+ CalcThread.isquit(self)
+ if time.time() > self._time_for_sleep + self._sleep_delay:
+ time.sleep(.2)
+ self._time_for_sleep = time.time()
+
+ def compute(self):
+ """
+ Calculates the estimate
+ """
+ try:
+ t_0 = time.time()
+ self._time_for_sleep = t_0
+ nterms, alpha, message = self.pr.estimate_numterms(self.isquit)
+ t_1 = time.time() - t_0
+ self.isquit()
+ self.complete(nterms=nterms, alpha=alpha, message=message, elapsed=t_1)
+ except KeyboardInterrupt:
+ # Thread was interrupted, just proceed
+ pass
+ except:
+ if not self.error_func == None:
+ self.error_func("EstimatePr2.compute: %s" % sys.exc_value)
diff --git a/src/sas/sasgui/perspectives/pr/pr_widgets.py b/src/sas/sasgui/perspectives/pr/pr_widgets.py
new file mode 100644
index 0000000..21492ab
--- /dev/null
+++ b/src/sas/sasgui/perspectives/pr/pr_widgets.py
@@ -0,0 +1,223 @@
+
+################################################################################
+#This software was developed by the University of Tennessee as part of the
+#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+#project funded by the US National Science Foundation.
+#
+#See the license text in license.txt
+#
+#copyright 2009, University of Tennessee
+################################################################################
+
+"""
+Text controls for input/output of the main PrView panel
+"""
+
+import wx
+import os
+from wx.lib.scrolledpanel import ScrolledPanel
+
+WIDTH = 400
+HEIGHT = 350
+
+
+class DialogPanel(ScrolledPanel):
+ def __init__(self, *args, **kwds):
+ ScrolledPanel.__init__(self, *args, **kwds)
+ self.SetupScrolling()
+
+
+class PrTextCtrl(wx.TextCtrl):
+ """
+ Text control for model and fit parameters.
+ Binds the appropriate events for user interactions.
+ """
+ def __init__(self, *args, **kwds):
+
+ wx.TextCtrl.__init__(self, *args, **kwds)
+
+ ## Set to True when the mouse is clicked while the whole string is selected
+ self.full_selection = False
+ ## Call back for EVT_SET_FOCUS events
+ _on_set_focus_callback = None
+ # Bind appropriate events
+ self.Bind(wx.EVT_LEFT_UP, self._highlight_text)
+ self.Bind(wx.EVT_SET_FOCUS, self._on_set_focus)
+
+ def _on_set_focus(self, event):
+ """
+ Catch when the text control is set in focus to highlight the whole
+ text if necessary
+
+ :param event: mouse event
+
+ """
+ event.Skip()
+ self.full_selection = True
+
+ def _highlight_text(self, event):
+ """
+ Highlight text of a TextCtrl only of no text has be selected
+
+ :param event: mouse event
+
+ """
+ # Make sure the mouse event is available to other listeners
+ event.Skip()
+ control = event.GetEventObject()
+ if self.full_selection:
+ self.full_selection = False
+ # Check that we have a TextCtrl
+ if issubclass(control.__class__, wx.TextCtrl):
+ # Check whether text has been selected,
+ # if not, select the whole string
+ (start, end) = control.GetSelection()
+ if start == end:
+ control.SetSelection(-1, -1)
+
+class OutputTextCtrl(wx.TextCtrl):
+ """
+ Text control used to display outputs.
+ No editing allowed. The background is
+ grayed out. User can't select text.
+ """
+ def __init__(self, *args, **kwds):
+ """
+ """
+ wx.TextCtrl.__init__(self, *args, **kwds)
+ self.SetEditable(False)
+ self.SetBackgroundColour(self.GetParent().GetBackgroundColour())
+
+ # Bind to mouse event to avoid text highlighting
+ # The event will be skipped once the call-back
+ # is called.
+ self.Bind(wx.EVT_MOUSE_EVENTS, self._click)
+
+ def _click(self, event):
+ """
+ Prevent further handling of the mouse event
+ by not calling Skip().
+ """
+ pass
+
+
+class DataFileTextCtrl(OutputTextCtrl):
+ """
+ Text control used to display only the file name
+ given a full path.
+
+ :TODO: now that we no longer choose the data file from the panel,
+ it's no longer necessary to pass around the file path. That code
+ should be refactored away and simplified.
+ """
+ def __init__(self, *args, **kwds):
+ """
+ """
+ OutputTextCtrl.__init__(self, *args, **kwds)
+ self._complete_path = None
+
+ def SetValue(self, value):
+ """
+ Sets the file name given a path
+ """
+ self._complete_path = str(value)
+ file_path = os.path.basename(self._complete_path)
+ OutputTextCtrl.SetValue(self, file_path)
+
+ def GetValue(self):
+ """
+ Return the full path
+ """
+ return self._complete_path
+
+
+def load_error(error=None):
+ """
+ Pop up an error message.
+
+ :param error: details error message to be displayed
+ """
+ message = "The data file you selected could not be loaded.\n"
+ message += "Make sure the content of your file is properly formatted.\n\n"
+
+ if error is not None:
+ message += "When contacting the DANSE team, mention the"
+ message += " following:\n%s" % str(error)
+
+ dial = wx.MessageDialog(None, message, 'Error Loading File',
+ wx.OK | wx.ICON_EXCLAMATION)
+ dial.ShowModal()
+
+
+class DataDialog(wx.Dialog):
+ """
+ Allow file selection at loading time
+ """
+ def __init__(self, data_list, parent=None, text='', *args, **kwds):
+ kwds['size'] = (WIDTH, HEIGHT)
+ kwds['title'] = "Data Selection"
+ wx.Dialog.__init__(self, parent, *args, **kwds)
+ self.list_of_ctrl = []
+ self._sizer_main = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_txt = wx.BoxSizer(wx.VERTICAL)
+ self._sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ self._choice_sizer = wx.GridBagSizer(5, 5)
+ self._panel = DialogPanel(self, style=wx.RAISED_BORDER,
+ size=(WIDTH - 20, HEIGHT / 3))
+
+ self.__do_layout(data_list, text=text)
+
+ def __do_layout(self, data_list, text=''):
+ """
+ layout the dialog
+ """
+ #add text
+ if text.strip() == "":
+ text = "This Perspective does not allow multiple data !\n"
+ text += "Please select only one Data.\n"
+ text_ctrl = wx.TextCtrl(self, -1, str(text), style=wx.TE_MULTILINE,
+ size=(-1, HEIGHT / 3))
+ text_ctrl.SetEditable(False)
+ self._sizer_txt.Add(text_ctrl, 1, wx.EXPAND | wx.ALL, 10)
+ iy = 0
+ ix = 0
+ rbox = wx.RadioButton(self._panel, -1, str(data_list[0].name),
+ (10, 10), style=wx.RB_GROUP)
+ rbox.SetValue(True)
+ self.list_of_ctrl.append((rbox, data_list[0]))
+ self._choice_sizer.Add(rbox, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ for i in range(1, len(data_list)):
+ iy += 1
+ rbox = wx.RadioButton(self._panel, -1,
+ str(data_list[i].name), (10, 10))
+ rbox.SetValue(False)
+ self.list_of_ctrl.append((rbox, data_list[i]))
+ self._choice_sizer.Add(rbox, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ self._panel.SetSizer(self._choice_sizer)
+ #add sizer
+ self._sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
+ self._sizer_button.Add(button_cancel, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ button_ok = wx.Button(self, wx.ID_OK, "Ok")
+ button_ok.SetFocus()
+ self._sizer_button.Add(button_ok, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ static_line = wx.StaticLine(self, -1)
+
+ self._sizer_txt.Add(self._panel, 0, wx.EXPAND | wx.ALL, 5)
+ self._sizer_main.Add(self._sizer_txt, 0, wx.EXPAND | wx.ALL, 5)
+ self._sizer_main.Add(static_line, 0, wx.EXPAND, 0)
+ self._sizer_main.Add(self._sizer_button, 0, wx.EXPAND | wx.ALL, 10)
+ self.SetSizer(self._sizer_main)
+
+ def get_data(self):
+ """
+ return the selected data
+ """
+ for item in self.list_of_ctrl:
+ rbox, data = item
+ if rbox.GetValue():
+ return data
diff --git a/src/sas/sasgui/perspectives/simulation/ShapeAdapter.py b/src/sas/sasgui/perspectives/simulation/ShapeAdapter.py
new file mode 100644
index 0000000..a25635a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/simulation/ShapeAdapter.py
@@ -0,0 +1,133 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2009, University of Tennessee
+"""
+import sas.sascalc.realspace.VolumeCanvas as VolumeCanvas
+
+class ShapeVisitor:
+ """
+ The shape visitor process a GUI object representing
+ a shape and returns a shape description that can be
+ processed by the VolumeCanvas.
+ """
+
+ def __init__(self):
+ """
+ Initialize visitor
+ """
+ ## Place holder for the simulation canvas
+ self.sim_canvas = None
+
+ def fromCylinder(self, cyl):
+ """
+ Create a simulation cylinder descriptor (computation)
+ from the information produced by the GUI
+ @param cyl: Cylinder object from the GUI canvas
+ @return: VolumeCanvas.CylinderDescriptor object
+ """
+ from sas.sascalc.realspace.VolumeCanvas import CylinderDescriptor
+ desc = CylinderDescriptor()
+
+ desc.params["center"] = [cyl.x, cyl.y, cyl.z]
+ # Orientation are angular offsets in degrees with respect to X, Y, Z
+ desc.params["orientation"] = [cyl.theta_x, cyl.theta_y, cyl.theta_z]
+ desc.params["order"] = cyl.params["order"]
+
+
+ # Length of the cylinder
+ desc.params["length"] = cyl.params["length"]
+ # Radius of the cylinder
+ desc.params["radius"] = cyl.params["radius"]
+ # Constrast parameter
+ desc.params["contrast"] = cyl.params["contrast"]
+
+ return desc
+
+ def fromSphere(self, sph):
+ """
+ Create a simulation sphere descriptor (computation)
+ from the information produced by the GUI
+ @param sph: Sphere object from the GUI canvas
+ @return: VolumeCanvas.SphereDescriptor object
+ """
+ from sas.sascalc.realspace.VolumeCanvas import SphereDescriptor
+ desc = SphereDescriptor()
+
+ desc.params["center"] = [sph.x, sph.y, sph.z]
+ desc.params["order"] = sph.params["order"]
+ # Radius of the sphere
+ desc.params["radius"] = sph.params["radius"]
+ # Constrast parameter
+ desc.params["contrast"] = sph.params["contrast"]
+
+ return desc
+
+ def update_sphere(self, sph):
+ """
+ Update a shape description in the simulation canvas (computation)
+ according to the new parameters of the GUI canvas.
+ @param sph: Sphere object from the GUI canvas
+ """
+ # Check class
+ if self.sim_canvas.shapes[sph.name].__class__.__name__=="SphereDescriptor":
+ desc = self.sim_canvas.shapes[sph.name]
+
+ desc.params["center"] = [sph.x, sph.y, sph.z]
+ desc.params["order"] = sph.params["order"]
+ # Radius of the sphere
+ desc.params["radius"] = sph.params["radius"]
+ # Constrast parameter
+ desc.params["contrast"] = sph.params["contrast"]
+
+ self.sim_canvas._model_changed()
+ else:
+ raise ValueError, "SimShapeVisitor: Wrong class for visited object"
+
+
+
+ def update_cylinder(self, cyl):
+ """
+ Update a shape description in the simulation canvas (computation)
+ according to the new parameters of the GUI canvas.
+ @param cyl: Cylinder object from the GUI canvas
+ """
+ # Check class
+ if self.sim_canvas.shapes[cyl.name].__class__.__name__=="CylinderDescriptor":
+ desc = self.sim_canvas.shapes[cyl.name]
+
+ desc.params["center"] = [cyl.x, cyl.y, cyl.z]
+ # Orientation are angular offsets in degrees with respect to X, Y, Z
+ desc.params["orientation"] = [cyl.theta_x, cyl.theta_y, cyl.theta_z]
+ desc.params["order"] = cyl.params["order"]
+
+ # Length of the cylinder
+ desc.params["length"] = cyl.params["length"]
+ # Radius of the cylinder
+ desc.params["radius"] = cyl.params["radius"]
+ # Constrast parameter
+ desc.params["contrast"] = cyl.params["contrast"]
+
+ self.sim_canvas._model_changed()
+ else:
+ raise ValueError, "SimShapeVisitor: Wrong class for visited object"
+
+
+ def update(self, volCanvas, shape):
+ """
+ Update the shape descriptor in the VolumeCanvas
+ corresponding to the given 'shape' parameter
+
+ @param volCanvas: VolumeCanvas object
+ @param shape: SimCanvas.BaseShape object
+ """
+ if shape.name in volCanvas.getShapeList():
+ self.sim_canvas = volCanvas
+ shape.accept_update(self)
+ else:
+ raise ValueError, "ShapeAdapter: Shape [%s] not in list" % shape.name
+
diff --git a/src/sas/sasgui/perspectives/simulation/ShapeParameters.py b/src/sas/sasgui/perspectives/simulation/ShapeParameters.py
new file mode 100644
index 0000000..f90c68e
--- /dev/null
+++ b/src/sas/sasgui/perspectives/simulation/ShapeParameters.py
@@ -0,0 +1,489 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2009, University of Tennessee
+"""
+import wx
+import sys
+import wx.lib.newevent
+from copy import deepcopy
+import SimCanvas
+
+(CreateShapeEvent, EVT_ADD_SHAPE) = wx.lib.newevent.NewEvent()
+(EditShapeEvent, EVT_EDIT_SHAPE) = wx.lib.newevent.NewEvent()
+(DelShapeEvent, EVT_DEL_SHAPE) = wx.lib.newevent.NewEvent()
+(QRangeEvent, EVT_Q_RANGE) = wx.lib.newevent.NewEvent()
+(PtDensityEvent, EVT_PT_DENSITY) = wx.lib.newevent.NewEvent()
+
+class ShapeParameterPanel(wx.Panel):
+ #TODO: show units
+ #TODO: order parameters properly
+ CENTER_PANE = True
+
+ def __init__(self, parent, q_min=0.001, q_max=0.5, q_npts=10, pt_density=0.1, *args, **kwargs):
+ wx.Panel.__init__(self, parent, *args, **kwargs)
+
+ self.window_name = "ShapeParams"
+ self.window_caption = "Shape parameter"
+
+
+ self.params = {}
+ self.parent = parent
+ self.type = None
+ self.listeners = []
+ self.parameters = []
+ self.bck = wx.GridBagSizer(5,5)
+ self.SetSizer(self.bck)
+
+ # position and orientation ctrl
+ self.xctrl = None
+ self.yctrl = None
+ self.zctrl = None
+ self.actrl = None
+ self.bctrl = None
+ self.cctrl = None
+
+ # Sizer to hold the shape parameters
+ self.shape_sizer = wx.GridBagSizer(5,5)
+
+ ny = 0
+ title = wx.StaticText(self, -1, "[Temporary form]", style=wx.ALIGN_LEFT)
+ self.bck.Add(title, (ny,0), (1,2), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border=15)
+
+ # Shape list
+ shape_text = wx.StaticText(self, -1, "Geometric shape", style=wx.ALIGN_LEFT)
+ self.shape_list = SimCanvas.getShapes()
+ value_list = []
+ for item in self.shape_list:
+ value_list.append(item['name'])
+
+ self.model_combo = wx.ComboBox(self, -1, value=value_list[0], choices=value_list, style=wx.CB_READONLY)
+ self.model_combo.SetToolTip(wx.ToolTip("Select a geometric shape from the drop-down list"))
+
+ ny+=1
+ self.bck.Add(shape_text, (ny,0), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border=15)
+ self.bck.Add(self.model_combo, (ny,1), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border=15)
+ wx.EVT_COMBOBOX(self.model_combo,-1, self._on_select_shape)
+
+ # Placeholder for parameter form
+ ny+=1
+ self.bck.Add(self.shape_sizer, (ny,0), (1,2), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border=0)
+
+ # Point density control
+ point_density_text = wx.StaticText(self, -1, "Point density", style=wx.ALIGN_LEFT)
+ ny+=1
+ self.bck.Add(point_density_text, (ny,0), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ self.point_density_ctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.point_density_ctrl.SetValue(str(pt_density))
+ self.point_density_ctrl.SetToolTip(wx.ToolTip("Enter the number of real-space points per Angstrom cube"))
+ self.point_density_ctrl.Bind(wx.EVT_TEXT_ENTER, self._on_density_changed)
+ self.point_density_ctrl.Bind(wx.EVT_KILL_FOCUS, self._on_density_changed)
+ self.bck.Add(self.point_density_ctrl, (ny,1), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+ # Q range
+ q_min_text = wx.StaticText(self, -1, "Q min", style=wx.ALIGN_LEFT)
+ ny+=1
+ self.bck.Add(q_min_text, (ny,0), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ self.q_min_ctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.q_min_ctrl.SetValue(str(q_min))
+ self.q_min_ctrl.SetToolTip(wx.ToolTip("Enter the minimum Q value to be simulated"))
+ self.q_min_ctrl.Bind(wx.EVT_TEXT_ENTER, self._on_q_range_changed)
+ self.q_min_ctrl.Bind(wx.EVT_KILL_FOCUS, self._on_q_range_changed)
+ self.bck.Add(self.q_min_ctrl, (ny,1), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+ q_max_text = wx.StaticText(self, -1, "Q max", style=wx.ALIGN_LEFT)
+ self.bck.Add(q_max_text, (ny,2), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ self.q_max_ctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.q_max_ctrl.SetValue(str(q_max))
+ self.q_min_ctrl.SetToolTip(wx.ToolTip("Enter the maximum Q value to be simulated"))
+ self.q_max_ctrl.Bind(wx.EVT_TEXT_ENTER, self._on_q_range_changed)
+ self.q_max_ctrl.Bind(wx.EVT_KILL_FOCUS, self._on_q_range_changed)
+ self.bck.Add(self.q_max_ctrl, (ny,3), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+ q_npts_text = wx.StaticText(self, -1, "No. of Q pts", style=wx.ALIGN_LEFT)
+ self.bck.Add(q_npts_text, (ny,4), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ self.q_npts_ctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.q_npts_ctrl.SetValue(str(q_npts))
+ self.q_min_ctrl.SetToolTip(wx.ToolTip("Enter the number of Q points to be simulated"))
+ self.q_npts_ctrl.Bind(wx.EVT_TEXT_ENTER, self._on_q_range_changed)
+ self.q_npts_ctrl.Bind(wx.EVT_KILL_FOCUS, self._on_q_range_changed)
+ self.bck.Add(self.q_npts_ctrl, (ny,5), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+ # Shape List
+ # Internal counter of shapes in the listbox
+ self.counter = 0
+ # Buffer filled flag
+ self.buffer_filled = False
+ # Save current flag
+ self.current_saved = False
+
+ id = wx.NewId()
+ shape_listbox_text = wx.StaticText(self, -1, "List of shapes on 3D canvas", style=wx.ALIGN_LEFT)
+ self.shape_listbox = wx.ListBox(self, id, wx.DefaultPosition, (295, 200),
+ [], wx.LB_SINGLE | wx.LB_HSCROLL)
+
+ # Listen to history events
+ self.parent.Bind(EVT_ADD_SHAPE, self._on_add_shape_to_listbox)
+ self.shape_listbox.Bind(wx.EVT_LISTBOX, self._on_select_from_listbox, id=id)
+ self.shape_listbox.Bind(wx.EVT_CONTEXT_MENU, self._on_listbox_context_menu, id=id)
+
+ ny+=1
+ self.bck.Add(shape_listbox_text, (ny,0), (1,2), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ ny+=1
+ self.bck.Add(self.shape_listbox, (ny,0), (1,5), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+ self.current_shape = None
+
+ # Default shape
+ if type(self.shape_list)==list and len(self.shape_list)>0:
+ shape = SimCanvas.getShapeClassByName(self.shape_list[0]['name'])()
+ self.editShape(shape)
+
+ def _on_select_shape(self, event):
+ shape = SimCanvas.getShapeClassByName(self.shape_list[event.GetEventObject().GetSelection()]['name'])()
+ self.editShape(shape)
+
+ def _on_density_changed(self, event):
+ """
+ Process event that might mean a change of the simulation point density
+ """
+ npts = self._readCtrlFloat(self.point_density_ctrl)
+ if npts is not None:
+ event = PtDensityEvent(npts=npts)
+ wx.PostEvent(self.parent, event)
+
+ def _on_q_range_changed(self, event):
+ """
+ Process event that might mean a change in Q range
+ @param event: EVT_Q_RANGE event
+ """
+ q_min = self._readCtrlFloat(self.q_min_ctrl)
+ q_max = self._readCtrlFloat(self.q_max_ctrl)
+ npts = self._readCtrlInt(self.q_npts_ctrl)
+ if q_min is not None or q_max is not None or npts is not None:
+ event = QRangeEvent(q_min=q_min, q_max=q_max, npts=npts)
+ wx.PostEvent(self.parent, event)
+
+ def _onEditShape(self, evt):
+ """
+ Process an EVT_EDIT_SHAPE event
+ @param evt: EVT_EDIT_SHAPE object
+ """
+ evt.Skip()
+ self.editShape(evt.shape, False)
+
+ def editShape(self, shape=None, new=True):
+ """
+ Rebuild the panel
+ """
+ self.current_shape = shape
+ self.shape_sizer.Clear(True)
+ #self.type = type
+
+ if shape==None:
+ title = wx.StaticText(self, -1, "Use menu to add a shapes", style=wx.ALIGN_LEFT)
+ self.shape_sizer.Add(title, (0,0), (1,2), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border=15)
+
+ else:
+ if new==False:
+ title = wx.StaticText(self, -1, "Edit shape parameters", style=wx.ALIGN_LEFT)
+ else:
+ title = wx.StaticText(self, -1, "Create shape from parameters", style=wx.ALIGN_LEFT)
+
+ self.shape_sizer.Add(title, (0,0), (1,2), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border=15)
+
+ n = 1
+ self.parameters = []
+ keys = shape.params.keys()
+ keys.sort()
+
+ for item in keys:
+ if item in ['contrast', 'order']:
+ continue
+ n += 1
+ text = wx.StaticText(self, -1, item, style=wx.ALIGN_LEFT)
+ self.shape_sizer.Add(text, (n-1,0), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ ctl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+
+
+ ctl.SetValue(str(shape.params[item]))
+ self.Bind(wx.EVT_TEXT_ENTER, self.onTextEnter)
+ ctl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ self.parameters.append([item, ctl])
+ self.shape_sizer.Add(ctl, (n-1,1), flag=wx.TOP|wx.BOTTOM, border = 0)
+
+ # Units
+ units = wx.StaticText(self, -1, shape.details[item], style=wx.ALIGN_LEFT)
+ self.shape_sizer.Add(units, (n-1,2), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+ for item in ['contrast', 'order']:
+ n += 1
+ text = wx.StaticText(self, -1, item, style=wx.ALIGN_LEFT)
+ self.shape_sizer.Add(text, (n-1,0), flag = wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+ ctl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+
+
+ ctl.SetValue(str(shape.params[item]))
+ self.Bind(wx.EVT_TEXT_ENTER, self.onTextEnter)
+ ctl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ self.parameters.append([item, ctl])
+ self.shape_sizer.Add(ctl, (n-1,1), flag=wx.TOP|wx.BOTTOM, border = 0)
+
+ # Units
+ units = wx.StaticText(self, -1, shape.details[item], style=wx.ALIGN_LEFT)
+ self.shape_sizer.Add(units, (n-1,2), flag=wx.LEFT|wx.ALIGN_CENTER_VERTICAL, border = 15)
+
+
+ # Add position
+ n += 1
+
+ pos_sizer = wx.GridBagSizer(0,0)
+
+ text = wx.StaticText(self, -1, 'x', style=wx.ALIGN_LEFT)
+ pos_sizer.Add(text, (0,0), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ text = wx.StaticText(self, -1, 'y', style=wx.ALIGN_LEFT)
+ pos_sizer.Add(text, (0,1), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ text = wx.StaticText(self, -1, 'z', style=wx.ALIGN_LEFT)
+ pos_sizer.Add(text, (0,2), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+
+ self.xctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.xctrl.SetValue(str(shape.x))
+ self.xctrl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ pos_sizer.Add(self.xctrl, (1,0), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ self.yctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.yctrl.SetValue(str(shape.y))
+ self.yctrl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ pos_sizer.Add(self.yctrl, (1,1), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ self.zctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.zctrl.SetValue(str(shape.z))
+ self.zctrl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ pos_sizer.Add(self.zctrl, (1,2), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+
+ self.shape_sizer.Add(pos_sizer, (n-1, 0), (1,3), flag=wx.LEFT|wx.ALIGN_CENTER)
+
+ # Add orientation
+ n += 1
+
+ pos_sizer = wx.GridBagSizer(0,0)
+
+ text = wx.StaticText(self, -1, 'theta_x', style=wx.ALIGN_LEFT)
+ pos_sizer.Add(text, (0,0), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ text = wx.StaticText(self, -1, 'theta_y', style=wx.ALIGN_LEFT)
+ pos_sizer.Add(text, (0,1), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ text = wx.StaticText(self, -1, 'theta_z', style=wx.ALIGN_LEFT)
+ pos_sizer.Add(text, (0,2), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+
+ self.actrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.actrl.SetValue(str(shape.theta_x))
+ self.actrl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ pos_sizer.Add(self.actrl, (1,0), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ self.bctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.bctrl.SetValue(str(shape.theta_y))
+ self.bctrl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ pos_sizer.Add(self.bctrl, (1,1), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+ self.cctrl = wx.TextCtrl(self, -1, size=(40,20), style=wx.TE_PROCESS_ENTER)
+ self.cctrl.SetValue(str(shape.theta_z))
+ self.cctrl.Bind(wx.EVT_KILL_FOCUS, self.onTextEnter)
+ pos_sizer.Add(self.cctrl, (1,2), (1,1), flag = wx.LEFT|wx.ALIGN_CENTER, border = 15)
+
+ self.shape_sizer.Add(pos_sizer, (n-1, 0), (1,3), flag=wx.LEFT|wx.ALIGN_CENTER)
+
+
+ # Add a button to create the new shape on the canvas
+ n += 1
+ if new==True:
+ create = wx.Button(self, 1,"Create")
+ self.shape_sizer.Add(create, (n-1,1), (1,2), flag=wx.ALIGN_RIGHT|wx.ALL, border = 15)
+ self.Bind(wx.EVT_BUTTON, self._onCreate, id = 1)
+ else:
+ create = wx.Button(self, 1,"Apply")
+ self.shape_sizer.Add(create, (n-1,1), (1,2), flag=wx.ALIGN_RIGHT|wx.ALL, border = 15)
+ self.Bind(wx.EVT_BUTTON, self._onEdited, id = 1)
+
+
+
+ self.shape_sizer.Layout()
+ self.shape_sizer.Fit(self)
+ try:
+ self.parent.GetSizer().Layout()
+ except:
+ print "TODO: move the Layout call of editShape up to the caller"
+
+ def _readCtrlFloat(self, ctrl):
+ """
+ Parses a TextCtrl for a float value.
+ Returns None is the value hasn't changed or the value is not a float.
+ The control background turns pink if the value is not a float.
+
+ @param ctrl: TextCtrl object
+ """
+ if ctrl.IsModified():
+ ctrl.SetModified(False)
+ str_value = ctrl.GetValue().lstrip().rstrip()
+ try:
+ flt_value = float(str_value)
+ ctrl.SetBackgroundColour(
+ wx.SystemSettings_GetColour(wx.SYS_COLOUR_WINDOW))
+ ctrl.Refresh()
+ return flt_value
+ except:
+ ctrl.SetBackgroundColour("pink")
+ ctrl.Refresh()
+ return None
+
+ def _readCtrlInt(self, ctrl):
+ """
+ Parses a TextCtrl for a float value.
+ Returns None is the value hasn't changed or the value is not a float.
+ The control background turns pink if the value is not a float.
+
+ @param ctrl: TextCtrl object
+ """
+ if ctrl.IsModified():
+ ctrl.SetModified(False)
+ str_value = ctrl.GetValue().lstrip().rstrip()
+ try:
+ int_value = int(str_value)
+ ctrl.SetBackgroundColour(
+ wx.SystemSettings_GetColour(wx.SYS_COLOUR_WINDOW))
+ ctrl.Refresh()
+ return int_value
+ except:
+ ctrl.SetBackgroundColour("pink")
+ ctrl.Refresh()
+ return None
+
+ def _parseCtrl(self):
+ try:
+ # Position
+ tmp = self._readCtrlFloat(self.xctrl)
+ if not tmp==None:
+ self.current_shape.x = tmp
+
+ tmp = self._readCtrlFloat(self.yctrl)
+ if not tmp==None:
+ self.current_shape.y = tmp
+
+ tmp = self._readCtrlFloat(self.zctrl)
+ if not tmp==None:
+ self.current_shape.z = tmp
+
+ # Orientation
+ tmp = self._readCtrlFloat(self.actrl)
+ if not tmp==None:
+ self.current_shape.theta_x = tmp
+
+ tmp = self._readCtrlFloat(self.bctrl)
+ if not tmp==None:
+ self.current_shape.theta_y = tmp
+
+ tmp = self._readCtrlFloat(self.cctrl)
+ if not tmp==None:
+ self.current_shape.theta_z = tmp
+
+ # Parameters
+ for item in self.parameters:
+ tmp = self._readCtrlFloat(item[1])
+ if not tmp==None:
+ self.current_shape.params[item[0]] = tmp
+ except:
+ print "Could not create"
+ print sys.exc_value
+
+ def _onCreate(self, evt):
+ """
+ Create a new shape with the parameters given by the user
+ """
+ self._parseCtrl()
+ event = CreateShapeEvent(shape=self.current_shape, new=True)
+ wx.PostEvent(self.parent, event)
+ self.editShape(self.current_shape, False)
+
+
+ def _onEdited(self, evt):
+ self._parseCtrl()
+ event = CreateShapeEvent(shape=self.current_shape, new=False)
+ wx.PostEvent(self.parent, event)
+ self.editShape(self.current_shape, False)
+
+ def onTextEnter(self, evt):
+ """
+ Read text field to check values
+ """
+ self._readCtrlFloat(self.xctrl)
+ self._readCtrlFloat(self.yctrl)
+ self._readCtrlFloat(self.zctrl)
+ self._readCtrlFloat(self.actrl)
+ self._readCtrlFloat(self.bctrl)
+ self._readCtrlFloat(self.cctrl)
+ for item in self.parameters:
+ self._readCtrlFloat(item[1])
+
+ #-- Methods to support list of shapes --
+ def _on_add_shape_to_listbox(self, event):
+ """
+ Process a new shape
+ @param event: EVT_ADD_SHAPE event
+ """
+ event.Skip()
+ if event.new:
+ self.counter += 1
+ self.shape_listbox.Insert("%d: %s" % (self.counter, event.shape.name),
+ self.shape_listbox.GetCount(), event.shape)
+
+ def _on_select_from_listbox(self, event):
+ """
+ Process item selection events
+ """
+ index = event.GetSelection()
+ view_name = self.shape_listbox.GetString(index)
+ self.editShape(shape=event.GetClientData(), new=False)
+ # The following event is bound to the SimPanel to highlight the shape in blue
+ #TODO: how come it doesn't work?
+ wx.PostEvent(self.parent, EditShapeEvent(shape=event.GetClientData()))
+ #TODO: select the shape from the drop down
+
+ def _on_listbox_context_menu(self, event):
+ """
+ Popup context menu event
+ """
+ # Create context menu
+ popupmenu = wx.Menu()
+
+ # Create an item to delete the selected shape from the canvas
+ id = wx.NewId()
+ popupmenu.Append(id, "&Remove Selected")
+ wx.EVT_MENU(self, id, self._on_remove_shape_from_listbox)
+
+ # Create an item to rename a shape to a more user friendly name
+ #id = wx.NewId()
+ #popupmenu.Append(102, "&Rename Selected")
+ #wx.EVT_MENU(self, 102, self.onRename)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(popupmenu, pos)
+
+ def _on_remove_shape_from_listbox(self, ev):
+ """
+ Remove an item
+ """
+ indices = self.shape_listbox.GetSelections()
+ if len(indices)>0:
+ name = self.shape_listbox.GetClientData(indices[0]).name
+ self.shape_listbox.Delete(indices[0])
+ wx.PostEvent(self.parent, DelShapeEvent(id = name))
+
+ def _on_rename_shape_from_listbox(self, ev):
+ """
+ Rename an item
+ """
+ indices = self.shape_listbox.GetSelections()
+ if len(indices)>0:
+ print "NOT YET IMPLMENTED"
+ print "renaming", self.shape_listbox.GetString(indices[0])
+
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/simulation/SimCanvas.py b/src/sas/sasgui/perspectives/simulation/SimCanvas.py
new file mode 100644
index 0000000..12e4e71
--- /dev/null
+++ b/src/sas/sasgui/perspectives/simulation/SimCanvas.py
@@ -0,0 +1,660 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2009, University of Tennessee
+"""
+import wx
+import math
+
+try:
+ import OpenGL
+except:
+ import sys, os
+ sys.path.insert(1,os.path.dirname(sys.executable))
+
+import OpenGL.GL
+try:
+ from wx import glcanvas
+ haveGLCanvas = True
+except ImportError:
+ haveGLCanvas = False
+try:
+ # The Python OpenGL package can be found at
+ # http://PyOpenGL.sourceforge.net/
+ from OpenGL.GL import *
+ from OpenGL.GLU import *
+ from OpenGL.GLUT import *
+ haveOpenGL = True
+except ImportError:
+ haveOpenGL = False
+
+# Color set
+DEFAULT_COLOR = [1.0, 1.0, 0.0, .2]
+COLOR_RED = [1.0, 0.0, 0.0, .2]
+COLOR_GREEN = [0.0, 1.0, 0.0, .2]
+COLOR_BLUE = [0.0, 0.0, 1.0, .2]
+COLOR_YELLOW = [1.0, 1.0, 0.0, .2]
+COLOR_HIGHLIGHT = [.2, .2, .8, .5]
+
+# List of shapes
+SHAPE_LIST = []
+
+import ShapeParameters
+
+class SimPanel(wx.Panel):
+ """
+ 3D viewer to support real-space simulation.
+ """
+ window_name = "3dview"
+ window_caption = "3D viewer"
+
+ def __init__(self, parent, id = -1, plots = None, standalone=False, **kwargs):
+ wx.Panel.__init__(self, parent, id = id, **kwargs)
+ self.parent = parent
+
+ #Add a sizer
+ mainSizer = wx.BoxSizer(wx.VERTICAL)
+ sliderSizer = wx.BoxSizer(wx.HORIZONTAL)
+
+ self.canvas = CanvasBase(self)
+ self.canvas.SetMinSize((200,2100))
+
+ #Add the model to it's sizer
+ mainSizer.Add(self.canvas, 1, wx.EXPAND)
+
+ #Add the Subsizers to mainsizer
+ mainSizer.Add(sliderSizer, 0, wx.EXPAND)
+
+ self.SetSizer(mainSizer)
+ self.Bind(wx.EVT_CONTEXT_MENU, self._on_context_menu)
+
+
+ def _on_context_menu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ # Slicer plot popup menu
+ id = wx.NewId()
+ slicerpop = wx.Menu()
+ slicerpop.Append(id, '&Reset 3D View')
+ wx.EVT_MENU(self, id, self.canvas.resetView)
+
+ pos = event.GetPosition()
+ pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+
+class CanvasBase(glcanvas.GLCanvas):
+ """
+ 3D canvas to display OpenGL 3D shapes
+ """
+ window_name = "Simulation"
+ window_caption = "Simulation"
+
+ def __init__(self, parent):
+ glcanvas.GLCanvas.__init__(self, parent, -1)
+ self.init = False
+ # initial mouse position
+ self.lastx = self.x = 30
+ self.lasty = self.y = 30
+ self.tr_lastx = self.tr_x = 30
+ self.tr_lasty = self.tr_y = 30
+ self.size = None
+ self.Bind(wx.EVT_ERASE_BACKGROUND, self.OnEraseBackground)
+ self.Bind(wx.EVT_SIZE, self.OnSize)
+ self.Bind(wx.EVT_PAINT, self.OnPaint)
+ self.Bind(wx.EVT_LEFT_DOWN, self.OnMouseDown)
+ self.Bind(wx.EVT_RIGHT_DOWN, self.OnMouseDown)
+ self.Bind(wx.EVT_LEFT_UP, self.OnMouseUp)
+ self.Bind(wx.EVT_RIGHT_UP, self.OnRightUp)
+ self.Bind(wx.EVT_MOTION, self.OnMouseMotion)
+ self.Bind(wx.EVT_MOUSEWHEEL, self._onMouseWheel)
+
+ self.initialized = False
+ self.shapes = []
+ self.parent = parent
+
+ # Reference vectors
+ self.x_vec = [1,0,0]
+ self.y_vec = [0,1,0]
+
+ self.mouse_down = False
+ self.scale = 1.0
+ self.zoom = 1.0
+ self.translation = [0,0,0]
+
+ # Bind to Edit events
+ self.parent.Bind(ShapeParameters.EVT_EDIT_SHAPE, self._onEditShape)
+
+ def resetView(self, evt=None):
+ """
+ Resets zooming, translation and rotation.
+ """
+ self.zoom = 1.0
+ self.scale = 1.0
+ self.x_vec = [1,0,0]
+ self.y_vec = [0,1,0]
+ glLoadIdentity()
+ self.Refresh()
+
+ def _onEditShape(self, evt):
+ evt.Skip()
+ evt.shape.highlight(True)
+ for item in self.shapes:
+ if not item == evt.shape:
+ item.highlight(False)
+ self.Refresh(False)
+
+ def OnEraseBackground(self, event):
+ pass # Do nothing, to avoid flashing on MSW.
+
+ def OnSize(self, event):
+ size = self.size = self.GetClientSize()
+ if self.GetContext():
+ glViewport(0, 0, size.width, size.height)
+ event.Skip()
+
+ def OnPaint(self, event):
+ size = self.GetClientSize()
+ side = size.width
+ if size.height<size.width:
+ side = size.height
+
+ if self.GetContext():
+ glViewport(0, 0, side, side)
+ self.SetMinSize((side,side))
+
+ dc = wx.PaintDC(self)
+ self.SetCurrent()
+ if not self.init:
+ self.InitGL()
+ self.init = True
+ self.OnDraw()
+ event.Skip()
+
+ def _onMouseWheel(self, evt):
+ # Initialize mouse position so we don't have unwanted rotation
+ self.x, self.y = self.lastx, self.lasty = evt.GetPosition()
+ self.tr_x, self.tr_y = self.tr_lastx, self.tr_lasty = evt.GetPosition()
+
+ scale = 1.15
+ if evt.GetWheelRotation()<0:
+ scale = 1.0/scale
+
+ self.zoom *= scale
+
+ glScale(scale, scale, scale)
+ self.Refresh(False)
+
+ def OnMouseDown(self, evt):
+ self.SetFocus()
+ self.CaptureMouse()
+ self.x, self.y = self.lastx, self.lasty = evt.GetPosition()
+ self.tr_x, self.tr_y = self.tr_lastx, self.tr_lasty = self.x, self.y
+ self.mouse_down = True
+
+ def OnMouseUp(self, evt):
+ self.ReleaseMouse()
+ self.mouse_down = False
+
+ def OnRightUp(self, evt):
+ self.OnMouseUp(evt)
+ if self.x==self.tr_lastx and self.y==self.tr_lasty:
+ self._on_context_menu(evt)
+
+ def _on_context_menu(self, event):
+ """
+ Default context menu for a plot panel
+ """
+ id = wx.NewId()
+ slicerpop = wx.Menu()
+ slicerpop.Append(id, '&Reset 3D View')
+ wx.EVT_MENU(self, id, self.resetView)
+
+ pos = event.GetPosition()
+ #pos = self.ScreenToClient(pos)
+ self.PopupMenu(slicerpop, pos)
+
+ def OnMouseMotion(self, evt):
+ if evt.Dragging() and evt.LeftIsDown():
+ self.tr_lastx, self.tr_lasty = self.tr_x, self.tr_y
+ x, y = evt.GetPosition()
+
+ # Min distance to do anything
+ if math.fabs(self.lastx-x)>10 or math.fabs(self.lasty-y)>10:
+
+ self.lastx, self.lasty = self.x, self.y
+
+
+ if math.fabs(self.lastx-x)>math.fabs(self.lasty-y):
+ self.x = x
+ else:
+ self.y = y
+
+ #self.x, self.y = evt.GetPosition()
+ self.Refresh(False)
+
+ elif evt.Dragging() and evt.RightIsDown():
+ self.lastx, self.lasty = self.x, self.y
+ self.tr_lastx, self.tr_lasty = self.tr_x, self.tr_y
+ self.tr_x, self.tr_y = evt.GetPosition()
+ self.Refresh(False)
+
+ def InitGL( self ):
+ glutInitDisplayMode (GLUT_DOUBLE | GLUT_RGBA)
+ #glShadeModel(GL_FLAT);
+
+ glMatrixMode(GL_PROJECTION)
+
+ glLight(GL_LIGHT0, GL_AMBIENT, [.2, .2, .2, 0])
+
+ # Object color
+ #glLight(GL_LIGHT0, GL_DIFFUSE, COLOR_BLUE)
+
+ glLight(GL_LIGHT0, GL_POSITION, [1.0, 1.0, -1.0, 0.0])
+
+
+ glLightModelfv(GL_LIGHT_MODEL_AMBIENT, [1, 1, 1, 0])
+ glEnable(GL_LIGHTING)
+ glEnable(GL_LIGHT0)
+ glEnable(GL_BLEND)
+ glBlendFunc (GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA);
+
+ glEnable ( GL_ALPHA_TEST ) ;
+ glAlphaFunc ( GL_GREATER, 0 ) ;
+ glPixelStorei(GL_PACK_ALIGNMENT, 1)
+ glPixelStorei(GL_UNPACK_ALIGNMENT, 1)
+
+ glEnable(GL_NORMALIZE)
+ glDepthFunc(GL_LESS)
+ glEnable(GL_DEPTH_TEST)
+ glDepthMask(GL_TRUE);
+ glClearColor (1.0, 1.0, 1.0, 0.0);
+ #glClear (GL_COLOR_BUFFER_BIT);
+ glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT)
+
+
+ gluPerspective(0, 1.0, 0.1, 60.0);
+
+ glMatrixMode(GL_MODELVIEW)
+
+ def getMaxSize(self):
+ max_size = 0.0
+ # Ready to draw shapes
+ for item in self.shapes:
+ item.draw()
+ l = item.get_length()
+ if l>max_size:
+ max_size = l
+ return max_size
+
+ def OnDraw(self):
+ # clear color and depth buffers
+ glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT)
+ # use a fresh transformation matrix
+
+ # get the max object size to re-scale
+ max_size = 1.0
+ # Ready to draw shapes
+ for item in self.shapes:
+ item.draw()
+ l = item.get_length()
+ if l>max_size:
+ max_size = l
+
+ max_size *= 1.05
+ scale = self.scale/max_size
+ glScale(scale, scale, scale)
+ self.scale = max_size
+
+ self.drawAxes()
+
+ if self.mouse_down:
+ if math.fabs((self.x - self.lastx))>math.fabs((self.y - self.lasty)):
+ angle = 10.0*(self.x - self.lastx) / math.fabs(self.x - self.lastx)
+ glRotate(angle, self.y_vec[0], self.y_vec[1], self.y_vec[2]);
+ self._rot_y(angle)
+ elif math.fabs(self.y - self.lasty)>0:
+ angle = 10.0*(self.y - self.lasty) / math.fabs(self.y - self.lasty)
+ glRotate(angle, self.x_vec[0], self.x_vec[1], self.x_vec[2]);
+ self._rot_x(angle)
+
+ self.lasty = self.y
+ self.lastx = self.x
+
+ w,h = self.GetVirtualSizeTuple()
+
+ # Translate in the x-y plane
+ vx = self.x_vec[0] * 2.0*float(self.tr_x - self.tr_lastx)/w \
+ + self.y_vec[0] * 2.0*float(self.tr_lasty - self.tr_y)/h
+ vy = self.x_vec[1] * 2.0*float(self.tr_x - self.tr_lastx)/w \
+ + self.y_vec[1] * 2.0*float(self.tr_lasty - self.tr_y)/h
+ vz = self.x_vec[2] * 2.0*float(self.tr_x - self.tr_lastx)/w \
+ + self.y_vec[2] * 2.0*float(self.tr_lasty - self.tr_y)/h
+
+ glTranslate(self.scale*vx/self.zoom, self.scale*vy/self.zoom, self.scale*vz/self.zoom)
+
+ # push into visible buffer
+ self.SwapBuffers()
+
+ def _matrix_mult(self, v, axis, angle):
+ c = math.cos(angle)
+ s = math.sin(angle)
+ x = axis[0]
+ y = axis[1]
+ z = axis[2]
+ vx = v[0]*(x*x*(1-c)+c) + v[1]*(x*y*(1-c)-z*s) + v[2]*(x*z*(1-c)+y*s)
+ vy = v[0]*(y*x*(1-c)+z*s) + v[1]*(y*y*(1-c)+c) + v[2]*(y*z*(1-c)-x*s)
+ vz = v[0]*(x*z*(1-c)-y*s) + v[1]*(y*z*(1-c)+x*s) + v[2]*(z*z*(1-c)+c)
+ return [vx, vy, vz]
+
+ def _rot_y(self, theta):
+ """
+ Rotate the view by theta around the y-axis
+ """
+ angle = theta/180.0*math.pi
+ axis = self.y_vec
+ self.x_vec = self._matrix_mult(self.x_vec, self.y_vec, -angle)
+
+ def _rot_x(self, theta):
+ """
+ Rotate the view by theta around the x-axis
+ """
+ angle = theta/180.0*math.pi
+ self.y_vec = self._matrix_mult(self.y_vec, self.x_vec, -angle)
+
+
+ def addShape(self, shape, name=None):
+ """
+ Add a shape to the list of displayed shapes
+ @param shape: BaseShape object
+ @param name: name given to the shape
+ """
+ if not name==None:
+ shape.name = name
+ shape.params['order']=len(self.shapes)
+ self.shapes.append(shape)
+ self.Refresh(False)
+
+ def delShape(self, name):
+ """
+ Delete a shape by name
+ @param name: name of the shape to be deleted
+ """
+ for i in range(len(self.shapes)):
+ if self.shapes[i].name == name:
+ del self.shapes[i]
+ break
+ self.Refresh(False)
+
+ def getMaxVolume(self):
+ """
+ Returns the maximum volume of the combination of all shapes.
+ The maximum volume is the simple sum of the volumes of all the shapes.
+ @return: sum of the volumes of all the shapes [float]
+ """
+ sum = 0
+ for item in self.shapes:
+ sum += item.get_volume()
+ return sum
+
+ def drawAxes(self):
+ """
+ Draw 3D axes
+ """
+ pos = self.scale * 0.7
+
+ # Z-axis is red
+ zaxis= Arrow(x=pos, y=-pos, z=0, r_cyl=self.scale*0.005, r_cone=self.scale*0.01,
+ l_cyl=self.scale*0.1, l_cone=self.scale*0.05)
+ zaxis.color = COLOR_RED
+ zaxis.draw()
+
+ # Y-axis is yellow
+ yaxis= Arrow(x=pos, y=-pos, z=0, r_cyl=self.scale*0.005, r_cone=self.scale*0.01,
+ l_cyl=self.scale*0.1, l_cone=self.scale*0.05)
+ yaxis.color = COLOR_YELLOW
+ yaxis.rotate(-90,0,0)
+ yaxis.draw()
+
+ # X-axis is green
+ xaxis= Arrow(x=pos, y=-pos, z=0, r_cyl=self.scale*0.005, r_cone=self.scale*0.01,
+ l_cyl=self.scale*0.1, l_cone=self.scale*0.05)
+ xaxis.color = COLOR_GREEN
+ xaxis.rotate(0,-90,0)
+ xaxis.draw()
+
+ glLight(GL_LIGHT0, GL_DIFFUSE, DEFAULT_COLOR)
+
+
+class BaseShape:
+ """
+ Basic shape functionality
+ """
+ def __init__(self, x=0, y=0, z=0):
+ self.name = ''
+ ## Position
+ self.x = x
+ self.y = y
+ self.z = z
+ ## Orientation
+ self.theta_x = 0
+ self.theta_y = 0
+ self.theta_z = 0
+
+ # Params
+ self.params = {}
+ self.params['contrast'] = 1.0
+ self.params['order'] = 0
+ self.details = {}
+ self.details['contrast'] = 'A-2'
+ self.details['order'] = ' '
+
+ self.highlighted = False
+ self.color = DEFAULT_COLOR
+
+ def get_volume(self):
+ return 0
+
+ def get_length(self):
+ return 1.0
+
+ def highlight(self, value=False):
+ self.highlighted = value
+
+ def rotate(self, alpha, beta, gamma):
+ """
+ Set the rotation angles of the shape
+ @param alpha: angle around the x-axis [degrees]
+ @param beta: angle around the y-axis [degrees]
+ @param gamma: angle around the z-axis [degrees]
+ """
+ self.theta_x = alpha
+ self.theta_y = beta
+ self.theta_z = gamma
+
+ def _rotate(self):
+ """
+ Perform the OpenGL rotation
+
+ Note that the rotation order is reversed.
+ We do Y, X, Z do be compatible with simulation...
+ """
+
+ glRotated(self.theta_z, 0, 0, 1)
+ glRotated(self.theta_x, 1, 0, 0)
+ glRotated(self.theta_y, 0, 1, 0)
+
+ def _pre_draw(self):
+ if self.highlighted:
+ glLight(GL_LIGHT0, GL_DIFFUSE, COLOR_HIGHLIGHT)
+ else:
+ glLight(GL_LIGHT0, GL_DIFFUSE, self.color)
+
+
+class Arrow(BaseShape):
+ """
+ Arrow shape used to show the three axes
+ """
+ def __init__(self, x=0, y=0, z=0, r_cyl=0.01, r_cone=0.02, l_cyl=0.3, l_cone=0.1):
+ BaseShape.__init__(self, x, y, z)
+ self.r_cyl = r_cyl
+ self.r_cone = r_cone
+ self.l_cyl = l_cyl
+ self.l_cone = l_cone
+
+ def draw(self):
+ self._pre_draw()
+ glPushMatrix()
+ glTranslate(self.x, self.y, self.z)
+
+ # Perform rotation
+ glRotate(self.theta_x, 1, 0, 0)
+ glRotate(self.theta_y, 0, 1, 0)
+ glRotate(self.theta_z, 0, 0, 1)
+
+ # Draw axis cylinder
+ qobj = gluNewQuadric();
+ gluCylinder(qobj, self.r_cyl, self.r_cyl, self.l_cyl, 15, 5);
+
+ glTranslate(0, 0, self.z+self.l_cyl)
+
+ # Draw cone of the arrow
+ glutSolidCone(self.r_cone, self.l_cone, 30, 5)
+
+ # Translate back to original position
+ glTranslate(-self.x, -self.y, -self.z)
+ glPopMatrix()
+
+class Cone(BaseShape):
+ """
+ Conical shape
+ """
+ def __init__(self, x=0, y=0, z=0, radius=0.5, height=1):
+ BaseShape.__init__(self, x, y, z)
+ self.radius = radius
+ self.height = height
+
+ def draw(self):
+ glPushMatrix()
+ glTranslate(self.x, self.y, self.z)
+ glutSolidCone(self.radius, self.height, 30, 5)
+ self._rotate()
+ glTranslate(-self.x, -self.y, -self.z)
+ glPopMatrix()
+
+class Sphere(BaseShape):
+ """
+ Spherical shape
+ """
+ def __init__(self, x=0, y=0, z=0, radius=10.0):
+ BaseShape.__init__(self, x, y, z)
+ self.name = 'sphere'
+ self.params['radius'] = radius
+ self.details['radius'] = 'A'
+
+ def get_volume(self):
+ return 4.0/3.0*math.pi*self.params['radius']*self.params['radius']*self.params['radius']
+
+ def get_length(self):
+ return 2.0*self.params['radius']
+
+ def draw(self):
+ self._pre_draw()
+ glPushMatrix()
+ glTranslate(self.x, self.y, self.z)
+ #glutSolidSphere(self.params['radius'], 30, 30)
+ qobj = gluNewQuadric();
+ #gluQuadricDrawStyle(qobj,GLU_SILHOUETTE)
+ gluSphere(qobj,self.params['radius'], 30, 30)
+ glTranslate(-self.x, -self.y, -self.z)
+ glPopMatrix()
+ glLight(GL_LIGHT0, GL_DIFFUSE, DEFAULT_COLOR)
+
+ def accept(self, visitor):
+ return visitor.fromSphere(self)
+
+ def accept_update(self, visitor):
+ return visitor.update_sphere(self)
+
+class Cylinder(BaseShape):
+ """
+ Cylinder shape, by default the cylinder is oriented along
+ the z-axis.
+
+ The reference point of the cylinder is the center of the
+ bottom circle.
+ """
+ def __init__(self, x=0, y=0, z=0, radius=10.0, length=100.0):
+ BaseShape.__init__(self, x, y, z)
+ self.name = 'cylinder'
+ self.params['radius'] = radius
+ self.params['length'] = length
+ self.details['radius'] = 'A'
+ self.details['length'] = 'A'
+
+ def get_volume(self):
+ return math.pi*self.params['radius']*self.params['radius']*self.params['length']
+
+ def get_length(self):
+ if self.params['length']>2.0*self.params['radius']:
+ return self.params['length']
+ else:
+ return 2.0*self.params['radius']
+
+ def draw(self):
+ self._pre_draw()
+ glPushMatrix()
+
+ glTranslate(self.x, self.y, self.z)
+ self._rotate()
+ qobj = gluNewQuadric();
+ # gluCylinder(qobj, r_base, r_top, L, div around z, div along z)
+ gluCylinder(qobj, self.params['radius'], self.params['radius'], self.params['length'], 15, 5);
+
+ glTranslate(-self.x, -self.y, -self.z)
+ glPopMatrix()
+ glLight(GL_LIGHT0, GL_DIFFUSE, DEFAULT_COLOR)
+
+ def accept(self, visitor):
+ return visitor.fromCylinder(self)
+
+ def accept_update(self, visitor):
+ return visitor.update_cylinder(self)
+
+# Fill the shape list
+SHAPE_LIST.append(dict(name='Sphere', id=wx.NewId(), cl=Sphere))
+SHAPE_LIST.append(dict(name='Cylinder', id=wx.NewId(), cl=Cylinder))
+
+def getShapes():
+ """
+ Returns a list of all available shapes
+ """
+ return SHAPE_LIST
+
+def getShapeClass(id):
+ """
+ Returns a child class of BaseShape corresponding
+ to the supplied shape ID.
+ @param id: shape ID number
+ """
+ def f(s): return s['id']==id
+ if SHAPE_LIST is not None:
+ shape = filter(f, SHAPE_LIST)
+ return shape[0]['cl']
+ return None
+
+def getShapeClassByName(name):
+ """
+ Returns a child class of BaseShape corresponding
+ to the supplied shape name.
+ @param name: shape name
+ """
+ def f(s): return s['name']==name
+ if SHAPE_LIST is not None:
+ shape = filter(f, SHAPE_LIST)
+ return shape[0]['cl']
+ return None
diff --git a/src/sas/sasgui/perspectives/simulation/__init__.py b/src/sas/sasgui/perspectives/simulation/__init__.py
new file mode 100644
index 0000000..74f2d7b
--- /dev/null
+++ b/src/sas/sasgui/perspectives/simulation/__init__.py
@@ -0,0 +1,2 @@
+PLUGIN_ID = "Simulation plug-in 1.0"
+from simulation import *
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/simulation/requirements.txt b/src/sas/sasgui/perspectives/simulation/requirements.txt
new file mode 100644
index 0000000..dd4b26a
--- /dev/null
+++ b/src/sas/sasgui/perspectives/simulation/requirements.txt
@@ -0,0 +1,18 @@
+UI requirements
+- Allow user to modify q range from main panel [DONE]
+- Move list of shapes from top menu to central simulation panel
+- Popup P(r) plot and update for each simulation [DONE]
+- Allow user to choose whether he wants the simulation to be run automatically with each parameter change
+ or whether he wants to hit 'simulate' himself when he's done.
+- A shape should be highlighted when clicked
+
+
+Refactor:
+- simulation._refresh_3D_viewer should not access canvas directly
+- simulation._simulate_Iq: the getMaxVolume should be a call to the VolumeCanvas object.
+ # Since the VolumeCanvas doesn't currently have that functionality, and
+ # since the simulation panel holds the list of graphical representations
+ # for the shapes, we will take the information from there until VolumeCanvas
+ # is updated.
+- In simulation.py: avoid interfacing directly with the canvas member of the plotPanel.
+- using time.time in CalcThread might not work on OS X
\ No newline at end of file
diff --git a/src/sas/sasgui/perspectives/simulation/simulation.py b/src/sas/sasgui/perspectives/simulation/simulation.py
new file mode 100644
index 0000000..781a40c
--- /dev/null
+++ b/src/sas/sasgui/perspectives/simulation/simulation.py
@@ -0,0 +1,332 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2009, University of Tennessee
+"""
+import wx
+import os
+import numpy
+import time
+import logging
+
+# Application imports
+import SimCanvas
+import ShapeParameters
+import ShapeAdapter
+from sas.sasgui.guiframe.dataFitting import Data1D
+# Real-space simulation import
+import sas.sascalc.realspace.VolumeCanvas as VolumeCanvas
+
+from sas.sascalc.data_util.calcthread import CalcThread
+from sas.guicomm.events import NewPlotEvent, StatusEvent
+
+class Calc1D(CalcThread):
+ """
+ Thread object to simulate I(q)
+ """
+
+ def __init__(self, x, model,
+ completefn = None,
+ updatefn = None,
+ yieldtime = 0.01,
+ worktime = 0.01
+ ):
+ CalcThread.__init__(self,completefn,
+ updatefn,
+ yieldtime,
+ worktime)
+ self.x = x
+ self.model = model
+ self.starttime = 0
+
+ def compute(self):
+ x = self.x
+ output = numpy.zeros(len(x))
+ error = numpy.zeros(len(x))
+
+ self.starttime = time.time()
+
+ for i_x in range(len(self.x)):
+ # Check whether we need to bail out
+ self.isquit()
+ self.update(output=output, error=error)
+
+ value, err = self.model.getIqError(float(self.x[i_x]))
+ output[i_x] = value
+ error[i_x] = err
+
+ elapsed = time.time()-self.starttime
+ self.complete(output=output, error=error, elapsed=elapsed)
+
+## Default minimum q-value for simulation output
+DEFAULT_Q_MIN = 0.01
+## Default maximum q-value for simulation output
+DEFAULT_Q_MAX = 0.4
+## Default number of q point for simulation output
+DEFAULT_Q_NPTS = 10
+## Default number of real-space points per Angstrom cube
+DEFAULT_PT_DENSITY = 0.1
+
+class Plugin:
+ """
+ Real-space simulation plug-in for guiframe
+ """
+ ## Minimum q-value for simulation output
+ q_min = DEFAULT_Q_MIN
+ ## Maximum q-value for simulation output
+ q_max = DEFAULT_Q_MAX
+ ## Number of q point for simulation output
+ q_npts = DEFAULT_Q_NPTS
+
+ def __init__(self):
+ ## Plug-in name
+ self.sub_menu = "Simulation"
+ ## Reference to the parent window
+ self.parent = None
+ ## List of panels for the simulation perspective (names)
+ self.perspective = []
+ # Default save location
+ self._default_save_location = os.getcwd()
+ # Log startup
+ logging.info("Simulation plug-in started")
+
+ def get_panels(self, parent):
+ """
+ Create and return a list of panel objects
+ """
+ self.parent = parent
+
+ # 3D viewer
+ self.plotPanel = SimCanvas.SimPanel(self.parent, -1, style=wx.RAISED_BORDER)
+
+ # Central simulation panel
+ self.paramPanel = ShapeParameters.ShapeParameterPanel(self.parent,
+ q_min = self.q_min,
+ q_max = self.q_max,
+ q_npts = self.q_npts,
+ pt_density = DEFAULT_PT_DENSITY,
+ style=wx.RAISED_BORDER)
+
+ # Simulation
+ self.volCanvas = VolumeCanvas.VolumeCanvas()
+ self.volCanvas.setParam('lores_density', DEFAULT_PT_DENSITY)
+ self.adapter = ShapeAdapter.ShapeVisitor()
+ self._data_1D = None
+ self.calc_thread_1D = None
+ self.speedCheck = False
+ self.speed = 3.0e-7
+
+ # Q-values for plotting simulated I(Q)
+ step = (self.q_max-self.q_min)/(self.q_npts-1)
+ self.x = numpy.arange(self.q_min, self.q_max+step*0.01, step)
+
+ # Set the list of panels that are part of the simulation perspective
+ self.perspective = []
+ self.perspective.append(self.plotPanel.window_name)
+ self.perspective.append(self.paramPanel.window_name)
+
+ # Bind state events
+ self.parent.Bind(ShapeParameters.EVT_ADD_SHAPE, self._onAddShape)
+ self.parent.Bind(ShapeParameters.EVT_DEL_SHAPE, self._onDelShape)
+ self.parent.Bind(ShapeParameters.EVT_Q_RANGE, self._on_q_range_changed)
+ self.parent.Bind(ShapeParameters.EVT_PT_DENSITY, self._on_pt_density_changed)
+
+ return [self.plotPanel, self.paramPanel]
+
+ def _onAddShape(self, evt):
+ """
+ Process a user event to add a newly created
+ or modified shape to the canvas
+ """
+ evt.Skip()
+
+ # Give the new shape to the canvas
+ if evt.new:
+ shape = evt.shape.accept(self.adapter)
+ id = self.volCanvas.addObject(shape)
+ self.plotPanel.canvas.addShape(evt.shape, id)
+ else:
+ self.adapter.update(self.volCanvas, evt.shape)
+
+ # Compute the simulated I(Q)
+ self._simulate_Iq()
+
+ # Refresh the 3D viewer
+ self._refresh_3D_viewer()
+
+ def _onDelShape(self, evt):
+ """
+ Remove a shape from the simulation
+ """
+ # Notify the simulation canvas
+ self.volCanvas.delete(evt.id)
+ # Notify the UI canvas
+ self.plotPanel.canvas.delShape(evt.id)
+
+ # Compute the simulated I(Q)
+ self._simulate_Iq()
+
+ # Refresh the 3D viewer
+ self._refresh_3D_viewer()
+
+ def _on_q_range_changed(self, evt):
+ """
+ Modify the Q range of the simulation output
+ """
+ if evt.q_min is not None:
+ self.q_min = evt.q_min
+ if evt.q_max is not None:
+ self.q_max = evt.q_max
+ if evt.npts is not None:
+ self.q_npts = evt.npts
+
+ # Q-values for plotting simulated I(Q)
+ step = (self.q_max-self.q_min)/(self.q_npts-1)
+ self.x = numpy.arange(self.q_min, self.q_max+step*0.01, step)
+
+ # Compute the simulated I(Q)
+ self._simulate_Iq()
+
+ def _on_pt_density_changed(self, evt):
+ """
+ Modify the Q range of the simulation output
+ """
+ if evt.npts is not None:
+ self.volCanvas.setParam('lores_density', evt.npts)
+
+ # Compute the simulated I(Q)
+ self._simulate_Iq()
+
+ def _simulate_Iq(self):
+ """
+ Simulate I(q) using the current VolumeCanvas object.
+ """
+ # Check that the VolumeCanvas object exists
+ if not isinstance(self.volCanvas, VolumeCanvas.VolumeCanvas):
+ return
+
+ # If a computation thread is running, stop it
+ if self.calc_thread_1D != None and self.calc_thread_1D.isrunning():
+ self.calc_thread_1D.stop()
+ ## stop just raises the flag -- the thread is supposed to
+ ## then kill itself. In August 2014 it was shown that this is
+ ## incorrectly handled by fitting.py and a fix implemented.
+ ## It is not clear that it is improperly used here so no fix
+ ## is being added here.
+ ##
+ ## -PDB January 25, 2015
+
+ # Create a computation thread
+ self.calc_thread_1D = Calc1D(self.x, self.volCanvas,
+ completefn=self._simulation_completed_1D,
+ updatefn=None)
+ self.calc_thread_1D.queue()
+ self.calc_thread_1D.ready(2.5)
+
+ # Evaluate maximum number of points on the canvas and the
+ # maximum computation time
+
+ # TODO: the getMaxVolume should be a call to the VolumeCanvas object.
+ # Since the VolumeCanvas doesn't currently have that functionality, and
+ # since the simulation panel holds the list of graphical representations
+ # for the shapes, we will take the information from there until VolumeCanvas
+ # is updated.
+ npts = self.plotPanel.canvas.getMaxVolume() * self.volCanvas.params['lores_density']
+
+ est = self.speed * npts * npts
+ self.parent.SetStatusText("Calculation started: this might take a moment... [up to %d secs, %g points]" % (int(est), int(npts)))
+
+
+ def _simulation_completed_1D(self, output, elapsed, error=None):
+ """
+ Called by the computation thread when the simulation is complete.
+ This method processes the simulation output, plots it, and updates
+ the simulation time estimate.
+
+ @param output: simulated distribution I(q)
+ @param elapsed: simulation time, in seconds
+ @param error: standard deviation on the I(q) points
+ """
+ # Create the plotting event to pop up the I(Q) plot.
+ new_plot = Data1D(x=self.x, y=output, dy=error)
+ new_plot.name = "I(Q) Simulation"
+ new_plot.group_id = "simulation_output"
+ new_plot.xaxis("\\rm{Q}", 'A^{-1}')
+ new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Simulation I(Q)"))
+
+ # Create the plotting event to pop up the P(r) plot.
+ r, pr = self.volCanvas.getPrData()
+ new_plot = Data1D(x=r, y=pr, dy=[0]*len(r))
+ new_plot.name = "P(r) Simulation"
+ new_plot.group_id = "simulated_pr"
+ new_plot.xaxis("\\rm{r}", 'A')
+ new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
+
+ wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Simulated P(r)"))
+
+
+ # Notify the user of the simlation time and update the basic
+ # simulation estimate that will allow us to estimate simulation time
+ # next time we are asked to simulate.
+ msg = "Calculation completed in %g secs! [%g points]" % (elapsed, self.volCanvas.npts)
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ if self.volCanvas.npts>0:
+ self.speed = elapsed/self.volCanvas.npts**2
+
+
+ def get_perspective(self):
+ """
+ Get the list of panel names for this perspective
+ """
+ return self.perspective
+
+ def populate_menu(self, id, owner):
+ """
+ Create a menu for the plug-in
+ """
+ return []
+
+ def _change_point_density(self, point_density):
+ """
+ Placeholder for changing the simulation point density
+ TODO: refactor this away by writing a single update method for the simulation parameters
+ """
+ self.volCanvas.setParam('lores_density', point_density)
+
+ def help(self, evt):
+ """
+ Provide help for the simulation
+ """
+ pass
+
+ def on_perspective(self, event):
+ """
+ Call back function for the perspective menu item.
+ We notify the parent window that the perspective
+ has changed.
+ """
+ self.parent.set_perspective(self.perspective)
+
+ def post_init(self):
+ """
+ Post initialization call back to close the loose ends
+ [Somehow openGL needs this call]
+ """
+ self.parent.set_perspective(self.perspective)
+ self.parent._mgr.Update()
+
+ def _refresh_3D_viewer(self):
+ """
+ Refresh the 3D viewer window
+ #TODO: don't access data member directly
+ """
+ self.plotPanel.canvas.Refresh(False)
+ # Give focus back to 3D canvas so that the
+ # zooming works
+ #self.plotPanel.canvas.SetFocus()
+ #self.plotPanel.SetFocus()
diff --git a/src/sas/sasgui/plottools/BaseInteractor.py b/src/sas/sasgui/plottools/BaseInteractor.py
new file mode 100644
index 0000000..6c139ec
--- /dev/null
+++ b/src/sas/sasgui/plottools/BaseInteractor.py
@@ -0,0 +1,179 @@
+interface_color = 'black'
+disable_color = 'gray'
+active_color = 'red'
+rho_color = 'black'
+mu_color = 'green'
+P_color = 'blue'
+theta_color = 'orange'
+profile_colors = [rho_color, mu_color, P_color, theta_color]
+
+
+class _BaseInteractor(object):
+ """
+ Share some functions between the interface interactor and various layer
+ interactors.
+
+ Individual interactors need the following functions:
+
+ save(ev) - save the current state for later restore
+ restore() - restore the old state
+ move(x,y,ev) - move the interactor to position x,y
+ moveend(ev) - end the drag event
+ update() - draw the interactors
+
+ The following are provided by the base class:
+
+ connect_markers(markers) - register callbacks for all markers
+ clear_markers() - remove all items in self.markers
+ onHilite(ev) - enter/leave event processing
+ onLeave(ev) - enter/leave event processing
+ onClick(ev) - mouse click: calls save()
+ onRelease(ev) - mouse click ends: calls moveend()
+ onDrag(ev) - mouse move: calls move() or restore()
+ onKey(ev) - keyboard move: calls move() or restore()
+
+ Interactor attributes:
+
+ base - model we are operating on
+ axes - axes holding the interactor
+ color - color of the interactor in non-active state
+ markers - list of handles for the interactor
+
+ """
+ def __init__(self, base, axes, color='black'):
+ """
+ """
+ self.base = base
+ self.axes = axes
+ self.color = color
+ self.markers = []
+
+ def clear_markers(self):
+ '''
+ Clear old markers and interfaces.
+ '''
+ for h in self.markers:
+ h.remove()
+ if self.markers:
+ self.base.connect.clear(*self.markers)
+ self.markers = []
+
+ def save(self, ev):
+ """
+ """
+ pass
+
+ def restore(self, ev):
+ """
+ """
+ pass
+
+ def move(self, x, y, ev):
+ """
+ """
+ pass
+
+ def moveend(self, ev):
+ """
+ """
+ pass
+
+ def connect_markers(self, markers):
+ """
+ Connect markers to callbacks
+ """
+ for h in markers:
+ connect = self.base.connect
+ connect('enter', h, self.onHilite)
+ connect('leave', h, self.onLeave)
+ connect('click', h, self.onClick)
+ connect('release', h, self.onRelease)
+ connect('drag', h, self.onDrag)
+ connect('key', h, self.onKey)
+
+ def onHilite(self, ev):
+ """
+ Hilite the artist reporting the event, indicating that it is
+ ready to receive a click.
+ """
+ ev.artist.set_color(active_color)
+ self.base.draw()
+ return True
+
+ def onLeave(self, ev):
+ """
+ Restore the artist to the original colour when the cursor leaves.
+ """
+ ev.artist.set_color(self.color)
+ self.base.draw()
+ return True
+
+ def onClick(self, ev):
+ """
+ Prepare to move the artist. Calls save() to preserve the state for
+ later restore().
+ """
+ self.clickx, self.clicky = ev.xdata, ev.ydata
+ self.save(ev)
+ return True
+
+ def onRelease(self, ev):
+ """
+ """
+ self.moveend(ev)
+ return True
+
+ def onDrag(self, ev):
+ """
+ Move the artist. Calls move() to update the state, or restore() if
+ the mouse leaves the window.
+ """
+ inside, _ = self.axes.contains(ev)
+ if inside:
+ self.clickx, self.clicky = ev.xdata, ev.ydata
+ self.move(ev.xdata, ev.ydata, ev)
+ else:
+ self.restore()
+ self.base.update()
+ return True
+
+ def onKey(self, ev):
+ """
+ Respond to keyboard events. Arrow keys move the widget. Escape
+ restores it to the position before the last click.
+
+ Calls move() to update the state. Calls restore() on escape.
+ """
+ if ev.key == 'escape':
+ self.restore()
+ elif ev.key in ['up', 'down', 'right', 'left']:
+ dx, dy = self.dpixel(self.clickx, self.clicky, nudge=ev.control)
+ if ev.key == 'up':
+ self.clicky += dy
+ elif ev.key == 'down':
+ self.clicky -= dy
+ elif ev.key == 'right':
+ self.clickx += dx
+ else:
+ self.clickx -= dx
+ self.move(self.clickx, self.clicky, ev)
+ else:
+ return False
+ self.base.update()
+ return True
+
+ def dpixel(self, x, y, nudge=False):
+ """
+ Return the step size in data coordinates for a small
+ step in screen coordinates. If nudge is False (default)
+ the step size is one pixel. If nudge is True, the step
+ size is 0.2 pixels.
+ """
+ ax = self.axes
+ px, py = ax.transData.inverse_xy_tup((x, y))
+ if nudge:
+ nx, ny = ax.transData.xy_tup((px + 0.2, py + 0.2))
+ else:
+ nx, ny = ax.transData.xy_tup((px + 1., py + 1.))
+ dx, dy = nx - x, ny - y
+ return dx, dy
diff --git a/src/sas/sasgui/plottools/LabelDialog.py b/src/sas/sasgui/plottools/LabelDialog.py
new file mode 100644
index 0000000..cb4b30a
--- /dev/null
+++ b/src/sas/sasgui/plottools/LabelDialog.py
@@ -0,0 +1,43 @@
+import wx
+import sys
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+ PNL_WIDTH = 270
+else:
+ FONT_VARIANT = 1
+ PNL_WIDTH = 300
+
+class LabelDialog(wx.Dialog):
+ def __init__(self, parent, id, title, label):
+ wx.Dialog.__init__(self, parent, id, title, size=(PNL_WIDTH, 150))
+
+ # Font
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ mainbox = wx.BoxSizer(wx.VERTICAL)
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ textbox = wx.BoxSizer(wx.HORIZONTAL)
+
+ text1 = "Enter a new title/label:"
+ msg = wx.StaticText(self, -1, text1, (30, 15), style=wx.ALIGN_LEFT)
+ msg.SetLabel(text1)
+ self.label_ctrl = wx.TextCtrl(self, -1, '', (200, 30))
+ self.label_ctrl.SetValue(str(label))
+ textbox.Add(self.label_ctrl, flag=wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE,
+ border=10, proportion=2)
+ vbox.Add(msg, flag=wx.ALL, border=10, proportion=1)
+ vbox.Add(textbox, flag=wx.EXPAND | wx.TOP | wx.BOTTOM | wx.ADJUST_MINSIZE, border=5)
+ hbox = wx.BoxSizer(wx.HORIZONTAL)
+ ok_button = wx.Button(self, wx.ID_OK, 'OK', size=(70, 25))
+ close_button = wx.Button(self, wx.ID_CANCEL, 'Cancel', size=(70, 25))
+
+ hbox.Add(ok_button, wx.LEFT, 10)
+ hbox.Add((20, 20))
+ hbox.Add(close_button, wx.LEFT, 10)
+
+ mainbox.Add(vbox, flag=wx.LEFT, border=5)
+ mainbox.Add(wx.StaticLine(self), 0, wx.ALL | wx.EXPAND, 5)
+ mainbox.Add(hbox, flag=wx.CENTER, border=20)
+ self.SetSizer(mainbox)
+
+ def getText(self):
+ return self.label_ctrl.GetValue()
diff --git a/src/sas/sasgui/plottools/LineModel.py b/src/sas/sasgui/plottools/LineModel.py
new file mode 100644
index 0000000..4a6f0ed
--- /dev/null
+++ b/src/sas/sasgui/plottools/LineModel.py
@@ -0,0 +1,107 @@
+#!/usr/bin/env python
+"""
+Provide Line function (y= Ax + B). Until July 10, 2016 this function provided
+(y= A + Bx). This however was contrary to all the other code using it which
+assumed (y= mx+b) or in this nomenclature (y=Ax + B). This lead to some
+contortions in the code and worse incorrect calculations until now for at least
+some of the functions. This seemed the easiest to fix particularly since this
+function should disappear in a future iteration (see notes in fitDialog)
+
+ -PDB July 10, 2016
+"""
+
+import math
+
+class LineModel(object):
+ """
+ Class that evaluates a linear model.
+
+ f(x) = Ax + B
+
+ List of default parameters:
+ A = 1.0
+ B = 1.0
+ """
+
+ def __init__(self):
+ """ Initialization """
+ # # Name of the model
+ self.name = "LineModel"
+
+ # # Define parameters
+ self.params = {}
+ self.params['A'] = 1.0
+ self.params['B'] = 1.0
+
+ # # Parameter details [units, min, max]
+ self.details = {}
+ self.details['A'] = ['', None, None]
+ self.details['B'] = ['', None, None]
+
+ def getParam(self, name):
+ """
+ Return parameter value
+ """
+ return self.params[name.upper()]
+
+ def setParam(self, name, value):
+ """
+ Set parameter value
+ """
+ self.params[name.upper()] = value
+
+ def _line(self, x):
+ """
+ Evaluate the function
+
+ :param x: x-value
+
+ :return: function value
+
+ """
+ return (self.params['A'] * x) + self.params['B']
+
+ def run(self, x=0.0):
+ """
+ Evaluate the model
+
+ :note: This is the function called by fitDialog to calculate the
+ the y(xmin) and y(xmax), but the only difference between this and
+ runXY is when the if statement is true. I however cannot see what that
+ function is for. It needs to be documented here or removed.
+ -PDB 7/10/16
+
+ :param x: simple value
+
+ :return: (Line value)
+ """
+ if x.__class__.__name__ == 'list':
+ return self._line(x[0] * math.cos(x[1])) * \
+ self._line(x[0] * math.sin(x[1]))
+ elif x.__class__.__name__ == 'tuple':
+ msg = "Tuples are not allowed as input to BaseComponent models"
+ raise ValueError, msg
+ else:
+ return self._line(x)
+
+ def runXY(self, x=0.0):
+ """
+ Evaluate the model.
+
+ :note: This is to be what is called by fitDialog for the actual fit
+ but the only difference between this and run is when the if
+ statement is true. I however cannot see what that function
+ is for. It needs to be documented here or removed. -PDB 7/10/16
+
+ :param x: simple value
+
+ :return: Line value
+
+ """
+ if x.__class__.__name__ == 'list':
+ return self._line(x[0]) * self._line(x[1])
+ elif x.__class__.__name__ == 'tuple':
+ msg = "Tuples are not allowed as input to BaseComponent models"
+ raise ValueError, msg
+ else:
+ return self._line(x)
diff --git a/src/sas/sasgui/plottools/PlotPanel.py b/src/sas/sasgui/plottools/PlotPanel.py
new file mode 100644
index 0000000..45d0d4d
--- /dev/null
+++ b/src/sas/sasgui/plottools/PlotPanel.py
@@ -0,0 +1,2041 @@
+"""
+ Plot panel.
+"""
+import logging
+import traceback
+import wx
+# Try a normal import first
+# If it fails, try specifying a version
+import matplotlib
+matplotlib.interactive(False)
+#Use the WxAgg back end. The Wx one takes too long to render
+matplotlib.use('WXAgg')
+from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg
+from matplotlib.figure import Figure
+import os
+import transform
+#TODO: make the plottables interactive
+from binder import BindArtist
+from matplotlib.font_manager import FontProperties
+DEBUG = False
+
+from plottables import Graph
+from TextDialog import TextDialog
+from LabelDialog import LabelDialog
+import operator
+
+import math
+import pylab
+DEFAULT_CMAP = pylab.cm.jet
+import copy
+import numpy
+
+from sas.sasgui.guiframe.events import StatusEvent
+from .toolbar import NavigationToolBar, PlotPrintout, bind
+
+def show_tree(obj, d=0):
+ """Handy function for displaying a tree of graph objects"""
+ print "%s%s" % ("-"*d, obj.__class__.__name__)
+ if 'get_children' in dir(obj):
+ for a in obj.get_children(): show_tree(a, d + 1)
+
+from convert_units import convert_unit
+
+
+def _rescale(lo, hi, step, pt=None, bal=None, scale='linear'):
+ """
+ Rescale (lo,hi) by step, returning the new (lo,hi)
+ The scaling is centered on pt, with positive values of step
+ driving lo/hi away from pt and negative values pulling them in.
+ If bal is given instead of point, it is already in [0,1] coordinates.
+
+ This is a helper function for step-based zooming.
+
+ """
+ # Convert values into the correct scale for a linear transformation
+ # TODO: use proper scale transformers
+ loprev = lo
+ hiprev = hi
+ if scale == 'log':
+ assert lo > 0
+ if lo > 0:
+ lo = math.log10(lo)
+ if hi > 0:
+ hi = math.log10(hi)
+ if pt is not None:
+ pt = math.log10(pt)
+
+ # Compute delta from axis range * %, or 1-% if persent is negative
+ if step > 0:
+ delta = float(hi - lo) * step / 100
+ else:
+ delta = float(hi - lo) * step / (100 - step)
+
+ # Add scale factor proportionally to the lo and hi values,
+ # preserving the
+ # point under the mouse
+ if bal is None:
+ bal = float(pt - lo) / (hi - lo)
+ lo = lo - (bal * delta)
+ hi = hi + (1 - bal) * delta
+
+ # Convert transformed values back to the original scale
+ if scale == 'log':
+ if (lo <= -250) or (hi >= 250):
+ lo = loprev
+ hi = hiprev
+ else:
+ lo, hi = math.pow(10., lo), math.pow(10., hi)
+ return (lo, hi)
+
+
+class PlotPanel(wx.Panel):
+ """
+ The PlotPanel has a Figure and a Canvas. OnSize events simply set a
+ flag, and the actually redrawing of the
+ figure is triggered by an Idle event.
+ """
+ def __init__(self, parent, id=-1, xtransform=None,
+ ytransform=None, scale='log_{10}',
+ color=None, dpi=None, **kwargs):
+ """
+ """
+ wx.Panel.__init__(self, parent, id=id, **kwargs)
+ self.parent = parent
+ if hasattr(parent, "parent"):
+ self.parent = self.parent.parent
+ self.dimension = 1
+ self.gotLegend = 0 # to begin, legend is not picked.
+ self.legend_pos_loc = None
+ self.legend = None
+ self.line_collections_list = []
+ self.figure = Figure(None, dpi, linewidth=2.0)
+ self.color = '#b3b3b3'
+ from canvas import FigureCanvas
+ self.canvas = FigureCanvas(self, -1, self.figure)
+ self.SetColor(color)
+ self._resizeflag = True
+ self._SetSize()
+ self.subplot = self.figure.add_subplot(111)
+ self.figure.subplots_adjust(left=0.2, bottom=.2)
+ self.yscale = 'linear'
+ self.xscale = 'linear'
+ self.sizer = wx.BoxSizer(wx.VERTICAL)
+ self.sizer.Add(self.canvas, 1, wx.EXPAND)
+ #add toolbar
+ self.enable_toolbar = True
+ self.toolbar = None
+ self.add_toolbar()
+ self.SetSizer(self.sizer)
+
+ # Graph object to manage the plottables
+ self.graph = Graph()
+
+ #Boolean value to keep track of whether current legend is
+ #visible or not
+ self.legend_on = True
+ self.grid_on = False
+ #Location of legend, default is 0 or 'best'
+ self.legendLoc = 0
+ self.position = None
+ self._loc_labels = self.get_loc_label()
+
+ self.Bind(wx.EVT_CONTEXT_MENU, self.onContextMenu)
+
+ # Define some constants
+ self.colorlist = ['b', 'g', 'r', 'c', 'm', 'y', 'k']
+ self.symbollist = ['o', 'x', '^', 'v', '<', '>', '+',
+ 's', 'd', 'D', 'h', 'H', 'p', '-']
+
+ #List of texts currently on the plot
+ self.textList = []
+ self.selectedText = None
+ #User scale
+ if xtransform != None:
+ self.xLabel = xtransform
+ else:
+ self.xLabel = "log10(x)"
+ if ytransform != None:
+ self.yLabel = ytransform
+ else:
+ self.yLabel = "log10(y)"
+ self.viewModel = "--"
+ # keep track if the previous transformation of x
+ # and y in Property dialog
+ self.prevXtrans = "log10(x)"
+ self.prevYtrans = "log10(y)"
+ self.scroll_id = self.canvas.mpl_connect('scroll_event', self.onWheel)
+ #taking care of dragging
+ self.motion_id = self.canvas.mpl_connect('motion_notify_event',
+ self.onMouseMotion)
+ self.press_id = self.canvas.mpl_connect('button_press_event',
+ self.onLeftDown)
+ self.pick_id = self.canvas.mpl_connect('pick_event', self.onPick)
+ self.release_id = self.canvas.mpl_connect('button_release_event',
+ self.onLeftUp)
+
+ wx.EVT_RIGHT_DOWN(self, self.onLeftDown)
+ # to turn axis off whenn resizing the panel
+ self.resizing = False
+
+ self.leftdown = False
+ self.leftup = False
+ self.mousemotion = False
+ self.axes = [self.subplot]
+ ## Fit dialog
+ self._fit_dialog = None
+ # Interactor
+ self.connect = BindArtist(self.subplot.figure)
+ #self.selected_plottable = None
+
+ # new data for the fit
+ from sas.sasgui.guiframe.dataFitting import Data1D
+ self.fit_result = Data1D(x=[], y=[], dy=None)
+ self.fit_result.symbol = 13
+ #self.fit_result = Data1D(x=[], y=[],dx=None, dy=None)
+ self.fit_result.name = "Fit"
+ # For fit Dialog initial display
+ self.xmin = 0.0
+ self.xmax = 0.0
+ self.xminView = 0.0
+ self.xmaxView = 0.0
+ self._scale_xlo = None
+ self._scale_xhi = None
+ self._scale_ylo = None
+ self._scale_yhi = None
+ self.Avalue = None
+ self.Bvalue = None
+ self.ErrAvalue = None
+ self.ErrBvalue = None
+ self.Chivalue = None
+
+ # for 2D scale
+ if scale != 'linear':
+ scale = 'log_{10}'
+ self.scale = scale
+ self.data = None
+ self.qx_data = None
+ self.qy_data = None
+ self.xmin_2D = None
+ self.xmax_2D = None
+ self.ymin_2D = None
+ self.ymax_2D = None
+ ## store reference to the current plotted vmin and vmax of plotted image
+ ##z range in linear scale
+ self.zmin_2D = None
+ self.zmax_2D = None
+
+ #index array
+ self.index_x = None
+ self.index_y = None
+
+ #number of bins
+ self.x_bins = None
+ self.y_bins = None
+
+ ## default color map
+ self.cmap = DEFAULT_CMAP
+
+ # Dragging info
+ self.begDrag = False
+ self.xInit = None
+ self.yInit = None
+ self.xFinal = None
+ self.yFinal = None
+
+ #axes properties
+ self.xaxis_font = None
+ self.xaxis_label = None
+ self.xaxis_unit = None
+ self.xaxis_color = 'black'
+ self.xaxis_tick = None
+ self.yaxis_font = None
+ self.yaxis_label = None
+ self.yaxis_unit = None
+ self.yaxis_color = 'black'
+ self.yaxis_tick = None
+
+ # check if zoomed.
+ self.is_zoomed = False
+ # Plottables
+ self.plots = {}
+
+ # Default locations
+ self._default_save_location = os.getcwd()
+ # let canvas know about axes
+ self.canvas.set_panel(self)
+ self.ly = None
+ self.q_ctrl = None
+ #Bind focus to change the border color
+ self.canvas.Bind(wx.EVT_SET_FOCUS, self.on_set_focus)
+ self.canvas.Bind(wx.EVT_KILL_FOCUS, self.on_kill_focus)
+
+ def _SetInitialSize(self,):
+ """
+ """
+ pixels = self.parent.GetClientSize()
+ self.canvas.SetSize(pixels)
+ self.figure.set_size_inches(pixels[0] / self.figure.get_dpi(),
+ pixels[1] / self.figure.get_dpi(), forward=True)
+
+ def On_Paint(self, event):
+ """
+ """
+ self.canvas.SetBackgroundColour(self.color)
+
+ def on_set_focus(self, event):
+ """
+ Send to the parenet the current panel on focus
+ """
+ # light blue
+ self.color = '#0099f7'
+ self.figure.set_edgecolor(self.color)
+ if self.parent and self.window_caption:
+ self.parent.send_focus_to_datapanel(self.window_caption)
+ self.draw()
+
+ def on_kill_focus(self, event):
+ """
+ Reset the panel color
+ """
+ # light grey
+ self.color = '#b3b3b3'
+ self.figure.set_edgecolor(self.color)
+ self.draw()
+
+ def set_resizing(self, resizing=False):
+ """
+ Set the resizing (True/False)
+ """
+ pass # Not implemented
+
+ def schedule_full_draw(self, func='append'):
+ """
+ Put self in schedule to full redraw list
+ """
+ pass # Not implemented
+
+ def add_toolbar(self):
+ """
+ add toolbar
+ """
+ self.enable_toolbar = True
+ self.toolbar = NavigationToolBar(parent=self, canvas=self.canvas)
+ bind(self.toolbar, wx.EVT_TOOL, self.onResetGraph, id=self.toolbar._NTB2_RESET)
+ bind(self.toolbar, wx.EVT_TOOL, self.onContextMenu, id=self.toolbar._NTB2_HOME)
+ self.toolbar.Realize()
+ ## The 'SetToolBar()' is not working on MAC: JHC
+ #if IS_MAC:
+ # Mac platform (OSX 10.3, MacPython) does not seem to cope with
+ # having a toolbar in a sizer. This work-around gets the buttons
+ # back, but at the expense of having the toolbar at the top
+ #self.SetToolBar(self.toolbar)
+ #else:
+ # On Windows platform, default window size is incorrect, so set
+ # toolbar width to figure width.
+ tw, th = self.toolbar.GetSizeTuple()
+ fw, fh = self.canvas.GetSizeTuple()
+ # By adding toolbar in sizer, we are able to put it at the bottom
+ # of the frame - so appearance is closer to GTK version.
+ # As noted above, doesn't work for Mac.
+ self.toolbar.SetSize(wx.Size(fw, th))
+ self.sizer.Add(self.toolbar, 0, wx.LEFT | wx.EXPAND)
+
+ # update the axes menu on the toolbar
+ self.toolbar.update()
+
+ def onLeftDown(self, event):
+ """
+ left button down and ready to drag
+ """
+ # Check that the LEFT button was pressed
+ if event.button == 1:
+ self.leftdown = True
+ ax = event.inaxes
+ for text in self.textList:
+ if text.contains(event)[0]: # If user has clicked on text
+ self.selectedText = text
+ return
+
+ if ax != None:
+ self.xInit, self.yInit = event.xdata, event.ydata
+ try:
+ pos_x = float(event.xdata) # / size_x
+ pos_y = float(event.ydata) # / size_y
+ pos_x = "%8.3g" % pos_x
+ pos_y = "%8.3g" % pos_y
+ self.position = str(pos_x), str(pos_y)
+ wx.PostEvent(self.parent, StatusEvent(status=self.position))
+ except:
+ self.position = None
+
+ def onLeftUp(self, event):
+ """
+ Dragging is done
+ """
+ # Check that the LEFT button was released
+ if event.button == 1:
+ self.leftdown = False
+ self.mousemotion = False
+ self.leftup = True
+ self.selectedText = None
+
+ #release the legend
+ if self.gotLegend == 1:
+ self.gotLegend = 0
+ self.set_legend_alpha(1)
+
+ def set_legend_alpha(self, alpha=1):
+ """
+ Set legend alpha
+ """
+ if self.legend != None:
+ self.legend.legendPatch.set_alpha(alpha)
+
+ def onPick(self, event):
+ """
+ On pick legend
+ """
+ legend = self.legend
+ if event.artist == legend:
+ #gets the box of the legend.
+ bbox = self.legend.get_window_extent()
+ #get mouse coordinates at time of pick.
+ self.mouse_x = event.mouseevent.x
+ self.mouse_y = event.mouseevent.y
+ #get legend coordinates at time of pick.
+ self.legend_x = bbox.xmin
+ self.legend_y = bbox.ymin
+ #indicates we picked up the legend.
+ self.gotLegend = 1
+ self.set_legend_alpha(0.5)
+
+ def _on_legend_motion(self, event):
+ """
+ On legend in motion
+ """
+ ax = event.inaxes
+ if ax == None:
+ return
+ # Event occurred inside a plotting area
+ lo_x, hi_x = ax.get_xlim()
+ lo_y, hi_y = ax.get_ylim()
+ # How much the mouse moved.
+ x = mouse_diff_x = self.mouse_x - event.x
+ y = mouse_diff_y = self.mouse_y - event.y
+ # Put back inside
+ if x < lo_x:
+ x = lo_x
+ if x > hi_x:
+ x = hi_x
+ if y < lo_y:
+ y = lo_y
+ if y > hi_y:
+ y = hi_y
+ # Move the legend from its previous location by that same amount
+ loc_in_canvas = self.legend_x - mouse_diff_x, \
+ self.legend_y - mouse_diff_y
+ # Transform into legend coordinate system
+ trans_axes = self.legend.parent.transAxes.inverted()
+ loc_in_norm_axes = trans_axes.transform_point(loc_in_canvas)
+ self.legend_pos_loc = tuple(loc_in_norm_axes)
+ self.legend._loc = self.legend_pos_loc
+ self.resizing = True
+ self.canvas.set_resizing(self.resizing)
+ self.canvas.draw()
+
+ def onMouseMotion(self, event):
+ """
+ check if the left button is press and the mouse in moving.
+ computer delta for x and y coordinates and then calls draghelper
+ to perform the drag
+ """
+ self.cusor_line(event)
+ if self.gotLegend == 1 and self.leftdown:
+ self._on_legend_motion(event)
+ return
+
+ if self.leftdown and self.selectedText is not None:
+ # User has clicked on text and is dragging
+ ax = event.inaxes
+ if ax != None:
+ # Only move text if mouse is within axes
+ self.selectedText.set_position((event.xdata, event.ydata))
+ self._dragHelper(0, 0)
+ else:
+ # User has dragged outside of axes
+ self.selectedText = None
+ return
+
+ if self.enable_toolbar:
+ #Disable dragging without the toolbar to allow zooming with toolbar
+ return
+ self.mousemotion = True
+ if self.leftdown == True and self.mousemotion == True:
+ ax = event.inaxes
+ if ax != None: # the dragging is perform inside the figure
+ self.xFinal, self.yFinal = event.xdata, event.ydata
+ # Check whether this is the first point
+ if self.xInit == None:
+ self.xInit = self.xFinal
+ self.yInit = self.yFinal
+
+ xdelta = self.xFinal - self.xInit
+ ydelta = self.yFinal - self.yInit
+
+ if self.xscale == 'log':
+ xdelta = math.log10(self.xFinal) - math.log10(self.xInit)
+ if self.yscale == 'log':
+ ydelta = math.log10(self.yFinal) - math.log10(self.yInit)
+ self._dragHelper(xdelta, ydelta)
+ else: # no dragging is perform elsewhere
+ self._dragHelper(0, 0)
+
+ def cusor_line(self, event):
+ """
+ """
+ pass
+
+ def _offset_graph(self):
+ """
+ Zoom and offset the graph to the last known settings
+ """
+ for ax in self.axes:
+ if self._scale_xhi is not None and self._scale_xlo is not None:
+ ax.set_xlim(self._scale_xlo, self._scale_xhi)
+ if self._scale_yhi is not None and self._scale_ylo is not None:
+ ax.set_ylim(self._scale_ylo, self._scale_yhi)
+
+ def _dragHelper(self, xdelta, ydelta):
+ """
+ dragging occurs here
+ """
+ # Event occurred inside a plotting area
+ for ax in self.axes:
+ lo, hi = ax.get_xlim()
+ newlo, newhi = lo - xdelta, hi - xdelta
+ if self.xscale == 'log':
+ if lo > 0:
+ newlo = math.log10(lo) - xdelta
+ if hi > 0:
+ newhi = math.log10(hi) - xdelta
+ if self.xscale == 'log':
+ self._scale_xlo = math.pow(10, newlo)
+ self._scale_xhi = math.pow(10, newhi)
+ ax.set_xlim(math.pow(10, newlo), math.pow(10, newhi))
+ else:
+ self._scale_xlo = newlo
+ self._scale_xhi = newhi
+ ax.set_xlim(newlo, newhi)
+
+ lo, hi = ax.get_ylim()
+ newlo, newhi = lo - ydelta, hi - ydelta
+ if self.yscale == 'log':
+ if lo > 0:
+ newlo = math.log10(lo) - ydelta
+ if hi > 0:
+ newhi = math.log10(hi) - ydelta
+ if self.yscale == 'log':
+ self._scale_ylo = math.pow(10, newlo)
+ self._scale_yhi = math.pow(10, newhi)
+ ax.set_ylim(math.pow(10, newlo), math.pow(10, newhi))
+ else:
+ self._scale_ylo = newlo
+ self._scale_yhi = newhi
+ ax.set_ylim(newlo, newhi)
+ self.canvas.draw_idle()
+
+ def resetFitView(self):
+ """
+ For fit Dialog initial display
+ """
+ self.xmin = 0.0
+ self.xmax = 0.0
+ self.xminView = 0.0
+ self.xmaxView = 0.0
+ self._scale_xlo = None
+ self._scale_xhi = None
+ self._scale_ylo = None
+ self._scale_yhi = None
+ self.Avalue = None
+ self.Bvalue = None
+ self.ErrAvalue = None
+ self.ErrBvalue = None
+ self.Chivalue = None
+
+ def onWheel(self, event):
+ """
+ Process mouse wheel as zoom events
+
+ :param event: Wheel event
+
+ """
+ ax = event.inaxes
+ step = event.step
+
+ if ax != None:
+ # Event occurred inside a plotting area
+ lo, hi = ax.get_xlim()
+ lo, hi = _rescale(lo, hi, step,
+ pt=event.xdata, scale=ax.get_xscale())
+ if not self.xscale == 'log' or lo > 0:
+ self._scale_xlo = lo
+ self._scale_xhi = hi
+ ax.set_xlim((lo, hi))
+
+ lo, hi = ax.get_ylim()
+ lo, hi = _rescale(lo, hi, step, pt=event.ydata,
+ scale=ax.get_yscale())
+ if not self.yscale == 'log' or lo > 0:
+ self._scale_ylo = lo
+ self._scale_yhi = hi
+ ax.set_ylim((lo, hi))
+ else:
+ # Check if zoom happens in the axes
+ xdata, ydata = None, None
+ x, y = event.x, event.y
+
+ for ax in self.axes:
+ insidex, _ = ax.xaxis.contains(event)
+ if insidex:
+ xdata, _ = ax.transAxes.inverted().transform_point((x, y))
+ insidey, _ = ax.yaxis.contains(event)
+ if insidey:
+ _, ydata = ax.transAxes.inverted().transform_point((x, y))
+ if xdata is not None:
+ lo, hi = ax.get_xlim()
+ lo, hi = _rescale(lo, hi, step,
+ bal=xdata, scale=ax.get_xscale())
+ if not self.xscale == 'log' or lo > 0:
+ self._scale_xlo = lo
+ self._scale_xhi = hi
+ ax.set_xlim((lo, hi))
+ if ydata is not None:
+ lo, hi = ax.get_ylim()
+ lo, hi = _rescale(lo, hi, step, bal=ydata,
+ scale=ax.get_yscale())
+ if not self.yscale == 'log' or lo > 0:
+ self._scale_ylo = lo
+ self._scale_yhi = hi
+ ax.set_ylim((lo, hi))
+ self.canvas.draw_idle()
+
+ def returnTrans(self):
+ """
+ Return values and labels used by Fit Dialog
+ """
+ return self.xLabel, self.yLabel, self.Avalue, self.Bvalue, \
+ self.ErrAvalue, self.ErrBvalue, self.Chivalue
+
+ def setTrans(self, xtrans, ytrans):
+ """
+
+ :param xtrans: set x transformation on Property dialog
+ :param ytrans: set y transformation on Property dialog
+
+ """
+ self.prevXtrans = xtrans
+ self.prevYtrans = ytrans
+
+ def onFitting(self, event):
+ """
+ when clicking on linear Fit on context menu , display Fitting Dialog
+ """
+ plot_dict = {}
+ menu = event.GetEventObject()
+ event_id = event.GetId()
+ self.set_selected_from_menu(menu, event_id)
+ plotlist = self.graph.returnPlottable()
+ if self.graph.selected_plottable is not None:
+ for item in plotlist:
+ if item.id == self.graph.selected_plottable:
+ plot_dict[item] = plotlist[item]
+ else:
+ plot_dict = plotlist
+ from fitDialog import LinearFit
+
+ if len(plot_dict.keys()) > 0:
+ first_item = plot_dict.keys()[0]
+ dlg = LinearFit(parent=None, plottable=first_item,
+ push_data=self.onFitDisplay,
+ transform=self.returnTrans,
+ title='Linear Fit')
+
+ if (self.xmin != 0.0)and (self.xmax != 0.0)\
+ and(self.xminView != 0.0)and (self.xmaxView != 0.0):
+ dlg.setFitRange(self.xminView, self.xmaxView,
+ self.xmin, self.xmax)
+ else:
+ xlim = self.subplot.get_xlim()
+ ylim = self.subplot.get_ylim()
+ dlg.setFitRange(xlim[0], xlim[1], ylim[0], ylim[1])
+ # It would be nice for this to NOT be modal (i.e. Show).
+ # Not sure about other ramifications - for example
+ # if a second linear fit is started before the first is closed.
+ # consider for future - being able to work on the plot while
+ # seing the fit values would be very nice -- PDB 7/10/16
+ dlg.ShowModal()
+
+ def set_selected_from_menu(self, menu, id):
+ """
+ Set selected_plottable from context menu selection
+
+ :param menu: context menu item
+ :param id: menu item id
+ """
+ if len(self.plots) < 1:
+ return
+ name = menu.GetHelpString(id)
+ for plot in self.plots.values():
+ if plot.name == name:
+ self.graph.selected_plottable = plot.id
+ break
+
+ def linear_plottable_fit(self, plot):
+ """
+ when clicking on linear Fit on context menu, display Fitting Dialog
+
+ :param plot: PlotPanel owning the graph
+
+ """
+ from fitDialog import LinearFit
+ if self._fit_dialog is not None:
+ return
+ self._fit_dialog = LinearFit(None, plot, self.onFitDisplay,
+ self.returnTrans, -1, 'Linear Fit')
+ # Set the zoom area
+ if self._scale_xhi is not None and self._scale_xlo is not None:
+ self._fit_dialog.set_fit_region(self._scale_xlo, self._scale_xhi)
+ # Register the close event
+ self._fit_dialog.register_close(self._linear_fit_close)
+ # Show a non-model dialog
+ self._fit_dialog.Show()
+
+ def _linear_fit_close(self):
+ """
+ A fit dialog was closed
+ """
+ self._fit_dialog = None
+
+ def _onProperties(self, event):
+ """
+ when clicking on Properties on context menu ,
+ The Property dialog is displayed
+ The user selects a transformation for x or y value and
+ a new plot is displayed
+ """
+ if self._fit_dialog is not None:
+ self._fit_dialog.Destroy()
+ self._fit_dialog = None
+ plot_list = self.graph.returnPlottable()
+ if len(plot_list.keys()) > 0:
+ first_item = plot_list.keys()[0]
+ if first_item.x != []:
+ from PropertyDialog import Properties
+ dial = Properties(self, -1, 'Properties')
+ dial.setValues(self.prevXtrans, self.prevYtrans, self.viewModel)
+ if dial.ShowModal() == wx.ID_OK:
+ self.xLabel, self.yLabel, self.viewModel = dial.getValues()
+ self._onEVT_FUNC_PROPERTY()
+ dial.Destroy()
+
+ def set_yscale(self, scale='linear'):
+ """
+ Set the scale on Y-axis
+
+ :param scale: the scale of y-axis
+
+ """
+ self.subplot.set_yscale(scale, nonposy='clip')
+ self.yscale = scale
+
+ def get_yscale(self):
+ """
+
+ :return: Y-axis scale
+
+ """
+ return self.yscale
+
+ def set_xscale(self, scale='linear'):
+ """
+ Set the scale on x-axis
+
+ :param scale: the scale of x-axis
+
+ """
+ self.subplot.set_xscale(scale)
+ self.xscale = scale
+
+ def get_xscale(self):
+ """
+
+ :return: x-axis scale
+
+ """
+ return self.xscale
+
+ def SetColor(self, rgbtuple):
+ """
+ Set figure and canvas colours to be the same
+
+ """
+ if not rgbtuple:
+ rgbtuple = wx.SystemSettings.GetColour(wx.SYS_COLOUR_BTNFACE).Get()
+ col = [c / 255.0 for c in rgbtuple]
+ self.figure.set_facecolor(col)
+ self.figure.set_edgecolor(self.color)
+ self.canvas.SetBackgroundColour(wx.Colour(*rgbtuple))
+
+ def _onSize(self, event):
+ """
+ """
+ self._resizeflag = True
+
+ def _onIdle(self, evt):
+ """
+ """
+ if self._resizeflag:
+ self._resizeflag = False
+ self._SetSize()
+ self.draw()
+
+ def _SetSize(self, pixels=None):
+ """
+ This method can be called to force the Plot to be a desired size,
+ which defaults to the ClientSize of the panel
+
+ """
+ if not pixels:
+ pixels = tuple(self.GetClientSize())
+ self.canvas.SetSize(pixels)
+ self.figure.set_size_inches(float(pixels[0]) / self.figure.get_dpi(),
+ float(pixels[1]) / self.figure.get_dpi())
+
+ def draw(self):
+ """
+ Where the actual drawing happens
+
+ """
+ self.figure.canvas.draw_idle()
+
+ def legend_picker(self, legend, event):
+ """
+ Pick up the legend patch
+ """
+ return self.legend.legendPatch.contains(event)
+
+ def get_loc_label(self):
+ """
+ Associates label to a specific legend location
+ """
+ _labels = {}
+ i = 0
+ _labels['best'] = i
+ i += 1
+ _labels['upper right'] = i
+ i += 1
+ _labels['upper left'] = i
+ i += 1
+ _labels['lower left'] = i
+ i += 1
+ _labels['lower right'] = i
+ i += 1
+ _labels['right'] = i
+ i += 1
+ _labels['center left'] = i
+ i += 1
+ _labels['center right'] = i
+ i += 1
+ _labels['lower center'] = i
+ i += 1
+ _labels['upper center'] = i
+ i += 1
+ _labels['center'] = i
+ return _labels
+
+ def onSaveImage(self, evt):
+ """
+ Implement save image
+ """
+ self.toolbar.save_figure(evt)
+
+ def onContextMenu(self, event):
+ """
+ Default context menu for a plot panel
+
+ """
+ # Slicer plot popup menu
+ wx_id = wx.NewId()
+ slicerpop = wx.Menu()
+ slicerpop.Append(wx_id, '&Save image', 'Save image as PNG')
+ wx.EVT_MENU(self, wx_id, self.onSaveImage)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Printer setup', 'Set image size')
+ wx.EVT_MENU(self, wx_id, self.onPrinterSetup)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Print image', 'Print image ')
+ wx.EVT_MENU(self, wx_id, self.onPrint)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Copy', 'Copy to the clipboard')
+ wx.EVT_MENU(self, wx_id, self.OnCopyFigureMenu)
+
+ wx_id = wx.NewId()
+ slicerpop.AppendSeparator()
+ slicerpop.Append(wx_id, '&Properties')
+ wx.EVT_MENU(self, wx_id, self._onProperties)
+
+ wx_id = wx.NewId()
+ slicerpop.AppendSeparator()
+ slicerpop.Append(wx_id, '&Linear Fit')
+ wx.EVT_MENU(self, wx_id, self.onFitting)
+
+ wx_id = wx.NewId()
+ slicerpop.AppendSeparator()
+ slicerpop.Append(wx_id, '&Toggle Legend On/Off', 'Toggle Legend On/Off')
+ wx.EVT_MENU(self, wx_id, self.onLegend)
+
+ loc_menu = wx.Menu()
+ for label in self._loc_labels:
+ wx_id = wx.NewId()
+ loc_menu.Append(wx_id, str(label), str(label))
+ wx.EVT_MENU(self, wx_id, self.onChangeLegendLoc)
+ wx_id = wx.NewId()
+ slicerpop.AppendMenu(wx_id, '&Modify Legend Location', loc_menu)
+
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Modify Y Axis Label')
+ wx.EVT_MENU(self, wx_id, self._on_yaxis_label)
+ wx_id = wx.NewId()
+ slicerpop.Append(wx_id, '&Modify X Axis Label')
+ wx.EVT_MENU(self, wx_id, self._on_xaxis_label)
+
+ try:
+ # mouse event
+ pos_evt = event.GetPosition()
+ pos = self.ScreenToClient(pos_evt)
+ except:
+ # toolbar event
+ pos_x, pos_y = self.toolbar.GetPositionTuple()
+ pos = (pos_x, pos_y + 5)
+
+ self.PopupMenu(slicerpop, pos)
+
+ def onToolContextMenu(self, event):
+ """
+ ContextMenu from toolbar
+
+ :param event: toolbar event
+ """
+ # reset postion
+ self.position = None
+ if self.graph.selected_plottable != None:
+ self.graph.selected_plottable = None
+
+ self.onContextMenu(event)
+
+# modified kieranrcampbell ILL june2012
+ def onLegend(self, legOnOff):
+ """
+ Toggles whether legend is visible/not visible
+ """
+ self.legend_on = legOnOff
+ if not self.legend_on:
+ for ax in self.axes:
+ self.remove_legend(ax)
+ else:
+ # sort them by labels
+ handles, labels = self.subplot.get_legend_handles_labels()
+ hl = sorted(zip(handles, labels),
+ key=operator.itemgetter(1))
+ handles2, labels2 = zip(*hl)
+ self.line_collections_list = handles2
+ self.legend = self.subplot.legend(handles2, labels2,
+ prop=FontProperties(size=10),
+ loc=self.legendLoc)
+ if self.legend != None:
+ self.legend.set_picker(self.legend_picker)
+ self.legend.set_axes(self.subplot)
+ self.legend.set_zorder(20)
+
+ self.subplot.figure.canvas.draw_idle()
+
+ def onChangeLegendLoc(self, event):
+ """
+ Changes legend loc based on user input
+ """
+ menu = event.GetEventObject()
+ label = menu.GetLabel(event.GetId())
+ self.ChangeLegendLoc(label)
+
+ def ChangeLegendLoc(self, label):
+ """
+ Changes legend loc based on user input
+ """
+ self.legendLoc = label
+ self.legend_pos_loc = None
+ # sort them by labels
+ handles, labels = self.subplot.get_legend_handles_labels()
+ hl = sorted(zip(handles, labels),
+ key=operator.itemgetter(1))
+ handles2, labels2 = zip(*hl)
+ self.line_collections_list = handles2
+ self.legend = self.subplot.legend(handles2, labels2,
+ prop=FontProperties(size=10),
+ loc=self.legendLoc)
+ if self.legend != None:
+ self.legend.set_picker(self.legend_picker)
+ self.legend.set_axes(self.subplot)
+ self.legend.set_zorder(20)
+ self.subplot.figure.canvas.draw_idle()
+
+ def remove_legend(self, ax=None):
+ """
+ Remove legend for ax or the current axes.
+ """
+ from pylab import gca
+ if ax is None:
+ ax = gca()
+ ax.legend_ = None
+
+ def _on_addtext(self, event):
+ """
+ Allows you to add text to the plot
+ """
+ pos_x = 0
+ pos_y = 0
+ if self.position != None:
+ pos_x, pos_y = self.position
+ else:
+ pos_x, pos_y = 0.01, 1.00
+
+ textdial = TextDialog(None, -1, 'Add Custom Text')
+ if textdial.ShowModal() == wx.ID_OK:
+ try:
+ FONT = FontProperties()
+ label = textdial.getText()
+ xpos = pos_x
+ ypos = pos_y
+ font = FONT.copy()
+ font.set_size(textdial.getSize())
+ font.set_family(textdial.getFamily())
+ font.set_style(textdial.getStyle())
+ font.set_weight(textdial.getWeight())
+ colour = textdial.getColor()
+ if len(label) > 0 and xpos > 0 and ypos > 0:
+ new_text = self.subplot.text(str(xpos), str(ypos), label,
+ fontproperties=font,
+ color=colour)
+ self.textList.append(new_text)
+ self.subplot.figure.canvas.draw_idle()
+ except:
+ if self.parent != None:
+ msg = "Add Text: Error. Check your property values..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ raise
+ textdial.Destroy()
+ #Have a pop up box come up for user to type in the
+ #text that they want to add...then create text Plottable
+ #based on this and plot it at user designated coordinates
+
+ def onGridOnOff(self, gridon_off):
+ """
+ Allows ON/OFF Grid
+ """
+ self.grid_on = gridon_off
+
+ self.subplot.figure.canvas.draw_idle()
+
+ def _on_xaxis_label(self, event):
+ """
+ Allows you to add text to the plot
+ """
+ xaxis_label, xaxis_unit, xaxis_font, xaxis_color, \
+ is_ok, is_tick = self._on_axis_label(axis='x')
+ if not is_ok:
+ return
+
+ self.xaxis_label = xaxis_label
+ self.xaxis_unit = xaxis_unit
+ self.xaxis_font = xaxis_font
+ self.xaxis_color = xaxis_color
+ if is_tick:
+ self.xaxis_tick = xaxis_font
+
+ if self.data != None:
+ # 2D
+ self.xaxis(self.xaxis_label, self.xaxis_unit, \
+ self.xaxis_font, self.xaxis_color, self.xaxis_tick)
+ self.subplot.figure.canvas.draw_idle()
+ else:
+ # 1D
+ self._check_zoom_plot()
+
+ def _check_zoom_plot(self):
+ """
+ Check the zoom range and plot (1D only)
+ """
+ xlo, xhi = self.subplot.get_xlim()
+ ylo, yhi = self.subplot.get_ylim()
+ ## Set the view scale for all plots
+ self._onEVT_FUNC_PROPERTY(False)
+ if self.is_zoomed:
+ # Recover the x,y limits
+ self.subplot.set_xlim((xlo, xhi))
+ self.subplot.set_ylim((ylo, yhi))
+
+ @property
+ def is_zoomed(self):
+ toolbar_zoomed = self.toolbar.GetToolEnabled(self.toolbar.wx_ids['Back'])
+ return self._is_zoomed or toolbar_zoomed
+
+ @is_zoomed.setter
+ def is_zoomed(self, value):
+ self._is_zoomed = value
+
+ def _on_yaxis_label(self, event):
+ """
+ Allows you to add text to the plot
+ """
+ yaxis_label, yaxis_unit, yaxis_font, yaxis_color, \
+ is_ok, is_tick = self._on_axis_label(axis='y')
+ if not is_ok:
+ return
+
+ self.yaxis_label = yaxis_label
+ self.yaxis_unit = yaxis_unit
+ self.yaxis_font = yaxis_font
+ self.yaxis_color = yaxis_color
+ if is_tick:
+ self.yaxis_tick = yaxis_font
+
+ if self.data != None:
+ # 2D
+ self.yaxis(self.yaxis_label, self.yaxis_unit, \
+ self.yaxis_font, self.yaxis_color, self.yaxis_tick)
+ self.subplot.figure.canvas.draw_idle()
+ else:
+ # 1D
+ self._check_zoom_plot()
+
+ def _on_axis_label(self, axis='x'):
+ """
+ Modify axes labels
+
+ :param axis: x or y axis [string]
+ """
+ is_ok = True
+ title = 'Modify %s axis label' % axis
+ font = 'serif'
+ colour = 'black'
+ if axis == 'x':
+ label = self.xaxis_label
+ unit = self.xaxis_unit
+ else:
+ label = self.yaxis_label
+ unit = self.yaxis_unit
+ textdial = TextDialog(None, -1, title, label, unit)
+ if textdial.ShowModal() == wx.ID_OK:
+ try:
+ FONT = FontProperties()
+ font = FONT.copy()
+ font.set_size(textdial.getSize())
+ font.set_family(textdial.getFamily())
+ font.set_style(textdial.getStyle())
+ font.set_weight(textdial.getWeight())
+ unit = textdial.getUnit()
+ colour = textdial.getColor()
+ is_tick = textdial.getTickLabel()
+ label_temp = textdial.getText()
+ if label_temp.count("\%s" % "\\") > 0:
+ if self.parent != None:
+ msg = "Add Label: Error. Can not use double '\\' "
+ msg += "characters..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ label = label_temp
+ except:
+ if self.parent != None:
+ msg = "Add Label: Error. Check your property values..."
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ pass
+ else:
+ is_ok = False
+ is_tick = True
+ textdial.Destroy()
+ return label, unit, font, colour, is_ok, is_tick
+
+ def _on_removetext(self, event):
+ """
+ Removes all text from the plot.
+ Eventually, add option to remove specific text boxes
+ """
+ num_text = len(self.textList)
+ if num_text < 1:
+ if self.parent != None:
+ msg = "Remove Text: Nothing to remove. "
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ raise
+ return
+ txt = self.textList[num_text - 1]
+ try:
+ text_remove = txt.get_text()
+ txt.remove()
+ if self.parent != None:
+ msg = "Removed Text: '%s'. " % text_remove
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ except:
+ if self.parent != None:
+ msg = "Remove Text: Error occurred. "
+ wx.PostEvent(self.parent, StatusEvent(status=msg))
+ else:
+ raise
+ self.textList.remove(txt)
+
+ self.subplot.figure.canvas.draw_idle()
+
+ def properties(self, prop):
+ """
+ Set some properties of the graph.
+ The set of properties is not yet determined.
+
+ """
+ # The particulars of how they are stored and manipulated (e.g., do
+ # we want an inventory internally) is not settled. I've used a
+ # property dictionary for now.
+ #
+ # How these properties interact with a user defined style file is
+ # even less clear.
+
+ # Properties defined by plot
+
+ # Ricardo:
+ # A empty label "$$" will prevent the panel from displaying!
+ if prop["xlabel"]:
+ self.subplot.set_xlabel(r"$%s$"%prop["xlabel"])
+ if prop["ylabel"]:
+ self.subplot.set_ylabel(r"$%s$"%prop["ylabel"])
+ self.subplot.set_title(prop["title"])
+
+
+ def clear(self):
+ """Reset the plot"""
+ # TODO: Redraw is brutal. Render to a backing store and swap in
+ # TODO: rather than redrawing on the fly.
+ self.subplot.clear()
+ self.subplot.hold(True)
+
+ def render(self):
+ """Commit the plot after all objects are drawn"""
+ # TODO: this is when the backing store should be swapped in.
+ if self.legend_on:
+ ax = self.subplot
+ ax.texts = self.textList
+ try:
+ handles, labels = ax.get_legend_handles_labels()
+ # sort them by labels
+ hl = sorted(zip(handles, labels),
+ key=operator.itemgetter(1))
+ handles2, labels2 = zip(*hl)
+ self.line_collections_list = handles2
+ self.legend = ax.legend(handles2, labels2,
+ prop=FontProperties(size=10),
+ loc=self.legendLoc)
+ if self.legend != None:
+ self.legend.set_picker(self.legend_picker)
+ self.legend.set_axes(self.subplot)
+ self.legend.set_zorder(20)
+
+ except:
+ self.legend = ax.legend(prop=FontProperties(size=10),
+ loc=self.legendLoc)
+
+ def xaxis(self, label, units, font=None, color='black', t_font=None):
+ """xaxis label and units.
+
+ Axis labels know about units.
+
+ We need to do this so that we can detect when axes are not
+ commesurate. Currently this is ignored other than for formatting
+ purposes.
+
+ """
+
+ self.xcolor = color
+ if units.count("{") > 0 and units.count("$") < 2:
+ units = '$' + units + '$'
+ if label.count("{") > 0 and label.count("$") < 2:
+ label = '$' + label + '$'
+ if units != "":
+ label = label + " (" + units + ")"
+ if font:
+ self.subplot.set_xlabel(label, fontproperties=font, color=color)
+ if t_font != None:
+ for tick in self.subplot.xaxis.get_major_ticks():
+ tick.label.set_fontproperties(t_font)
+ for line in self.subplot.xaxis.get_ticklines():
+ size = t_font.get_size()
+ line.set_markersize(size / 3)
+ else:
+ self.subplot.set_xlabel(label, color=color)
+ pass
+
+ def yaxis(self, label, units, font=None, color='black', t_font=None):
+ """yaxis label and units."""
+ self.ycolor = color
+ if units.count("{") > 0 and units.count("$") < 2:
+ units = '$' + units + '$'
+ if label.count("{") > 0 and label.count("$") < 2:
+ label = '$' + label + '$'
+ if units != "":
+ label = label + " (" + units + ")"
+ if font:
+ self.subplot.set_ylabel(label, fontproperties=font, color=color)
+ if t_font != None:
+ for tick_label in self.subplot.get_yticklabels():
+ tick_label.set_fontproperties(t_font)
+ for line in self.subplot.yaxis.get_ticklines():
+ size = t_font.get_size()
+ line.set_markersize(size / 3)
+ else:
+ self.subplot.set_ylabel(label, color=color)
+ pass
+
+ def _connect_to_xlim(self, callback):
+ """Bind the xlim change notification to the callback"""
+ def process_xlim(axes):
+ lo, hi = subplot.get_xlim()
+ callback(lo, hi)
+ self.subplot.callbacks.connect('xlim_changed', process_xlim)
+
+ def interactive_points(self, x, y, dx=None, dy=None, name='', color=0,
+ symbol=0, markersize=5, zorder=1, id=None,
+ label=None, hide_error=False):
+ """Draw markers with error bars"""
+ self.subplot.set_yscale('linear')
+ self.subplot.set_xscale('linear')
+ if id is None:
+ id = name
+ from plottable_interactor import PointInteractor
+ p = PointInteractor(self, self.subplot, zorder=zorder, id=id)
+ if p.markersize != None:
+ markersize = p.markersize
+ p.points(x, y, dx=dx, dy=dy, color=color, symbol=symbol, zorder=zorder,
+ markersize=markersize, label=label, hide_error=hide_error)
+
+ self.subplot.set_yscale(self.yscale, nonposy='clip')
+ self.subplot.set_xscale(self.xscale)
+
+ def interactive_curve(self, x, y, dy=None, name='', color=0,
+ symbol=0, zorder=1, id=None, label=None):
+ """Draw markers with error bars"""
+ self.subplot.set_yscale('linear')
+ self.subplot.set_xscale('linear')
+ if id is None:
+ id = name
+ from plottable_interactor import PointInteractor
+ p = PointInteractor(self, self.subplot, zorder=zorder, id=id)
+ p.curve(x, y, dy=dy, color=color, symbol=symbol, zorder=zorder,
+ label=label)
+
+ self.subplot.set_yscale(self.yscale, nonposy='clip')
+ self.subplot.set_xscale(self.xscale)
+
+ def plottable_selected(self, id):
+ """
+ Called to register a plottable as selected
+ """
+ #TODO: check that it really is in the list of plottables
+ self.graph.selected_plottable = id
+
+ def points(self, x, y, dx=None, dy=None,
+ color=0, symbol=0, marker_size=5, label=None,
+ id=None, hide_error=False):
+ """Draw markers with error bars"""
+
+ # Convert tuple (lo,hi) to array [(x-lo),(hi-x)]
+ if dx != None and type(dx) == type(()):
+ dx = nx.vstack((x - dx[0], dx[1] - x)).transpose()
+ if dy != None and type(dy) == type(()):
+ dy = nx.vstack((y - dy[0], dy[1] - y)).transpose()
+ if dx == None and dy == None:
+ self.subplot.plot(x, y, color=self._color(color),
+ marker=self._symbol(symbol),
+ markersize=marker_size,
+ linestyle='',
+ label=label)
+ else:
+ col = self._color(color)
+ if hide_error:
+ self.subplot.plot(x, y, color=col,
+ marker=self._symbol(symbol),
+ markersize=marker_size,
+ linestyle='',
+ label=label)
+ else:
+ self.subplot.errorbar(x, y, yerr=dy, xerr=None,
+ ecolor=col, capsize=2, linestyle='',
+ barsabove=False,
+ mec=col, mfc=col,
+ marker=self._symbol(symbol),
+ markersize=marker_size,
+ lolims=False, uplims=False,
+ xlolims=False, xuplims=False, label=label)
+
+ self.subplot.set_yscale(self.yscale, nonposy='clip')
+ self.subplot.set_xscale(self.xscale)
+
+ def _onToggleScale(self, event):
+ """
+ toggle axis and replot image
+
+ """
+ zmin_2D_temp = self.zmin_2D
+ zmax_2D_temp = self.zmax_2D
+ if self.scale == 'log_{10}':
+ self.scale = 'linear'
+ if not self.zmin_2D is None:
+ zmin_2D_temp = math.pow(10, self.zmin_2D)
+ if not self.zmax_2D is None:
+ zmax_2D_temp = math.pow(10, self.zmax_2D)
+ else:
+ self.scale = 'log_{10}'
+ if not self.zmin_2D is None:
+ # min log value: no log(negative)
+ if self.zmin_2D <= 0:
+ zmin_2D_temp = -32
+ else:
+ zmin_2D_temp = math.log10(self.zmin_2D)
+ if not self.zmax_2D is None:
+ zmax_2D_temp = math.log10(self.zmax_2D)
+
+ self.image(data=self.data, qx_data=self.qx_data,
+ qy_data=self.qy_data, xmin=self.xmin_2D,
+ xmax=self.xmax_2D,
+ ymin=self.ymin_2D, ymax=self.ymax_2D,
+ cmap=self.cmap, zmin=zmin_2D_temp,
+ zmax=zmax_2D_temp)
+
+ def image(self, data, qx_data, qy_data, xmin, xmax, ymin, ymax,
+ zmin, zmax, color=0, symbol=0, markersize=0,
+ label='data2D', cmap=DEFAULT_CMAP):
+ """
+ Render the current data
+
+ """
+ self.data = data
+ self.qx_data = qx_data
+ self.qy_data = qy_data
+ self.xmin_2D = xmin
+ self.xmax_2D = xmax
+ self.ymin_2D = ymin
+ self.ymax_2D = ymax
+ self.zmin_2D = zmin
+ self.zmax_2D = zmax
+ c = self._color(color)
+ # If we don't have any data, skip.
+ if self.data == None:
+ return
+ if self.data.ndim == 1:
+ output = self._build_matrix()
+ else:
+ output = copy.deepcopy(self.data)
+ # check scale
+ if self.scale == 'log_{10}':
+ try:
+ if self.zmin_2D <= 0 and len(output[output > 0]) > 0:
+ zmin_temp = self.zmin_2D
+ output[output > 0] = numpy.log10(output[output > 0])
+ #In log scale Negative values are not correct in general
+ #output[output<=0] = math.log(numpy.min(output[output>0]))
+ elif self.zmin_2D <= 0:
+ zmin_temp = self.zmin_2D
+ output[output > 0] = numpy.zeros(len(output))
+ output[output <= 0] = -32
+ else:
+ zmin_temp = self.zmin_2D
+ output[output > 0] = numpy.log10(output[output > 0])
+ #In log scale Negative values are not correct in general
+ #output[output<=0] = math.log(numpy.min(output[output>0]))
+ except:
+ #Too many problems in 2D plot with scale
+ pass
+
+ else:
+ zmin_temp = self.zmin_2D
+ self.cmap = cmap
+ if self.dimension != 3:
+ #Re-adjust colorbar
+ self.subplot.figure.subplots_adjust(left=0.2, right=.8, bottom=.2)
+
+ im = self.subplot.imshow(output, interpolation='nearest',
+ origin='lower',
+ vmin=zmin_temp, vmax=self.zmax_2D,
+ cmap=self.cmap,
+ extent=(self.xmin_2D, self.xmax_2D,
+ self.ymin_2D, self.ymax_2D))
+
+ cbax = self.subplot.figure.add_axes([0.84, 0.2, 0.02, 0.7])
+ else:
+ # clear the previous 2D from memory
+ # mpl is not clf, so we do
+ self.subplot.figure.clear()
+
+ self.subplot.figure.subplots_adjust(left=0.1, right=.8, bottom=.1)
+
+ X = self.x_bins[0:-1]
+ Y = self.y_bins[0:-1]
+ X, Y = numpy.meshgrid(X, Y)
+
+ try:
+ # mpl >= 1.0.0
+ ax = self.subplot.figure.gca(projection='3d')
+ #ax.disable_mouse_rotation()
+ cbax = self.subplot.figure.add_axes([0.84, 0.1, 0.02, 0.8])
+ if len(X) > 60:
+ ax.disable_mouse_rotation()
+ except:
+ # mpl < 1.0.0
+ try:
+ from mpl_toolkits.mplot3d import Axes3D
+ except:
+ logging.error("PlotPanel could not import Axes3D")
+ self.subplot.figure.clear()
+ ax = Axes3D(self.subplot.figure)
+ if len(X) > 60:
+ ax.cla()
+ cbax = None
+ self.subplot.figure.canvas.resizing = False
+ im = ax.plot_surface(X, Y, output, rstride=1, cstride=1, cmap=cmap,
+ linewidth=0, antialiased=False)
+ self.subplot.set_axis_off()
+
+ if cbax == None:
+ ax.set_frame_on(False)
+ cb = self.subplot.figure.colorbar(im, shrink=0.8, aspect=20)
+ else:
+ cb = self.subplot.figure.colorbar(im, cax=cbax)
+ cb.update_bruteforce(im)
+ cb.set_label('$' + self.scale + '$')
+ if self.dimension != 3:
+ self.figure.canvas.draw_idle()
+ else:
+ self.figure.canvas.draw()
+
+ def _build_matrix(self):
+ """
+ Build a matrix for 2d plot from a vector
+ Returns a matrix (image) with ~ square binning
+ Requirement: need 1d array formats of
+ self.data, self.qx_data, and self.qy_data
+ where each one corresponds to z, x, or y axis values
+
+ """
+ # No qx or qy given in a vector format
+ if self.qx_data == None or self.qy_data == None \
+ or self.qx_data.ndim != 1 or self.qy_data.ndim != 1:
+ # do we need deepcopy here?
+ return copy.deepcopy(self.data)
+
+ # maximum # of loops to fillup_pixels
+ # otherwise, loop could never stop depending on data
+ max_loop = 1
+ # get the x and y_bin arrays.
+ self._get_bins()
+ # set zero to None
+
+ #Note: Can not use scipy.interpolate.Rbf:
+ # 'cause too many data points (>10000)<=JHC.
+ # 1d array to use for weighting the data point averaging
+ #when they fall into a same bin.
+ weights_data = numpy.ones([self.data.size])
+ # get histogram of ones w/len(data); this will provide
+ #the weights of data on each bins
+ weights, xedges, yedges = numpy.histogram2d(x=self.qy_data,
+ y=self.qx_data,
+ bins=[self.y_bins, self.x_bins],
+ weights=weights_data)
+ # get histogram of data, all points into a bin in a way of summing
+ image, xedges, yedges = numpy.histogram2d(x=self.qy_data,
+ y=self.qx_data,
+ bins=[self.y_bins, self.x_bins],
+ weights=self.data)
+ # Now, normalize the image by weights only for weights>1:
+ # If weight == 1, there is only one data point in the bin so
+ # that no normalization is required.
+ image[weights > 1] = image[weights > 1] / weights[weights > 1]
+ # Set image bins w/o a data point (weight==0) as None (was set to zero
+ # by histogram2d.)
+ image[weights == 0] = None
+
+ # Fill empty bins with 8 nearest neighbors only when at least
+ #one None point exists
+ loop = 0
+
+ # do while loop until all vacant bins are filled up up
+ #to loop = max_loop
+ while not(numpy.isfinite(image[weights == 0])).all():
+ if loop >= max_loop: # this protects never-ending loop
+ break
+ image = self._fillup_pixels(image=image, weights=weights)
+ loop += 1
+
+ return image
+
+ def _get_bins(self):
+ """
+ get bins
+ set x_bins and y_bins into self, 1d arrays of the index with
+ ~ square binning
+ Requirement: need 1d array formats of
+ self.qx_data, and self.qy_data
+ where each one corresponds to x, or y axis values
+ """
+ # No qx or qy given in a vector format
+ if self.qx_data == None or self.qy_data == None \
+ or self.qx_data.ndim != 1 or self.qy_data.ndim != 1:
+ # do we need deepcopy here?
+ return copy.deepcopy(self.data)
+
+ # find max and min values of qx and qy
+ xmax = self.qx_data.max()
+ xmin = self.qx_data.min()
+ ymax = self.qy_data.max()
+ ymin = self.qy_data.min()
+
+ # calculate the range of qx and qy: this way, it is a little
+ # more independent
+ x_size = xmax - xmin
+ y_size = ymax - ymin
+
+ # estimate the # of pixels on each axes
+ npix_y = int(math.floor(math.sqrt(len(self.qy_data))))
+ npix_x = int(math.floor(len(self.qy_data) / npix_y))
+
+ # bin size: x- & y-directions
+ xstep = x_size / (npix_x - 1)
+ ystep = y_size / (npix_y - 1)
+
+ # max and min taking account of the bin sizes
+ xmax = xmax + xstep / 2.0
+ xmin = xmin - xstep / 2.0
+ ymax = ymax + ystep / 2.0
+ ymin = ymin - ystep / 2.0
+
+ # store x and y bin centers in q space
+ x_bins = numpy.linspace(xmin, xmax, npix_x)
+ y_bins = numpy.linspace(ymin, ymax, npix_y)
+
+ #set x_bins and y_bins
+ self.x_bins = x_bins
+ self.y_bins = y_bins
+
+ def _fillup_pixels(self, image=None, weights=None):
+ """
+ Fill z values of the empty cells of 2d image matrix
+ with the average over up-to next nearest neighbor points
+
+ :param image: (2d matrix with some zi = None)
+
+ :return: image (2d array )
+
+ :TODO: Find better way to do for-loop below
+
+ """
+ # No image matrix given
+ if image == None or numpy.ndim(image) != 2 \
+ or numpy.isfinite(image).all() \
+ or weights == None:
+ return image
+ # Get bin size in y and x directions
+ len_y = len(image)
+ len_x = len(image[1])
+ temp_image = numpy.zeros([len_y, len_x])
+ weit = numpy.zeros([len_y, len_x])
+ # do for-loop for all pixels
+ for n_y in range(len(image)):
+ for n_x in range(len(image[1])):
+ # find only null pixels
+ if weights[n_y][n_x] > 0 or numpy.isfinite(image[n_y][n_x]):
+ continue
+ else:
+ # find 4 nearest neighbors
+ # check where or not it is at the corner
+ if n_y != 0 and numpy.isfinite(image[n_y - 1][n_x]):
+ temp_image[n_y][n_x] += image[n_y - 1][n_x]
+ weit[n_y][n_x] += 1
+ if n_x != 0 and numpy.isfinite(image[n_y][n_x - 1]):
+ temp_image[n_y][n_x] += image[n_y][n_x - 1]
+ weit[n_y][n_x] += 1
+ if n_y != len_y - 1 and numpy.isfinite(image[n_y + 1][n_x]):
+ temp_image[n_y][n_x] += image[n_y + 1][n_x]
+ weit[n_y][n_x] += 1
+ if n_x != len_x - 1 and numpy.isfinite(image[n_y][n_x + 1]):
+ temp_image[n_y][n_x] += image[n_y][n_x + 1]
+ weit[n_y][n_x] += 1
+ # go 4 next nearest neighbors when no non-zero
+ # neighbor exists
+ if n_y != 0 and n_x != 0 and\
+ numpy.isfinite(image[n_y - 1][n_x - 1]):
+ temp_image[n_y][n_x] += image[n_y - 1][n_x - 1]
+ weit[n_y][n_x] += 1
+ if n_y != len_y - 1 and n_x != 0 and \
+ numpy.isfinite(image[n_y + 1][n_x - 1]):
+ temp_image[n_y][n_x] += image[n_y + 1][n_x - 1]
+ weit[n_y][n_x] += 1
+ if n_y != len_y and n_x != len_x - 1 and \
+ numpy.isfinite(image[n_y - 1][n_x + 1]):
+ temp_image[n_y][n_x] += image[n_y - 1][n_x + 1]
+ weit[n_y][n_x] += 1
+ if n_y != len_y - 1 and n_x != len_x - 1 and \
+ numpy.isfinite(image[n_y + 1][n_x + 1]):
+ temp_image[n_y][n_x] += image[n_y + 1][n_x + 1]
+ weit[n_y][n_x] += 1
+
+ # get it normalized
+ ind = (weit > 0)
+ image[ind] = temp_image[ind] / weit[ind]
+
+ return image
+
+ def curve(self, x, y, dy=None, color=0, symbol=0, label=None):
+ """Draw a line on a graph, possibly with confidence intervals."""
+ c = self._color(color)
+ self.subplot.set_yscale('linear')
+ self.subplot.set_xscale('linear')
+
+ self.subplot.plot(x, y, color=c, marker='',
+ linestyle='-', label=label)
+ self.subplot.set_yscale(self.yscale)
+ self.subplot.set_xscale(self.xscale)
+
+ def _color(self, c):
+ """Return a particular colour"""
+ return self.colorlist[c % len(self.colorlist)]
+
+ def _symbol(self, s):
+ """Return a particular symbol"""
+ return self.symbollist[s % len(self.symbollist)]
+
+ def _replot(self, remove_fit=False):
+ """
+ Rescale the plottables according to the latest
+ user selection and update the plot
+
+ :param remove_fit: Fit line will be removed if True
+
+ """
+ self.graph.reset_scale()
+ self._onEVT_FUNC_PROPERTY(remove_fit=remove_fit)
+ #TODO: Why do we have to have the following line?
+ self.fit_result.reset_view()
+ self.graph.render(self)
+ self.subplot.figure.canvas.draw_idle()
+
+ def _onEVT_FUNC_PROPERTY(self, remove_fit=True, show=True):
+ """
+ Receive the x and y transformation from myDialog,
+ Transforms x and y in View
+ and set the scale
+ """
+ # The logic should be in the right order
+ # Delete first, and then get the whole list...
+ if remove_fit:
+ self.graph.delete(self.fit_result)
+ if hasattr(self, 'plots'):
+ if 'fit' in self.plots.keys():
+ del self.plots['fit']
+ self.ly = None
+ self.q_ctrl = None
+ list = self.graph.returnPlottable()
+ # Changing the scale might be incompatible with
+ # currently displayed data (for instance, going
+ # from ln to log when all plotted values have
+ # negative natural logs).
+ # Go linear and only change the scale at the end.
+ self.set_xscale("linear")
+ self.set_yscale("linear")
+ _xscale = 'linear'
+ _yscale = 'linear'
+ for item in list:
+ if item.id == 'fit':
+ continue
+ item.setLabel(self.xLabel, self.yLabel)
+ # control axis labels from the panel itself
+ yname, yunits = item.get_yaxis()
+ if self.yaxis_label != None:
+ yname = self.yaxis_label
+ yunits = self.yaxis_unit
+ else:
+ self.yaxis_label = yname
+ self.yaxis_unit = yunits
+ xname, xunits = item.get_xaxis()
+ if self.xaxis_label != None:
+ xname = self.xaxis_label
+ xunits = self.xaxis_unit
+ else:
+ self.xaxis_label = xname
+ self.xaxis_unit = xunits
+ # Goes through all possible scales
+ if self.xLabel == "x":
+ item.transformX(transform.toX, transform.errToX)
+ self.graph._xaxis_transformed("%s" % xname, "%s" % xunits)
+ if self.xLabel == "x^(2)":
+ item.transformX(transform.toX2, transform.errToX2)
+ xunits = convert_unit(2, xunits)
+ self.graph._xaxis_transformed("%s^{2}" % xname, "%s" % xunits)
+ if self.xLabel == "x^(4)":
+ item.transformX(transform.toX4, transform.errToX4)
+ xunits = convert_unit(4, xunits)
+ self.graph._xaxis_transformed("%s^{4}" % xname, "%s" % xunits)
+ if self.xLabel == "ln(x)":
+ item.transformX(transform.toLogX, transform.errToLogX)
+ self.graph._xaxis_transformed("\ln{(%s)}" % xname, "%s" % xunits)
+ if self.xLabel == "log10(x)":
+ item.transformX(transform.toX_pos, transform.errToX_pos)
+ _xscale = 'log'
+ self.graph._xaxis_transformed("%s" % xname, "%s" % xunits)
+ if self.xLabel == "log10(x^(4))":
+ item.transformX(transform.toX4, transform.errToX4)
+ xunits = convert_unit(4, xunits)
+ self.graph._xaxis_transformed("%s^{4}" % xname, "%s" % xunits)
+ _xscale = 'log'
+ if self.yLabel == "ln(y)":
+ item.transformY(transform.toLogX, transform.errToLogX)
+ self.graph._yaxis_transformed("\ln{(%s)}" % yname, "%s" % yunits)
+ if self.yLabel == "y":
+ item.transformY(transform.toX, transform.errToX)
+ self.graph._yaxis_transformed("%s" % yname, "%s" % yunits)
+ if self.yLabel == "log10(y)":
+ item.transformY(transform.toX_pos, transform.errToX_pos)
+ _yscale = 'log'
+ self.graph._yaxis_transformed("%s" % yname, "%s" % yunits)
+ if self.yLabel == "y^(2)":
+ item.transformY(transform.toX2, transform.errToX2)
+ yunits = convert_unit(2, yunits)
+ self.graph._yaxis_transformed("%s^{2}" % yname, "%s" % yunits)
+ if self.yLabel == "1/y":
+ item.transformY(transform.toOneOverX, transform.errOneOverX)
+ yunits = convert_unit(-1, yunits)
+ self.graph._yaxis_transformed("1/%s" % yname, "%s" % yunits)
+ if self.yLabel == "y*x^(2)":
+ item.transformY(transform.toYX2, transform.errToYX2)
+ xunits = convert_unit(2, self.xaxis_unit)
+ self.graph._yaxis_transformed("%s \ \ %s^{2}" % (yname, xname),
+ "%s%s" % (yunits, xunits))
+ if self.yLabel == "y*x^(4)":
+ item.transformY(transform.toYX4, transform.errToYX4)
+ xunits = convert_unit(4, self.xaxis_unit)
+ self.graph._yaxis_transformed("%s \ \ %s^{4}" % (yname, xname),
+ "%s%s" % (yunits, xunits))
+ if self.yLabel == "1/sqrt(y)":
+ item.transformY(transform.toOneOverSqrtX,
+ transform.errOneOverSqrtX)
+ yunits = convert_unit(-0.5, yunits)
+ self.graph._yaxis_transformed("1/\sqrt{%s}" % yname,
+ "%s" % yunits)
+ if self.yLabel == "ln(y*x)":
+ item.transformY(transform.toLogXY, transform.errToLogXY)
+ self.graph._yaxis_transformed("\ln{(%s \ \ %s)}" % (yname, xname),
+ "%s%s" % (yunits, self.xaxis_unit))
+ if self.yLabel == "ln(y*x^(2))":
+ item.transformY(transform.toLogYX2, transform.errToLogYX2)
+ xunits = convert_unit(2, self.xaxis_unit)
+ self.graph._yaxis_transformed("\ln (%s \ \ %s^{2})" % (yname, xname),
+ "%s%s" % (yunits, xunits))
+ if self.yLabel == "ln(y*x^(4))":
+ item.transformY(transform.toLogYX4, transform.errToLogYX4)
+ xunits = convert_unit(4, self.xaxis_unit)
+ self.graph._yaxis_transformed("\ln (%s \ \ %s^{4})" % (yname, xname),
+ "%s%s" % (yunits, xunits))
+ if self.yLabel == "log10(y*x^(4))":
+ item.transformY(transform.toYX4, transform.errToYX4)
+ xunits = convert_unit(4, self.xaxis_unit)
+ _yscale = 'log'
+ self.graph._yaxis_transformed("%s \ \ %s^{4}" % (yname, xname),
+ "%s%s" % (yunits, xunits))
+ item.transformView()
+
+ # set new label and units
+ yname = self.graph.prop["ylabel"]
+ yunits = ''
+ xname = self.graph.prop["xlabel"]
+ xunits = ''
+
+ self.resetFitView()
+ self.prevXtrans = self.xLabel
+ self.prevYtrans = self.yLabel
+ self.graph.render(self)
+ self.set_xscale(_xscale)
+ self.set_yscale(_yscale)
+
+ self.xaxis(xname, xunits, self.xaxis_font,
+ self.xaxis_color, self.xaxis_tick)
+ self.yaxis(yname, yunits, self.yaxis_font,
+ self.yaxis_color, self.yaxis_tick)
+ self.subplot.texts = self.textList
+ if show:
+ self.subplot.figure.canvas.draw_idle()
+
+ def onFitDisplay(self, tempx, tempy, xminView,
+ xmaxView, xmin, xmax, func):
+ """
+ Add a new plottable into the graph .In this case this plottable
+ will be used to fit some data
+
+ :param tempx: The x data of fit line
+ :param tempy: The y data of fit line
+ :param xminView: the lower bound of fitting range
+ :param xminView: the upper bound of fitting range
+ :param xmin: the lowest value of data to fit to the line
+ :param xmax: the highest value of data to fit to the line
+
+ """
+ xlim = self.subplot.get_xlim()
+ ylim = self.subplot.get_ylim()
+
+ # Saving value to redisplay in Fit Dialog when it is opened again
+ self.Avalue, self.Bvalue, self.ErrAvalue, \
+ self.ErrBvalue, self.Chivalue = func
+ self.xminView = xminView
+ self.xmaxView = xmaxView
+ self.xmin = xmin
+ self.xmax = xmax
+ #In case need to change the range of data plotted
+ for item in self.graph.returnPlottable():
+ item.onFitRange(None, None)
+ # Create new data plottable with result
+ self.fit_result.x = []
+ self.fit_result.y = []
+ self.fit_result.x = tempx
+ self.fit_result.y = tempy
+ self.fit_result.dx = None
+ self.fit_result.dy = None
+ #Load the view with the new values
+ self.fit_result.reset_view()
+ # Add the new plottable to the graph
+ self.graph.add(self.fit_result)
+ self.graph.render(self)
+ self._offset_graph()
+ if hasattr(self, 'plots'):
+ # Used by Plotter1D
+ fit_id = 'fit'
+ self.fit_result.id = fit_id
+ self.fit_result.title = 'Fit'
+ self.fit_result.name = 'Fit'
+ self.plots[fit_id] = self.fit_result
+ self.subplot.set_xlim(xlim)
+ self.subplot.set_ylim(ylim)
+ self.subplot.figure.canvas.draw_idle()
+
+ def onChangeCaption(self, event):
+ """
+ """
+ if self.parent == None:
+ return
+ # get current caption
+ old_caption = self.window_caption
+ # Get new caption dialog
+ dial = LabelDialog(None, -1, 'Modify Window Title', old_caption)
+ if dial.ShowModal() == wx.ID_OK:
+ new_caption = dial.getText()
+
+ # send to guiframe to change the panel caption
+ caption = self.parent.on_change_caption(self.window_name,
+ old_caption, new_caption)
+
+ # also set new caption in plot_panels list
+ self.parent.plot_panels[self.uid].window_caption = caption
+ # set new caption
+ self.window_caption = caption
+
+ dial.Destroy()
+
+ def onResetGraph(self, event):
+ """
+ Reset the graph by plotting the full range of data
+ """
+ for item in self.graph.returnPlottable():
+ item.onReset()
+ self.graph.render(self)
+ self._onEVT_FUNC_PROPERTY(False)
+ self.is_zoomed = False
+ self.toolbar.update()
+
+ def onPrint(self, event=None):
+ self.toolbar.print_figure(event)
+
+ def onPrinterSetup(self, event=None):
+ """
+ """
+ self.canvas.Printer_Setup(event=event)
+ self.Update()
+
+ def onPrinterPreview(self, event=None):
+ """
+ Matplotlib camvas can no longer print itself. Thus need to do
+ everything ourselves: need to create a printpreview frame to to
+ see the preview but needs a parent frame object. Also needs a
+ printout object (just as any printing task).
+ """
+ try:
+ #check if parent is a frame. If not keep getting the higher
+ #parent till we find a frame
+ _plot = self
+ while not isinstance(_plot, wx.Frame):
+ _plot = _plot.GetParent()
+ assert _plot is not None
+
+ #now create the printpeview object
+ _preview = wx.PrintPreview(PlotPrintout(self.canvas),
+ PlotPrintout(self.canvas))
+ #and tie it to a printpreview frame then show it
+ _frame = wx.PreviewFrame(_preview, _plot, "Print Preview", wx.Point(100, 100), wx.Size(600, 650))
+ _frame.Centre(wx.BOTH)
+ _frame.Initialize()
+ _frame.Show(True)
+ except:
+ traceback.print_exc()
+ pass
+
+ def OnCopyFigureMenu(self, evt):
+ """
+ Copy the current figure to clipboard
+ """
+ try:
+ self.toolbar.copy_figure(self.canvas)
+ except:
+ print "Error in copy Image"
+
+
+#---------------------------------------------------------------
+class NoRepaintCanvas(FigureCanvasWxAgg):
+ """
+ We subclass FigureCanvasWxAgg, overriding the _onPaint method, so that
+ the draw method is only called for the first two paint events. After that,
+ the canvas will only be redrawn when it is resized.
+
+ """
+ def __init__(self, *args, **kwargs):
+ """
+ """
+ FigureCanvasWxAgg.__init__(self, *args, **kwargs)
+ self._drawn = 0
+
+ def _onPaint(self, evt):
+ """
+ Called when wxPaintEvt is generated
+
+ """
+ if not self._isRealized:
+ self.realize()
+ if self._drawn < 2:
+ self.draw(repaint=False)
+ self._drawn += 1
+ self.gui_repaint(drawDC=wx.PaintDC(self))
diff --git a/src/sas/sasgui/plottools/PropertyDialog.py b/src/sas/sasgui/plottools/PropertyDialog.py
new file mode 100644
index 0000000..27833f4
--- /dev/null
+++ b/src/sas/sasgui/plottools/PropertyDialog.py
@@ -0,0 +1,116 @@
+"""
+"""
+import wx
+
+class Properties(wx.Dialog):
+ """
+ """
+ def __init__(self, parent, id=-1, title="Select the scale of the graph"):
+ wx.Dialog.__init__(self, parent, id, title)
+ self.parent = parent
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ sizer = wx.GridBagSizer(5, 5)
+
+ x_size = 70
+
+ ix = 1
+ iy = 1
+ sizer.Add(wx.StaticText(self, -1, 'X'), (iy, ix))
+ ix += 2
+ sizer.Add(wx.StaticText(self, -1, 'Y'), (iy, ix))
+ ix += 2
+ sizer.Add(wx.StaticText(self, -1, 'View'), (iy, ix))
+ iy += 1
+ ix = 1
+ self.xvalue = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ x_size += self.xvalue.GetSize()[0]
+ sizer.Add(self.xvalue, (iy, ix), (1, 1), wx.ADJUST_MINSIZE, 0)
+
+ ix += 2
+ self.yvalue = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ x_size += self.yvalue.GetSize()[0]
+ sizer.Add(self.yvalue, (iy, ix), (1, 1), wx.ADJUST_MINSIZE, 0)
+
+ ix += 2
+ self.view = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ self.view.Bind(wx.EVT_COMBOBOX, self.viewChanged)
+ x_size += self.view.GetSize()[0]
+ self.view.SetMinSize((160, 30))
+ sizer.Add(self.view, (iy, ix), (1, 1),
+ wx.EXPAND | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ self.SetMinSize((x_size, 50))
+ vbox.Add(sizer, 0, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ cancel_button = wx.Button(self, wx.ID_CANCEL, 'Cancel')
+ ok_button = wx.Button(self, wx.ID_OK, "OK")
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(ok_button, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(cancel_button, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ vbox.Add(sizer_button, 0,
+ wx.EXPAND | wx.TOP | wx.BOTTOM | wx.ADJUST_MINSIZE, 10)
+ # scale value for x
+ self.xvalue.SetValue("ln(x)")
+ self.xvalue.Insert("x", 0)
+ self.xvalue.Insert("x^(2)", 1)
+ self.xvalue.Insert("x^(4)", 2)
+ self.xvalue.Insert("ln(x)", 3)
+ self.xvalue.Insert("log10(x)", 4)
+ self.xvalue.Insert("log10(x^(4))", 5)
+
+ # scale value for y
+ self.yvalue.SetValue("ln(y)")
+ self.yvalue.Insert("y", 0)
+ self.yvalue.Insert("1/y", 1)
+ self.yvalue.Insert("ln(y)", 2)
+ self.yvalue.Insert("y^(2)", 3)
+ self.yvalue.Insert("y*x^(2)", 4)
+ self.yvalue.Insert("y*x^(4)", 5)
+ self.yvalue.Insert("1/sqrt(y)", 6)
+ self.yvalue.Insert("log10(y)", 7)
+ self.yvalue.Insert("ln(y*x)", 8)
+ self.yvalue.Insert("ln(y*x^(2))", 9)
+ self.yvalue.Insert("ln(y*x^(4))", 10)
+ self.yvalue.Insert("log10(y*x^(4))", 11)
+ # type of view or model used
+ self.view.SetValue("--")
+ self.view.Insert("--", 0)
+ self.view.Insert("Linear y vs x", 1)
+ self.view.Insert("Guinier lny vs x^(2)", 2)
+ self.view.Insert("XS Guinier ln(y*x) vs x^(2)", 3)
+ self.view.Insert("Porod y*x^(4) vs x^(4)", 4)
+ self.view.Insert("Kratky y*x^(2) vs x", 5)
+ self.SetSizer(vbox)
+ self.Fit()
+ self.Centre()
+
+ def viewChanged(self, event):
+ event.Skip()
+ view = self.view.GetValue()
+ if view == "Linear y vs x":
+ self.xvalue.SetValue("x")
+ self.yvalue.SetValue("y")
+ elif view == "Guinier lny vs x^(2)":
+ self.xvalue.SetValue("x^(2)")
+ self.yvalue.SetValue("ln(y)")
+ elif view == "XS Guinier ln(y*x) vs x^(2)":
+ self.xvalue.SetValue("x^(2)")
+ self.yvalue.SetValue("ln(y*x)")
+ elif view == "Porod y*x^(4) vs x^(4)":
+ self.xvalue.SetValue("x^(4)")
+ self.yvalue.SetValue("y*x^(4)")
+ elif view == "Kratky y*x^(2) vs x":
+ self.xvalue.SetValue("x")
+ self.yvalue.SetValue("y*x^(2)")
+
+ def setValues(self, x, y, view):
+ """
+ """
+ return self.xvalue.SetValue(x), self.yvalue.SetValue(y), \
+ self.view.SetValue(view)
+
+ def getValues(self):
+ """
+ """
+ return self.xvalue.GetValue(), self.yvalue.GetValue(), \
+ self.view.GetValue()
diff --git a/src/sas/sasgui/plottools/RangeDialog.py b/src/sas/sasgui/plottools/RangeDialog.py
new file mode 100644
index 0000000..9c7839f
--- /dev/null
+++ b/src/sas/sasgui/plottools/RangeDialog.py
@@ -0,0 +1,101 @@
+import wx
+from math import log10
+from math import floor
+
+class RangeDialog(wx.Dialog):
+ def __init__(self, parent, id, title="Set Graph Range"):
+ wx.Dialog.__init__(self, parent, id, title, size=(350, 175))
+
+ mainbox = wx.BoxSizer(wx.VERTICAL)
+
+ x_box = wx.BoxSizer(wx.HORIZONTAL)
+
+ xmin_label = wx.StaticText(self, -1, 'xmin: ', size=(50,20))
+ x_box.Add(xmin_label)
+ self.xmin_input = wx.TextCtrl(self, -1, size=(75, -1))
+ x_box.Add(self.xmin_input)
+
+ x_box.AddSpacer(35)
+
+ xmax_label = wx.StaticText(self, -1, "xmax: ", size=(50,20))
+ x_box.Add(xmax_label)
+ self.xmax_input = wx.TextCtrl(self, -1, size=(75, -1))
+ x_box.Add(self.xmax_input)
+
+ mainbox.Add(x_box, flag=wx.CENTER | wx.ALL, border=10)
+
+ y_box = wx.BoxSizer(wx.HORIZONTAL)
+
+ ymin_label = wx.StaticText(self, -1, 'ymin: ', size=(50,20))
+ y_box.Add(ymin_label)
+ self.ymin_input = wx.TextCtrl(self, -1, size=(75, -1))
+ y_box.Add(self.ymin_input)
+
+ y_box.AddSpacer(35)
+
+ ymax_label = wx.StaticText(self, -1, "ymax: ", size=(50,20))
+ y_box.Add(ymax_label)
+ self.ymax_input = wx.TextCtrl(self, -1, size=(75, -1))
+ y_box.Add(self.ymax_input)
+
+ mainbox.Add(y_box, flag=wx.CENTER | wx.ALL, border=10)
+
+ btn_sizer = wx.BoxSizer(wx.HORIZONTAL)
+ btn_sizer.AddSpacer(20)
+
+ ok_btn = wx.Button(self, wx.ID_OK, 'Done')
+ btn_sizer.Add(ok_btn)
+
+ btn_sizer.AddSpacer(5)
+
+ cancel_btn = wx.Button(self, wx.ID_CANCEL, 'Cancel')
+ btn_sizer.Add(cancel_btn)
+
+ mainbox.Add(btn_sizer, flag=wx.CENTER, border=10)
+
+ self.SetSizer(mainbox)
+
+ def GetXRange(self):
+ xmin, xmax = (None, None)
+ try:
+ xmin = float(self.xmin_input.GetValue())
+ except:
+ pass
+ try:
+ xmax = float(self.xmax_input.GetValue())
+ except:
+ pass
+
+ if xmin is not None and xmax is not None:
+ return (xmin, xmax)
+ return None
+
+ def SetXRange(self, x_range):
+ xmin, xmax = x_range
+ self.xmin_input.SetValue(str(self._round_to_sigfig(xmin, 8)))
+ self.xmax_input.SetValue(str(self._round_to_sigfig(xmax, 8)))
+
+ def GetYRange(self):
+ ymin, ymax = (None, None)
+ try:
+ ymin = float(self.ymin_input.GetValue())
+ except:
+ pass
+ try:
+ ymax = float(self.ymax_input.GetValue())
+ except:
+ pass
+
+ if ymin is not None and ymax is not None:
+ return (ymin, ymax)
+ return None
+
+ def SetYRange(self, y_range):
+ ymin, ymax = y_range
+ self.ymin_input.SetValue(str(self._round_to_sigfig(ymin, 8)))
+ self.ymax_input.SetValue(str(self._round_to_sigfig(ymax, 8)))
+
+ def _round_to_sigfig(self, x, sigfigs):
+ if x == 0.0:
+ return 0.0
+ return round(x, sigfigs-1-int(floor(log10(abs(x)))))
diff --git a/src/sas/sasgui/plottools/SimpleFont.py b/src/sas/sasgui/plottools/SimpleFont.py
new file mode 100644
index 0000000..abea4c5
--- /dev/null
+++ b/src/sas/sasgui/plottools/SimpleFont.py
@@ -0,0 +1,114 @@
+
+"""
+This software was developed by Institut Laue-Langevin as part of
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE).
+
+Copyright 2012 Institut Laue-Langevin
+"""
+
+# this is a dead simple dialog for getting font family, size,style and weight
+
+
+import wx
+from matplotlib.font_manager import FontProperties
+
+FAMILY = ['serif', 'sas-serif', 'fantasy', 'monospace']
+SIZE = [8, 9, 10, 12, 14, 16, 18, 20, 22, 24, 26, 28, 36, 48, 72]
+STYLE = ['normal', 'italic']
+WEIGHT = ['light', 'normal', 'bold']
+
+
+class SimpleFont(wx.Dialog):
+ def __init__(self, parent, id, title):
+
+ wx.Dialog.__init__(self, parent, id, title, size=(440, 160))
+ self.parent = parent
+# self.SetWindowVariant(variant=FONT_VARIANT)
+
+ self.family = FAMILY[1]
+ self.size = SIZE[3]
+ self.style = STYLE[0]
+ self.weight = WEIGHT[1]
+ self.tick_label = None
+ self.tick_label_check = None
+ self.InitUI()
+ self.Centre()
+ self.Show()
+
+ def InitUI(self):
+ self.font_family = wx.ComboBox(self, pos=(80, 10), style=wx.CB_READONLY, size=(100, -1))
+ self.font_style = wx.ComboBox(self, pos=(80, 60), style=wx.CB_READONLY, size=(100, -1))
+ self.font_point = wx.ComboBox(self, pos=(300, 10), style=wx.CB_READONLY, size=(100, -1))
+ self.font_weight = wx.ComboBox(self, pos=(300, 60), style=wx.CB_READONLY, size=(100, -1))
+ self.tick_label_check = wx.CheckBox(self, -1, label='', pos=(80, 100), size=(15, -1))
+ self.tick_label_check.SetValue(False)
+ wx.Button(self, wx.ID_OK, 'OK', pos=(215, 100))
+ wx.Button(self, wx.ID_CANCEL, 'Cancel', pos=(315, 100))
+
+ self._set_family_list()
+ self._set_style_list()
+ self._set_weight_list()
+ self._set_point_list()
+
+ wx.StaticText(self, label='Family:', pos=(10, 12))
+ wx.StaticText(self, label='Size:', pos=(220, 12))
+ wx.StaticText(self, label='Style:', pos=(10, 62))
+ wx.StaticText(self, label='Weight:', pos=(220, 62))
+ tick_label_text = wx.StaticText(self, label='Tick label?', pos=(10, 100))
+ tick_label_text.SetToolTipString("Apply to tick label too.")
+
+ def _set_family_list(self):
+ # list of font family
+ for idx in range(len(FAMILY)):
+ self.font_family.Append(FAMILY[idx], idx)
+
+ def _set_style_list(self):
+ # list of styles
+ for idx in range(len(STYLE)):
+ self.font_style.Append(STYLE[idx], idx)
+
+ def _set_weight_list(self):
+ # list of weights
+ for idx in range(len(WEIGHT)):
+ self.font_weight.Append(WEIGHT[idx], idx)
+
+ def _set_point_list(self):
+ # list of point sizes
+ for idx in range(len(SIZE)):
+ self.font_point.Append(str(SIZE[idx]), idx)
+
+ def get_ticklabel_check(self):
+ """
+ Get tick label check value
+ """
+ self.tick_label = self.tick_label_check.GetValue()
+ return self.tick_label
+
+ def set_ticklabel_check(self, check=False):
+ """
+ Set tick label check value
+ """
+ self.tick_label_check.SetValue(check)
+
+ def set_default_font(self, font):
+
+ if not font:
+ self.font_family.SetSelection(1)
+ self.font_weight.SetSelection(1)
+ self.font_point.SetSelection(3)
+ self.font_style.SetSelection(0)
+ else:
+ self.font_weight.SetStringSelection(str(font.get_weight()))
+ self.font_point.SetStringSelection(str(int(font.get_size())))
+ self.font_family.SetStringSelection(str(font.get_family()[0]))
+ self.font_style.SetStringSelection(str(font.get_style()))
+
+ def get_font(self):
+ font_properties = FontProperties()
+ font = font_properties.copy()
+ font.set_size(str(self.font_point.GetValue()))
+ font.set_name(str(self.font_family.GetValue()))
+ font.set_slant(str(self.font_style.GetValue()))
+ font.set_weight(str(self.font_weight.GetValue()))
+
+ return font
diff --git a/src/sas/sasgui/plottools/SizeDialog.py b/src/sas/sasgui/plottools/SizeDialog.py
new file mode 100644
index 0000000..3828d4c
--- /dev/null
+++ b/src/sas/sasgui/plottools/SizeDialog.py
@@ -0,0 +1,38 @@
+import wx
+
+
+class SizeDialog(wx.Dialog):
+ def __init__(self, parent, id, title):
+ wx.Dialog.__init__(self, parent, id, title, size=(300, 175))
+
+ mainbox = wx.BoxSizer(wx.VERTICAL)
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ textbox = wx.BoxSizer(wx.HORIZONTAL)
+ hbox = wx.BoxSizer(wx.HORIZONTAL)
+ text1 = "Enter in a custom size (> 0 accepted)"
+ msg = wx.StaticText(self, -1, text1, (30, 15), style=wx.ALIGN_CENTRE)
+ msg.SetLabel(text1)
+ self.text_ctrl = wx.TextCtrl(self, -1, '', (100, 50))
+
+ textbox.Add(self.text_ctrl, flag=wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, border=10)
+ vbox.Add(msg, flag=wx.ALL, border=10, proportion=1)
+ vbox.Add(textbox, flag=wx.EXPAND | wx.TOP | wx.BOTTOM | wx.ADJUST_MINSIZE, border=10)
+ self.text_ctrl.SetValue(str(5))
+
+ ok_button = wx.Button(self, wx.ID_OK, 'OK', size=(70, 25))
+ close_button = wx.Button(self, wx.ID_CANCEL, 'Cancel', size=(70, 25))
+
+ hbox.Add(ok_button)
+ hbox.Add((20, 20))
+ hbox.Add(close_button)
+
+ mainbox.Add(vbox, flag=wx.ALL, border=10)
+ mainbox.Add(wx.StaticLine(self), 0, wx.ALL | wx.EXPAND, 5)
+ mainbox.Add(hbox, flag=wx.CENTER, border=10)
+ self.SetSizer(mainbox)
+
+ def getText(self):
+ """
+ Get text typed
+ """
+ return self.text_ctrl.GetValue()
diff --git a/src/sas/sasgui/plottools/TextDialog.py b/src/sas/sasgui/plottools/TextDialog.py
new file mode 100644
index 0000000..6812cc0
--- /dev/null
+++ b/src/sas/sasgui/plottools/TextDialog.py
@@ -0,0 +1,307 @@
+import wx
+import sys
+
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+ PNL_WIDTH = 460
+else:
+ FONT_VARIANT = 1
+ PNL_WIDTH = 500
+FAMILY = ['serif', 'sans-serif', 'fantasy', 'monospace']
+SIZE = [8, 9, 10, 12, 14, 16, 18, 20, 22, 24, 26, 28, 36, 48, 72]
+STYLE = ['normal', 'italic']
+WEIGHT = ['light', 'normal', 'bold']
+COLOR = ['black', 'blue', 'green', 'red', 'cyan', 'magenta', 'yellow']
+
+
+class TextDialog(wx.Dialog):
+ def __init__(self, parent, id, title, label='', unit=None):
+ """
+ Dialog window pops- up when selecting 'Add Text' on the toolbar
+ """
+ wx.Dialog.__init__(self, parent, id, title, size=(PNL_WIDTH, 300))
+ self.parent = parent
+ # Font
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # default
+ self.family = FAMILY[1]
+ self.size = SIZE[3]
+ self.style = STYLE[0]
+ self.weight = WEIGHT[1]
+ self.color = COLOR[0]
+ self.tick_label = False
+ # Dialog interface
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ text_box = wx.BoxSizer(wx.HORIZONTAL)
+ sizer = wx.GridBagSizer(1, 3)
+ _BOX_WIDTH = 70
+ font_description = wx.StaticBox(self, -1, 'Font')
+ font_box = wx.StaticBoxSizer(font_description, wx.VERTICAL)
+ family_box = wx.BoxSizer(wx.HORIZONTAL)
+ style_box = wx.BoxSizer(wx.HORIZONTAL)
+ # tcA
+ if unit != None:
+ styles = wx.TAB_TRAVERSAL
+ height = -1
+ unit_text = wx.StaticText(self, -1, 'Unit :')
+ unit_text.SetToolTipString("Unit of the axis.")
+ self.unit_ctrl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
+ self.unit_ctrl.SetValue(str(unit))
+ unit_box = wx.BoxSizer(wx.HORIZONTAL)
+ tick_label_text = wx.StaticText(self, -1, 'Tick label')
+ tick_label_text.SetToolTipString("Apply to tick label too.")
+ self.tick_label_check = wx.CheckBox(self, -1, '', (10, 10))
+ self.tick_label_check.SetValue(False)
+ self.tick_label_check.SetToolTipString("Apply to tick label too.")
+ wx.EVT_CHECKBOX(self, self.tick_label_check.GetId(),
+ self.on_tick_label)
+ enter_text = 'Enter text:'
+ else:
+ styles = wx.TAB_TRAVERSAL | wx.TE_MULTILINE | wx.TE_LINEWRAP | \
+ wx.TE_PROCESS_ENTER | wx.SUNKEN_BORDER | wx.HSCROLL
+ height = 60
+ unit_text = None
+ self.unit_ctrl = None
+ unit_box = None
+ tick_label_text = None
+ self.tick_label_check = None
+ enter_text = 'Enter text'
+ if len(label) > 0:
+ enter_text += " (this text won't be auto-updated if modified.):"
+ else:
+ enter_text += ":"
+ self.text_string = wx.TextCtrl(self, -1, size=(PNL_WIDTH - 30, height), style=styles)
+ self.text_string.SetValue(str(label))
+ self.text_string.SetToolTipString("The text that will be displayed.")
+ # font family
+ self.font_family = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.font_family, -1, self.on_family)
+ self.font_family.SetMinSize((_BOX_WIDTH, -1))
+ self._set_family_list()
+ self.font_family.SetSelection(1)
+ self.font_family.SetToolTipString("Font family of the text.")
+ # font weight
+ self.font_weight = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.font_weight, -1, self.on_weight)
+ self.font_weight.SetMinSize((_BOX_WIDTH, -1))
+ self._set_weight_list()
+ self.font_weight.SetSelection(1)
+ self.font_weight.SetToolTipString("Font weight of the text.")
+ # font family
+ self.font_size = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.font_size, -1, self.on_size)
+ self.font_size.SetMinSize((_BOX_WIDTH, -1))
+ self._set_size_list()
+ self.font_size.SetSelection(5)
+ self.font_size.SetToolTipString("Font size of the text.")
+ # font style
+ self.font_style = wx.ComboBox(self, -1, style=wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.font_style, -1, self.on_style)
+ self.font_style.SetMinSize((_BOX_WIDTH, -1))
+ self._set_style_list()
+ self.font_style.SetSelection(0)
+ self.font_style.SetToolTipString("Font style of the text.")
+ # font color
+ self.font_color = wx.ComboBox(self, -1, style = wx.CB_READONLY)
+ wx.EVT_COMBOBOX(self.font_color, -1, self.on_color)
+ self.font_color.SetMinSize((_BOX_WIDTH, -1))
+ self._set_color_list()
+ self.font_color.SetSelection(0)
+ self.font_color.SetToolTipString("Font color of the text.")
+ # Buttons on the bottom
+ self.static_line_1 = wx.StaticLine(self, -1)
+ self.ok_button = wx.Button(self, wx.ID_OK, 'OK',
+ size = (_BOX_WIDTH, 25))
+ self.close_button = wx.Button(self, wx.ID_CANCEL, 'Cancel',
+ size = (_BOX_WIDTH, 25))
+
+ # Intro
+ explanation = "Select font properties :"
+ vbox.Add(sizer)
+ ix = 0
+ iy = 1
+ sizer.Add(wx.StaticText(self, -1, explanation), (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ family_box.Add(wx.StaticText(self, -1, 'Family :', size = (50, -1)),
+ 0, wx.TOP, 5)
+ family_box.Add(self.font_family, 0, 0)
+ family_box.Add((_BOX_WIDTH / 2, -1))
+ family_box.Add(wx.StaticText(self, -1, 'Size :', size = (50, -1)),
+ 0, wx.TOP, 5)
+ family_box.Add(self.font_size, 0, 0)
+ if unit_box != None:
+ family_box.Add((_BOX_WIDTH / 2, -1))
+ family_box.Add(tick_label_text, 0, 0)
+ family_box.Add(self.tick_label_check, 0, 0)
+ style_box.Add(wx.StaticText(self, -1, 'Style :', size = (50, -1)),
+ 0, wx.TOP, 5)
+ style_box.Add(self.font_style, 0, 0)
+ style_box.Add((_BOX_WIDTH / 2, -1))
+ style_box.Add(wx.StaticText(self, -1, 'Weight :', size = (50, -1)),
+ 0, wx.TOP, 5)
+ style_box.Add(self.font_weight, 0, 0)
+ style_box.Add((_BOX_WIDTH / 2, -1))
+ style_box.Add(wx.StaticText(self, -1, 'Color :', size = (45, -1)),
+ 0, wx.TOP, 5)
+ style_box.Add(self.font_color, 0, 0)
+ font_box.Add(family_box, 0, 10)
+ font_box.Add((0,5))
+ font_box.Add(style_box, 0, 10)
+ iy += 1
+ ix = 0
+ sizer.Add(font_box, (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 2
+ ix = 0
+ sizer.Add(wx.StaticText(self, -1, enter_text), (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ text_box.Add((15, 10))
+ text_box.Add(self.text_string)
+ vbox.Add(text_box, 0, wx.EXPAND, 15)
+ if unit_box != None:
+ unit_box.Add(unit_text, 0, 0)
+ unit_box.Add(self.unit_ctrl, 0, 0)
+ vbox.Add((5, 5))
+ vbox.Add(unit_box, 0, wx.LEFT, 15)
+
+ vbox.Add((10, 10))
+ vbox.Add(self.static_line_1, 0, wx.EXPAND, 10)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+ sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(self.ok_button, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(self.close_button, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ vbox.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
+ self.SetSizer(vbox)
+ self.Centre()
+
+ def _set_family_list(self):
+ """
+ Set the list of font family
+ """
+ # list of family choices
+ for idx in range(len(FAMILY)):
+ self.font_family.Append(FAMILY[idx], idx)
+
+ def _set_size_list(self):
+ """
+ Set the list of font size
+ """
+ # list of size choices
+ for idx in range(len(SIZE)):
+ self.font_size.Append(str(SIZE[idx]), idx)
+
+ def _set_weight_list(self):
+ """
+ Set the list of font weight
+ """
+ # list of weight choices
+ for idx in range(len(WEIGHT)):
+ self.font_weight.Append(WEIGHT[idx], idx)
+
+ def _set_style_list(self):
+ """
+ Set the list of font style
+ """
+ # list of style choices
+ for idx in range(len(STYLE)):
+ self.font_style.Append(STYLE[idx], idx)
+
+ def _set_color_list(self):
+ """
+ Set the list of font color
+ """
+ # list of tyle choices
+ for idx in range(len(COLOR)):
+ self.font_color.Append(COLOR[idx], idx)
+
+ def on_tick_label(self, event):
+ """
+ Set the font for tick label
+ """
+ event.Skip()
+ self.tick_label = self.tick_label_check.GetValue()
+
+ def on_family(self, event):
+ """
+ Set the family
+ """
+ event.Skip()
+ self.family = self.font_family.GetValue()
+
+ def on_style(self, event):
+ """
+ Set the style
+ """
+ event.Skip()
+ self.style = self.font_style.GetValue()
+
+ def on_weight(self, event):
+ """
+ Set the weight
+ """
+ event.Skip()
+ self.weight = self.font_weight.GetValue()
+
+ def on_size(self, event):
+ """
+ Set the size
+ """
+ event.Skip()
+ self.size = self.font_size.GetValue()
+
+ def on_color(self, event):
+ """
+ Set the color
+ """
+ event.Skip()
+ self.color = self.font_color.GetValue()
+
+ def getText(self):
+ """
+ Returns text string as input by user.
+ """
+ return self.text_string.GetValue()
+
+ def getUnit(self):
+ """
+ Returns unit string as input by user.
+ """
+ return self.unit_ctrl.GetValue()
+
+ def getFamily(self):
+ """
+ Returns font family for the text box
+ """
+ return str(self.family)
+
+ def getStyle(self):
+ """
+ Returns font tyle for the text box
+ """
+ return str(self.style)
+
+ def getWeight(self):
+ """
+ Returns font weight for the text box
+ """
+ return str(self.weight)
+
+ def getSize(self):
+ """
+ Returns font size for the text box
+ """
+ return int(self.size)
+
+ def getColor(self):
+ """
+ Returns font size for the text box
+ """
+ return str(self.color)
+
+ def getTickLabel(self):
+ """
+ Bool for use on tick label
+ """
+ return self.tick_label
diff --git a/src/sas/sasgui/plottools/__init__.py b/src/sas/sasgui/plottools/__init__.py
new file mode 100644
index 0000000..1f23601
--- /dev/null
+++ b/src/sas/sasgui/plottools/__init__.py
@@ -0,0 +1,3 @@
+import config
+from PlotPanel import PlotPanel
+from plottables import Data1D, Theory1D
diff --git a/src/sas/sasgui/plottools/arrow3d.py b/src/sas/sasgui/plottools/arrow3d.py
new file mode 100644
index 0000000..f3c5708
--- /dev/null
+++ b/src/sas/sasgui/plottools/arrow3d.py
@@ -0,0 +1,67 @@
+"""
+Module that draws multiple arrows in 3D coordinates
+"""
+
+from matplotlib.patches import FancyArrowPatch
+from mpl_toolkits.mplot3d import proj3d
+import time
+# from matplotlib.artist import allow_rasterization
+class Arrow3D(FancyArrowPatch):
+ """
+ Draw 3D arrow
+ """
+
+ def __init__(self, base, xs, ys, zs, colors, *args, **kwargs):
+ """
+ Init
+
+ :Params xs: [[x0, x0+dx0], [x1, x1+dx1], ...]
+ :Params ys: [[y0, y0+dy0], [y1, y1+dy1], ...]
+ :Params zs: [[z0, z0+dz0], [z1, z1+dz1], ...]
+ :Params colors: [[R0, G0, B0], [R1, G1, B1], ...]
+ where R, G, B ranges (0,1)
+ """
+ FancyArrowPatch.__init__(self, (0, 0), (0, 0), *args, **kwargs)
+ self.leftdown = False
+ self.t_click = 0
+ self._verts3d = xs, ys, zs
+ self.colors = colors
+ self.base = base
+
+ if base != None:
+ # To turn the updating off during dragging
+ base.canvas.mpl_connect('button_press_event', self.on_left_down)
+ base.canvas.mpl_connect('button_release_event', self.on_left_up)
+
+ def on_left_down(self, event):
+ """
+ Mouse left-down event
+ """
+ self.leftdown = True
+ self.t_click = time.time()
+
+ def on_left_up(self, event):
+ """
+ Mouse left up event
+ """
+ t_up = time.time() - self.t_click
+ # Avoid just clicking
+ if t_up > 0.1:
+ self.leftdown = False
+ self.base.canvas.draw()
+
+ def draw(self, renderer, rasterized=True):
+ """
+ Drawing actually happens here
+ """
+ # Draws only when the dragging finished
+ if self.leftdown:
+ return
+ xs3d, ys3d, zs3d = self._verts3d
+ for i in xrange(len(xs3d)):
+ xs, ys, _ = proj3d.proj_transform(xs3d[i], ys3d[i], zs3d[i], renderer.M)
+ self.set_positions((xs[0], ys[0]), (xs[1], ys[1]))
+ self.set_color(self.colors[i])
+ FancyArrowPatch.draw(self, renderer)
+
+ self.leftdown = False
diff --git a/src/sas/sasgui/plottools/binder.py b/src/sas/sasgui/plottools/binder.py
new file mode 100644
index 0000000..b5ea1f0
--- /dev/null
+++ b/src/sas/sasgui/plottools/binder.py
@@ -0,0 +1,396 @@
+"""
+Extension to MPL to support the binding of artists to key/mouse events.
+"""
+import sys
+import logging
+
+class Selection(object):
+ """
+ Store and compare selections.
+ """
+ # TODO: We need some way to check in prop matches, preferably
+ # TODO: without imposing structure on prop.
+
+ artist = None
+ prop = {}
+
+ def __init__(self, artist=None, prop={}):
+ self.artist, self.prop = artist, self.prop
+
+ def __eq__(self, other):
+ return self.artist is other.artist
+
+ def __ne__(self, other):
+ return self.artist is not other.artist
+
+ def __nonzero__(self):
+ return self.artist is not None
+
+
+class BindArtist(object):
+ """
+ """
+ # Track keyboard modifiers for events.
+ # TODO: Move keyboard modifier support into the backend. We cannot
+ # TODO: properly support it from outside the windowing system since there
+ # TODO: is no way to recognized whether shift is held down when the mouse
+ # TODO: first clicks on the the application window.
+ control, shift, alt, meta = False, False, False, False
+
+ # Track doubleclick
+ dclick_threshhold = 0.25
+ _last_button, _last_time = None, 0
+
+ # Mouse/keyboard events we can bind to
+ events = ['enter', 'leave', 'motion', 'click', 'dclick', 'drag', 'release',
+ 'scroll', 'key', 'keyup']
+ # TODO: Need our own event structure
+
+ def __init__(self, figure):
+ canvas = figure.canvas
+
+ # Link to keyboard/mouse
+ try:
+ self._connections = [
+ canvas.mpl_connect('motion_notify_event', self._onMotion),
+ canvas.mpl_connect('button_press_event', self._onClick),
+ canvas.mpl_connect('button_release_event', self._onRelease),
+ canvas.mpl_connect('key_press_event', self._onKey),
+ canvas.mpl_connect('key_release_event', self._onKeyRelease),
+ canvas.mpl_connect('scroll_event', self._onScroll)
+ ]
+ except:
+ print "bypassing scroll_event: wrong matplotlib version"
+ self._connections = [
+ canvas.mpl_connect('motion_notify_event', self._onMotion),
+ canvas.mpl_connect('button_press_event', self._onClick),
+ canvas.mpl_connect('button_release_event', self._onRelease),
+ canvas.mpl_connect('key_press_event', self._onKey),
+ canvas.mpl_connect('key_release_event', self._onKeyRelease),
+ ]
+
+ self._current = None
+ self._actions = {}
+ self.canvas = canvas
+ self.figure = figure
+ self.clearall()
+
+ def clear(self, *artists):
+ """
+ self.clear(h1,h2,...)
+ Remove connections for artists h1, h2, ...
+
+ Use clearall() to reset all connections.
+ """
+
+ for h in artists:
+ for a in self.events:
+ if h in self._actions[a]:
+ del self._actions[a][h]
+ if h in self._artists:
+ self._artists.remove(h)
+ if self._current.artist in artists:
+ self._current = Selection()
+ if self._hasclick.artist in artists:
+ self._hasclick = Selection()
+ if self._haskey.artist in artists:
+ self._haskey = Selection()
+
+ def clearall(self):
+ """
+ Clear connections to all artists.
+
+ Use clear(h1,h2,...) to reset specific artists.
+ """
+ # Don't monitor any actions
+ self._actions = {}
+ for action in self.events:
+ self._actions[action] = {}
+
+ # Need activity state
+ self._artists = []
+ self._current = Selection()
+ self._hasclick = Selection()
+ self._haskey = Selection()
+
+ def disconnect(self):
+ """
+ In case we need to disconnect from the canvas...
+ """
+ try:
+ for cid in self._connections: self.canvas.mpl_disconnect(cid)
+ except:
+ logging.error("Error disconnection canvas: %s" % sys.exc_value)
+ self._connections = []
+
+ def __del__(self):
+ self.disconnect()
+
+ def __call__(self, trigger, artist, action):
+ """Register a callback for an artist to a particular trigger event.
+
+ usage:
+ self.connect(eventname,artist,action)
+
+ where:
+ eventname is a string
+ artist is the particular graph object to respond to the event
+ action(event,**kw) is called when the event is triggered
+
+ The action callback is associated with particular artists.
+ Different artists will have different kwargs. See documentation
+ on the contains() method for each artist. One common properties
+ are ind for the index of the item under the cursor, which is
+ returned by Line2D and by collections.
+
+ The following events are supported:
+ enter: mouse cursor moves into the artist or to a new index
+ leave: mouse cursor leaves the artist
+ click: mouse button pressed on the artist
+ drag: mouse button pressed on the artist and cursor moves
+ release: mouse button released for the artist
+ key: key pressed when mouse is on the artist
+ keyrelease: key released for the artist
+
+ The event received by action has a number of attributes:
+ name is the event name which was triggered
+ artist is the object which triggered the event
+ x,y are the screen coordinates of the mouse
+ xdata,ydata are the graph coordinates of the mouse
+ button is the mouse button being pressed/released
+ key is the key being pressed/released
+ shift,control,alt,meta are flags which are true if the
+ corresponding key is pressed at the time of the event.
+ details is a dictionary of artist specific details, such as the
+ id(s) of the point that were clicked.
+
+ When receiving an event, first check the modifier state to be
+ sure it applies. E.g., the callback for 'press' might be:
+ if event.button == 1 and event.shift: process Shift-click
+
+ TODO: Only receive events with the correct modifiers (e.g., S-click,
+ TODO: or *-click for any modifiers).
+ TODO: Only receive button events for the correct button (e.g., click1
+ TODO: release3, or dclick* for any button)
+ TODO: Support virtual artist, so that and artist can be flagged as
+ TODO: having a tag list and receive the correct events
+ TODO: Support virtual events for binding to button-3 vs shift button-1
+ TODO: without changing callback code
+ TODO: Attach multiple callbacks to the same event?
+ TODO: Clean up interaction with toolbar modes
+ TODO: push/pushclear/pop context so that binding changes for
+ the duration
+ TODO: e.g., to support ? context sensitive help
+ """
+ # Check that the trigger is valid
+ if trigger not in self._actions:
+ raise ValueError, "%s invalid --- valid triggers are %s"\
+ % (trigger, ", ".join(self.events))
+
+ # Register the trigger callback
+ self._actions[trigger][artist] = action
+
+ # Maintain a list of all artists
+ if artist not in self._artists:
+ self._artists.append(artist)
+
+ def trigger(self, actor, action, ev):
+ """
+ Trigger a particular event for the artist. Fallback to axes,
+ to figure, and to 'all' if the event is not processed.
+ """
+ if action not in self.events:
+ raise ValueError, "Trigger expects " + ", ".join(self.events)
+
+ # Tag the event with modifiers
+ for mod in ('alt', 'control', 'shift', 'meta'):
+ setattr(ev, mod, getattr(self, mod))
+ setattr(ev, 'artist', None)
+ setattr(ev, 'action', action)
+ setattr(ev, 'prop', {})
+
+ # Fallback scheme. If the event does not return false, pass to parent.
+ processed = False
+ artist, prop = actor.artist, actor.prop
+ if artist in self._actions[action]:
+ ev.artist, ev.prop = artist, prop
+ processed = self._actions[action][artist](ev)
+ if not processed and ev.inaxes in self._actions[action]:
+ ev.artist, ev.prop = ev.inaxes, {}
+ processed = self._actions[action][ev.inaxes](ev)
+ if not processed and self.figure in self._actions[action]:
+ ev.artist, ev.prop = self.figure, {}
+ processed = self._actions[action][self.figure](ev)
+ if not processed and 'all' in self._actions[action]:
+ ev.artist, ev.prop = None, {}
+ processed = self._actions[action]['all'](ev)
+ return processed
+
+ def _find_current(self, event):
+ """
+ Find the artist who will receive the event. Only search
+ registered artists. All others are invisible to the mouse.
+ """
+ # TODO: sort by zorder of axes then by zorder within axes
+ self._artists.sort(cmp=lambda x, y: cmp(y.zorder, x.zorder))
+ found = Selection()
+ for artist in self._artists:
+ # TODO: should contains() return false if invisible?
+ if not artist.get_visible():
+ continue
+ # TODO: optimization - exclude artists not inaxes
+ try:
+ inside, prop = artist.contains(event)
+ except:
+ # Probably an old version of matplotlib
+ inside = False
+ if inside:
+ found.artist, found.prop = artist, prop
+ break
+
+ # TODO: how to check if prop is equal?
+ if found != self._current:
+ self.trigger(self._current, 'leave', event)
+ self.trigger(found, 'enter', event)
+ self._current = found
+
+ return found
+
+ def _onMotion(self, event):
+ """
+ Track enter/leave/motion through registered artists; all
+ other artists are invisible.
+ """
+ # # Can't kill double-click on motion since Windows produces
+ # # spurious motion events.
+ # self._last_button = None
+
+ # Dibs on the motion event for the clicked artist
+ if self._hasclick:
+ # Make sure the x,y data use the coordinate system of the
+ # artist rather than the default axes coordinates.
+
+ transform = self._hasclick.artist.get_transform()
+ # x,y = event.xdata,event.ydata
+ x, y = event.x, event.y
+ try:
+ if transform.__class__.__name__ == "IdentityTransform":
+ x, y = transform.inverted().transform((x, y))
+ else:
+ # # For interactive plottable apply transform is not working
+ # # don't know why maybe marker definition
+ # #transform ="CompositeGenericTransform" crash
+ pass
+ except:
+ # # CRUFT matplotlib-0.91 support
+ # # exception for transform ="CompositeGenericTransform"
+ # # crashes also here
+ x, y = transform.inverse_xy_tup((x, y))
+
+ # event.xdata, event.ydata = x, y
+ self.trigger(self._hasclick, 'drag', event)
+ else:
+ found = self._find_current(event)
+ self.trigger(found, 'motion', event)
+
+ def _onClick(self, event):
+ """
+ Process button click
+ """
+ import time
+
+ # Check for double-click
+ event_time = time.time()
+ if (event.button != self._last_button) or \
+ (event_time > self._last_time + self.dclick_threshhold):
+ action = 'click'
+ else:
+ action = 'dclick'
+ self._last_button = event.button
+ self._last_time = event_time
+
+ # If an artist is already dragging, feed any additional button
+ # presses to that artist.
+ # TODO: do we want to force a single button model on the user?
+ # TODO: that is, once a button is pressed, no other buttons
+ # TODO: can come through? I think this belongs in canvas, not here.
+ if self._hasclick:
+ found = self._hasclick
+ else:
+ found = self._find_current(event)
+ # print "button %d pressed"%event.button
+ # Note: it seems like if "click" returns False then hasclick should
+ # not be set. The problem is that there are two reasons it can
+ # return false: because there is no click action for this artist
+ # or because the click action returned false. A related problem
+ # is that click actions will go to the canvas if there is no click
+ # action for the artist, even if the artist has a drag. I'll leave
+ # it to future maintainers to sort out this problem. For now the
+ # recommendation is that users should define click if they have
+ # drag or release on the artist.
+ self.trigger(found, action, event)
+ self._hasclick = found
+
+ def _onDClick(self, event):
+ """
+ Process button double click
+ """
+ # If an artist is already dragging, feed any additional button
+ # presses to that artist.
+ # TODO: do we want to force a single button model on the user?
+ # TODO: that is, once a button is pressed, no other buttons
+ # TODO: can come through? I think this belongs in canvas, not here.
+ if self._hasclick:
+ found = self._hasclick
+ else:
+ found = self._find_current(event)
+ self.trigger(found, 'dclick', event)
+ self._hasclick = found
+
+ def _onRelease(self, event):
+ """
+ Process release release
+ """
+ self.trigger(self._hasclick, 'release', event)
+ self._hasclick = Selection()
+
+ def _onKey(self, event):
+ """
+ Process key click
+ """
+ # TODO: Do we really want keyboard focus separate from mouse focus?
+ # TODO: Do we need an explicit focus command for keyboard?
+ # TODO: Can we tab between items?
+ # TODO: How do unhandled events get propogated to axes, figure and
+ # TODO: finally to application? Do we need to implement a full tags
+ # TODO: architecture a la Tk?
+ # TODO: Do modifiers cause a grab? Does the artist see the modifiers?
+ if event.key in ('alt', 'meta', 'control', 'shift'):
+ setattr(self, event.key, True)
+ return
+
+ if self._haskey:
+ found = self._haskey
+ else:
+ found = self._find_current(event)
+ self.trigger(found, 'key', event)
+ self._haskey = found
+
+ def _onKeyRelease(self, event):
+ """
+ Process key release
+ """
+ if event.key in ('alt', 'meta', 'control', 'shift'):
+ setattr(self, event.key, False)
+ return
+
+ if self._haskey:
+ self.trigger(self._haskey, 'keyup', event)
+ self._haskey = Selection()
+
+ def _onScroll(self, event):
+ """
+ Process scroll event
+ """
+ found = self._find_current(event)
+ self.trigger(found, 'scroll', event)
diff --git a/src/sas/sasgui/plottools/canvas.py b/src/sas/sasgui/plottools/canvas.py
new file mode 100644
index 0000000..3ef31cb
--- /dev/null
+++ b/src/sas/sasgui/plottools/canvas.py
@@ -0,0 +1,269 @@
+"""
+This module implements a faster canvas for plotting.
+it ovewrites some matplolib methods to allow printing on sys.platform=='win32'
+"""
+import wx
+import sys
+import logging
+from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg
+from matplotlib.backend_bases import MouseEvent, RendererBase
+from matplotlib.backends.backend_wx import GraphicsContextWx, PrintoutWx
+from matplotlib.backends.backend_wx import RendererWx
+
+
+def draw_image(self, x, y, im, bbox, clippath=None, clippath_trans=None):
+ """
+ Draw the image instance into the current axes;
+
+ :param x: is the distance in pixels from the left hand side of the canvas.
+ :param y: the distance from the origin. That is, if origin is
+ upper, y is the distance from top. If origin is lower, y
+ is the distance from bottom
+ :param im: the class`matplotlib._image.Image` instance
+ :param bbox: a class `matplotlib.transforms.Bbox` instance for clipping, or
+ None
+
+ """
+ pass
+
+
+def select(self):
+ """
+ """
+ pass
+
+
+def unselect(self):
+ """
+ """
+ pass
+
+
+def OnPrintPage(self, page):
+ """
+ override printPage of matplotlib
+ """
+ self.canvas.draw()
+ dc = self.GetDC()
+ try:
+ (ppw, pph) = self.GetPPIPrinter() # printer's pixels per in
+ except:
+ ppw = 1
+ pph = 1
+ (pgw, _) = self.GetPageSizePixels() # page size in pixels
+ (dcw, _) = dc.GetSize()
+ (grw, _) = self.canvas.GetSizeTuple()
+
+ # save current figure dpi resolution and bg color,
+ # so that we can temporarily set them to the dpi of
+ # the printer, and the bg color to white
+ bgcolor = self.canvas.figure.get_facecolor()
+ fig_dpi = self.canvas.figure.dpi
+
+ # draw the bitmap, scaled appropriately
+ vscale = float(ppw) / fig_dpi
+
+ # set figure resolution,bg color for printer
+ self.canvas.figure.dpi = ppw
+ self.canvas.figure.set_facecolor('#FFFFFF')
+
+ renderer = RendererWx(self.canvas.bitmap, self.canvas.figure.dpi)
+ self.canvas.figure.draw(renderer)
+ self.canvas.bitmap.SetWidth(int(self.canvas.bitmap.GetWidth() * vscale))
+ self.canvas.bitmap.SetHeight(int(self.canvas.bitmap.GetHeight() * vscale))
+ self.canvas.draw()
+
+ # page may need additional scaling on preview
+ page_scale = 1.0
+ if self.IsPreview():
+ page_scale = float(dcw) / pgw
+
+ # get margin in pixels = (margin in in) * (pixels/in)
+ top_margin = int(self.margin * pph * page_scale)
+ left_margin = int(self.margin * ppw * page_scale)
+
+ # set scale so that width of output is self.width inches
+ # (assuming grw is size of graph in inches....)
+ user_scale = (self.width * fig_dpi * page_scale) / float(grw)
+ dc.SetDeviceOrigin(left_margin, top_margin)
+ dc.SetUserScale(user_scale, user_scale)
+
+ # this cute little number avoid API inconsistencies in wx
+ try:
+ dc.DrawBitmap(self.canvas.bitmap, 0, 0)
+ except:
+ try:
+ dc.DrawBitmap(self.canvas.bitmap, (0, 0))
+ except:
+ logging.error(sys.exc_value)
+
+ # restore original figure resolution
+ self.canvas.figure.set_facecolor(bgcolor)
+ # # used to be self.canvas.figure.dpi.set( fig_dpi)
+ self.canvas.figure.dpi = fig_dpi
+ self.canvas.draw()
+ return True
+
+GraphicsContextWx.select = select
+GraphicsContextWx.unselect = unselect
+PrintoutWx.OnPrintPage = OnPrintPage
+RendererBase.draw_image = draw_image
+
+
+class FigureCanvas(FigureCanvasWxAgg):
+ """
+ Add features to the wx agg canvas for better support of AUI and
+ faster plotting.
+ """
+
+ def __init__(self, *args, **kw):
+ super(FigureCanvas, self).__init__(*args, **kw)
+ self._isRendered = False
+
+ # Create an timer for handling draw_idle requests
+ # If there are events pending when the timer is
+ # complete, reset the timer and continue. The
+ # alternative approach, binding to wx.EVT_IDLE,
+ # doesn't behave as nicely.
+ self.idletimer = wx.CallLater(1, self._onDrawIdle)
+ # panel information
+ self.panel = None
+ self.resizing = False
+ self.xaxis = None
+ self.yaxis = None
+ self.ndraw = 0
+ # Support for mouse wheel
+ self.Bind(wx.EVT_MOUSEWHEEL, self._onMouseWheel)
+
+ def set_panel(self, panel):
+ """
+ Set axes
+ """
+ # set panel
+ self.panel = panel
+ # set axes
+ self.xaxis = panel.subplot.xaxis
+ self.yaxis = panel.subplot.yaxis
+
+ def draw_idle(self, *args, **kwargs):
+ """
+ Render after a delay if no other render requests have been made.
+ """
+ self.panel.subplot.grid(self.panel.grid_on)
+ if self.panel.legend != None and self.panel.legend_pos_loc:
+ self.panel.legend._loc = self.panel.legend_pos_loc
+ self.idletimer.Restart(5, *args, **kwargs) # Delay by 5 ms
+
+ def _onDrawIdle(self, *args, **kwargs):
+ """
+ """
+ if False and wx.GetApp().Pending():
+ self.idletimer.Restart(5, *args, **kwargs)
+ else:
+ # Draw plot, changes resizing too
+ self.draw(*args, **kwargs)
+ self.resizing = False
+
+ def _get_axes_switch(self):
+ """
+ """
+ # Check resize whether or not True
+ if self.panel.dimension == 3:
+ return
+
+ # This is for fast response when plot is being resized
+ if not self.resizing:
+ self.xaxis.set_visible(True)
+ self.yaxis.set_visible(True)
+ self.panel.schedule_full_draw('del')
+ else:
+ self.xaxis.set_visible(False)
+ self.yaxis.set_visible(False)
+ self.panel.schedule_full_draw('append')
+ # set the resizing back to default= False
+ self.set_resizing(False)
+
+ def set_resizing(self, resizing=False):
+ """
+ Setting the resizing
+ """
+ self.resizing = resizing
+ self.panel.set_resizing(False)
+
+ def draw(self, drawDC=None):
+ """
+ Render the figure using agg.
+ """
+ # Only draw if window is shown, otherwise graph will bleed through
+ # on the notebook style AUI widgets.
+ # raise
+ fig = FigureCanvasWxAgg
+ if self.IsShownOnScreen() and self.ndraw != 1:
+ self._isRendered = True
+ self._get_axes_switch()
+ # import time
+ # st = time.time()
+ try:
+ fig.draw(self)
+ except ValueError:
+ logging.error(sys.exc_value)
+ else:
+ self._isRendered = False
+ if self.ndraw <= 1:
+ self.ndraw += 1
+
+ def _onMouseWheel(self, evt):
+ """Translate mouse wheel events into matplotlib events"""
+ # Determine mouse location
+ _, h = self.figure.canvas.get_width_height()
+ x = evt.GetX()
+ y = h - evt.GetY()
+
+ # Convert delta/rotation/rate into a floating point step size
+ delta = evt.GetWheelDelta()
+ rotation = evt.GetWheelRotation()
+ rate = evt.GetLinesPerAction()
+ # print "delta,rotation,rate",delta,rotation,rate
+ step = rate * float(rotation) / delta
+
+ # Convert to mpl event
+ evt.Skip()
+ self.scroll_event(x, y, step, guiEvent=evt)
+
+ def scroll_event(self, x, y, step=1, guiEvent=None):
+ """
+ Backend derived classes should call this function on any
+ scroll wheel event. x,y are the canvas coords: 0,0 is lower,
+ left. button and key are as defined in MouseEvent
+ """
+ button = 'up' if step >= 0 else 'down'
+ self._button = button
+ s = 'scroll_event'
+ event = MouseEvent(s, self, x, y, button, self._key, guiEvent=guiEvent)
+ setattr(event, 'step', step)
+ self.callbacks.process(s, event)
+ if step != 0:
+ self.panel.is_zoomed = True
+
+ def _onRightButtonDown(self, evt):
+ """
+ Overload the right button down call back to avoid a problem
+ with the context menu over matplotlib plots on linux.
+
+ :TODO: Investigate what the root cause of the problem is.
+
+ """
+ if sys.platform == 'linux2' or self.panel.dimension == 3:
+ evt.Skip()
+ else:
+ FigureCanvasWxAgg._onRightButtonDown(self, evt)
+ # This solves the focusing on rightclick.
+ # Todo: better design
+ self.panel.parent.set_plot_unfocus()
+ self.panel.on_set_focus(None)
+ return
+
+ # CRUFT: wx 3.0.0.0 on OS X doesn't release the mouse on leaving window
+ def _onLeave(self, evt):
+ if self.HasCapture(): self.ReleaseMouse()
+ super(FigureCanvas, self)._onLeave(evt)
diff --git a/src/sas/sasgui/plottools/config.py b/src/sas/sasgui/plottools/config.py
new file mode 100644
index 0000000..51c2a66
--- /dev/null
+++ b/src/sas/sasgui/plottools/config.py
@@ -0,0 +1,67 @@
+# This program is public domain
+"""
+Configure plotter for plottools.
+
+This must be imported first in __init__.py for plottools.
+
+If your application uses matplotlib outside plottools, then
+please do the following at the start of your application:
+
+ # Select matplotlib version and backend
+ import sas.sasgui.plottools.config
+
+Note that plottools requires particular versions of matplotlib
+and a particular backend. As of this writing it is the WXAgg
+backend for matplotlib>=0.98.
+
+The plottools package uses pkg_resources if available to select
+the correct version of matplotlib. If you need multiple matplotlib
+versions in your path, be sure to use "easy_install -m" for all
+of them. If a version is installed without "-m" that does not
+meet the requirements, then pkg_resources.require() will fail,
+even if you have installed a suitable version with "-m". In this
+case you will need to fix up your site-packages directory,
+probably by removing site-packages/matplotlib and the associated
+egg file for that version, and reinstalling with "-m". You may
+also need to edit site-packages/easy-install.pth.
+"""
+import sys
+
+__all__ = []
+
+plot_version = "0.98"
+plot_backend = "WXAgg"
+
+# Sort out matplotlib version
+import matplotlib
+try:
+ import pkg_resources
+ pkg_resources.require("matplotlib>=" + plot_version)
+except:
+ from distutils.version import LooseVersion as Version
+ if Version(matplotlib.__version__) < Version(plot_version):
+ msg = "Matplotlib version must be %s or newer" % (plot_version, )
+ raise ImportError(msg)
+
+# Sort out matplotlib backend
+#import matplotlib
+if 'matplotlib.backends' not in sys.modules:
+ # if no backend yet, be sure to use the correct one
+ matplotlib.use(plot_backend)
+elif matplotlib.get_backend() != plot_backend:
+ # if a backend has already been selected, make sure it is the correct one.
+ raise ImportError("Matplotlib not using backend " + plot_backend)
+
+# set global plot style
+param = 'legend.handletextpad'
+if param not in matplotlib.rcParams: param = 'legend.handletextsep'
+matplotlib.rcParams[param] = 0.05
+matplotlib.rcParams['legend.numpoints'] = 1
+
+# this should happen after initial matplotlib configuration
+from .toolbar import NavigationToolBar
+from matplotlib.backends import backend_wxagg
+backend_wxagg.NavigationToolbar2WxAgg = NavigationToolBar
+
+# CRUFT: bumps 0.7.5.6 and older uses wrong toolbar
+backend_wxagg.NavigationToolbar2Wx = NavigationToolBar
diff --git a/src/sas/sasgui/plottools/convert_units.py b/src/sas/sasgui/plottools/convert_units.py
new file mode 100644
index 0000000..e105ee7
--- /dev/null
+++ b/src/sas/sasgui/plottools/convert_units.py
@@ -0,0 +1,78 @@
+"""
+ Convert units to strings that can be displayed
+ This is a cleaned up version of unitConverter.py
+"""
+import re
+import string
+
+def convert_unit(power, unit):
+ """
+ Convert units to strings that can be displayed
+ """
+ if power != 0:
+ if string.find(unit, "^") != -1: # if the unit contains a powerer ^
+ toks = re.split("\^", unit)
+ if string.find(toks[0], "/") != -1 or \
+ string.find(toks[0], "-") != -1:
+ if power == 1:
+ unit = unit
+ else:
+ unit = "(" + unit + ")" + "^{" + str(power) + "}"
+ else:
+ if string.find(toks[1], "{") != -1: # if found a {
+ find_power_toks = re.split("{", toks[1])
+ if string.find(find_power_toks[1], "}") != -1: # found }
+ unit_toks = re.split("}", find_power_toks[1])
+ if string.find(unit_toks[0], ".") != -1:
+ powerer = float(unit_toks[0]) * power
+ elif string.find(unit_toks[0], "/") != -1:
+ power_toks = re.split("/", unit_toks[0])
+ powerer = power * int(power_toks[0])\
+ / int(power_toks[1])
+ else:
+ powerer = int(unit_toks[0]) * power
+
+ if powerer == 1.0:
+ unit = toks[0]
+ elif powerer == 0.5:
+ unit = toks[0] + "^{1/2}"
+ elif powerer == -0.5:
+ unit = toks[0] + "^{-1/2}"
+ else:
+ unit = toks[0] + "^{" + str(powerer) + "}"
+ else:
+ raise ValueError, "missing } in unit expression"
+ else: # no powerer
+ if power != 1:
+ unit = "(" + unit + ")" + "^{" + str(power) + "}"
+ else:
+ raise ValueError, "empty unit ,enter a powerer different from zero"
+ return unit
+
+
+if __name__ == "__main__":
+ # pylint: disable=invalid-name
+ # Input -> new scale -> Output
+ unit1 = "A^{-1} " # x A^{-1}
+ unit2 = "A" # x A
+ unit3 = "A" # x^2 A^{2}
+ unit4 = "A " # 1/x A^{-1}
+ unit5 = "A^{0.5} " # x^2 A
+ unit9 = "m^{1/2}" # x^2 m
+
+ # If you don't recognize the pattern, give up
+ # and just put some parentheses around the unit and write the transoformation:
+
+ unit6 = "m/s" # x^2 (m/s)^{2}
+ unit7 = "m/s^{2}" # 1/x (m/s^{2})^{-1}
+ unit8 = "m/s^{4}" # x^2 (m/s^{4})^{2}
+
+ print "this unit1 %s ,its powerer %s , and value %s" % (unit1, 1, convert_unit(1, unit1))
+ print "this unit2 %s ,its powerer %s , and value %s" % (unit2, 1, convert_unit(1, unit2))
+ print "this unit3 %s ,its powerer %s , and value %s" % (unit3, 2, convert_unit(2, unit3))
+ print "this unit4 %s ,its powerer %s , and value %s" % (unit4, -1, convert_unit(-1, unit4))
+ print "this unit5 %s ,its powerer %s , and value %s" % (unit5, 2, convert_unit(2, unit5))
+ print "this unit6 %s ,its powerer %s , and value %s" % (unit6, 2, convert_unit(2, unit6))
+ print "this unit7 %s ,its powerer %s , and value %s" % (unit7, -1, convert_unit(-1, unit7))
+ print "this unit8 %s ,its powerer %s , and value %s" % (unit8, 2, convert_unit(2, unit8))
+ print "this unit9 %s ,its powerer %s , and value %s" % (unit9, 2, convert_unit(2, unit9))
diff --git a/src/sas/sasgui/plottools/fitDialog.py b/src/sas/sasgui/plottools/fitDialog.py
new file mode 100644
index 0000000..c0a7af1
--- /dev/null
+++ b/src/sas/sasgui/plottools/fitDialog.py
@@ -0,0 +1,770 @@
+import wx
+from plottables import Theory1D
+import math
+import numpy
+import fittings
+import transform
+import sys
+
+# Linear fit panel size
+if sys.platform.count("win32") > 0:
+ FONT_VARIANT = 0
+ PNL_WIDTH = 450
+ PNL_HEIGHT = 500
+else:
+ FONT_VARIANT = 1
+ PNL_WIDTH = 500
+ PNL_HEIGHT = 500
+RG_ON = True
+
+def format_number(value, high=False):
+ """
+ Return a float in a standardized, human-readable formatted string.
+ This is used to output readable (e.g. x.xxxe-y) values to the panel.
+ """
+ try:
+ value = float(value)
+ except:
+ output = "NaN"
+ return output.lstrip().rstrip()
+
+ if high:
+ output = "%-6.4g" % value
+
+ else:
+ output = "%-5.3g" % value
+ return output.lstrip().rstrip()
+
+
+class LinearFit(wx.Dialog):
+ def __init__(self, parent, plottable, push_data, transform, title):
+ """
+ Dialog window pops- up when select Linear fit on Context menu
+ Displays fitting parameters. This class handles the linearized
+ fitting and derives and displays specialized output parameters based
+ on the scale choice of the plot calling it.
+
+ :note1: The fitting is currently a bit convoluted as besides using
+ plottools.transform.py to handle all the conversions, it uses
+ LineModel to define a linear model and calculate a number of
+ things like residuals etc as well as the function itself given an x
+ value. It also uses fittings.py to set up the defined LineModel for
+ fitting and then send it to the SciPy NLLSQ method. As these are by
+ definition "linear nodels" it would make more sense to just call
+ a linear solver such as scipy.stats.linregress or bumps.wsolve directly.
+ This would considerably simplify the code and remove the need I think
+ for LineModel.py and possibly fittins.py altogether. -PDB 7/10/16
+
+ :note2: The linearized fits do not take resolution into account. This
+ means that for poor resolution such as slit smearing the answers will
+ be completely wrong --- Rg would be OK but I0 would be orders of
+ magnitude off. Eventually we should fix this to account properly for
+ resolution. -PDB 7/10/16
+ """
+ wx.Dialog.__init__(self, parent, title=title,
+ size=(PNL_WIDTH, 350))
+ self.parent = parent
+ self.transform = transform
+ # Font
+ self.SetWindowVariant(variant=FONT_VARIANT)
+ # Registered owner for close event
+ self._registered_close = None
+ # dialog panel self call function to plot the fitting function
+ # calls the calling PlotPanel method onFitDisplay
+ self.push_data = push_data
+ # dialog self plottable - basically the plot we are working with
+ # passed in by the caller
+ self.plottable = plottable
+ # is this a Guinier fit
+ self.rg_on = False
+ # Receive transformations of x and y - basically transform is passed
+ # as caller method that returns its current value for these
+ self.xLabel, self.yLabel, self.Avalue, self.Bvalue, \
+ self.ErrAvalue, self.ErrBvalue, self.Chivalue = self.transform()
+
+ # Now set up the dialog interface
+ self.layout()
+ # Receives the type of model for the fitting
+ from LineModel import LineModel
+ self.model = LineModel()
+ # Display the fittings values
+ self.default_A = self.model.getParam('A')
+ self.default_B = self.model.getParam('B')
+ self.cstA = fittings.Parameter(self.model, 'A', self.default_A)
+ self.cstB = fittings.Parameter(self.model, 'B', self.default_B)
+
+ # Set default value of parameter in the dialog panel
+ if self.Avalue == None:
+ self.tcA.SetValue(format_number(self.default_A))
+ else:
+ self.tcA.SetLabel(format_number(self.Avalue))
+ if self.Bvalue == None:
+ self.tcB.SetValue(format_number(self.default_B))
+ else:
+ self.tcB.SetLabel(format_number(self.Bvalue))
+ if self.ErrAvalue == None:
+ self.tcErrA.SetLabel(format_number(0.0))
+ else:
+ self.tcErrA.SetLabel(format_number(self.ErrAvalue))
+ if self.ErrBvalue == None:
+ self.tcErrB.SetLabel(format_number(0.0))
+ else:
+ self.tcErrB.SetLabel(format_number(self.ErrBvalue))
+ if self.Chivalue == None:
+ self.tcChi.SetLabel(format_number(0.0))
+ else:
+ self.tcChi.SetLabel(format_number(self.Chivalue))
+ if self.plottable.x != []:
+ # store the values of View in self.x,self.y,self.dx,self.dy
+ self.x, self.y, self.dx, \
+ self.dy = self.plottable.returnValuesOfView()
+ try:
+ self.mini = self.floatForwardTransform(min(self.x))
+ except:
+ self.mini = "Invalid"
+ try:
+ self.maxi = self.floatForwardTransform(max(self.x))
+ except:
+ self.maxi = "Invalid"
+
+ self.initXmin.SetValue(format_number(min(self.plottable.x)))
+ self.initXmax.SetValue(format_number(max(self.plottable.x)))
+ self.mini = min(self.x)
+ self.maxi = max(self.x)
+ self.xminFit.SetValue(format_number(self.mini))
+ self.xmaxFit.SetValue(format_number(self.maxi))
+
+ def layout(self):
+ """
+ Sets up the panel layout for the linear fit including all the
+ labels, text entry boxes, and buttons.
+
+ """
+
+ # set up sizers first.
+ # vbox is the panel sizer and is a vertical sizer
+ # The first element of the panel is sizer which is a gridbagsizer
+ # and contains most of the text fields
+ # this is followed by a line separator added to vbox
+ # and finally the sizer_button (a horizontal sizer) adds the buttons
+ vbox = wx.BoxSizer(wx.VERTICAL)
+ sizer = wx.GridBagSizer(5, 5)
+ sizer_button = wx.BoxSizer(wx.HORIZONTAL)
+
+ #size of string boxes in pixels
+ _BOX_WIDTH = 100
+ _BOX_HEIGHT = 20
+ #now set up all the text fields
+ self.tcA = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ self.tcA.SetToolTipString("Fit value for the slope parameter.")
+ self.tcErrA = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ self.tcErrA.SetToolTipString("Error on the slope parameter.")
+ self.tcB = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ self.tcA.SetToolTipString("Fit value for the constant parameter.")
+ self.tcErrB = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ self.tcErrB.SetToolTipString("Error on the constant parameter.")
+ self.tcChi = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ self.tcChi.SetToolTipString("Chi^2 over degrees of freedom.")
+ self.xminFit = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ msg = "Enter the minimum value on "
+ msg += "the x-axis to be included in the fit."
+ self.xminFit.SetToolTipString(msg)
+ self.xmaxFit = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ msg = "Enter the maximum value on "
+ msg += " the x-axis to be included in the fit."
+ self.xmaxFit.SetToolTipString(msg)
+ self.initXmin = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ msg = "Minimum value on the x-axis for the plotted data."
+ self.initXmin.SetToolTipString(msg)
+ self.initXmax = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
+ msg = "Maximum value on the x-axis for the plotted data."
+ self.initXmax.SetToolTipString(msg)
+
+ # Make the info box not editable
+ # _BACKGROUND_COLOR = '#ffdf85'
+ _BACKGROUND_COLOR = self.GetBackgroundColour()
+ self.initXmin.SetEditable(False)
+ self.initXmin.SetBackgroundColour(_BACKGROUND_COLOR)
+ self.initXmax.SetEditable(False)
+ self.initXmax.SetBackgroundColour(_BACKGROUND_COLOR)
+
+ #set some flags for specific types of fits like Guinier (Rg) and
+ #Porod (bg) -- this will determine WHAT boxes show up in the
+ #sizer layout and depends on the active axis transform
+ self.bg_on = False
+ if RG_ON:
+ if (self.yLabel == "ln(y)" or self.yLabel == "ln(y*x)") and \
+ (self.xLabel == "x^(2)"):
+ self.rg_on = True
+ if (self.xLabel == "x^(4)") and (self.yLabel == "y*x^(4)"):
+ self.bg_on = True
+
+ # Finally set up static text strings
+ warning = "WARNING! Resolution is NOT accounted for. \n"
+ warning += "Thus slit smeared data will give very wrong answers!"
+ self.textwarn = wx.StaticText(self, -1, warning)
+ self.textwarn.SetForegroundColour(wx.RED)
+ explanation = "Perform fit for y(x) = ax + b \n"
+ if self.bg_on:
+ param_a = 'Background (= Parameter a)'
+ else:
+ param_a = 'Parameter a'
+
+
+ #Now set this all up in the GridBagSizer sizer
+ ix = 0
+ iy = 0
+ sizer.Add(self.textwarn, (iy, ix),
+ (2, 3), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 2
+ sizer.Add(wx.StaticText(self, -1, explanation), (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ iy += 1
+ sizer.Add(wx.StaticText(self, -1, param_a), (iy, ix),
+ (1, 1), wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.tcA, (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(wx.StaticText(self, -1, '+/-'),
+ (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(self.tcErrA, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer.Add(wx.StaticText(self, -1, 'Parameter b'), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.tcB, (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(wx.StaticText(self, -1, '+/-'), (iy, ix),
+ (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(self.tcErrB, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer.Add(wx.StaticText(self, -1, 'Chi2/dof'), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.tcChi, (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 2
+ ix = 1
+ sizer.Add(wx.StaticText(self, -1, 'Min'), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ sizer.Add(wx.StaticText(self, -1, 'Max'), (iy, ix),
+ (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ iy += 1
+ ix = 0
+ sizer.Add(wx.StaticText(self, -1, 'Maximum range (linear scale)'),
+ (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.initXmin, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ sizer.Add(self.initXmax, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ iy += 1
+ ix = 0
+ sizer.Add(wx.StaticText(self, -1, 'Fit range of ' + self.xLabel),
+ (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.xminFit, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 2
+ sizer.Add(self.xmaxFit, (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ if self.rg_on:
+ self.SetSize((PNL_WIDTH, PNL_HEIGHT))
+ I0_stxt = wx.StaticText(self, -1, 'I(q=0)')
+ self.I0_tctr = wx.TextCtrl(self, -1, '')
+ self.I0_tctr.SetEditable(False)
+ self.I0_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ self.I0err_tctr = wx.TextCtrl(self, -1, '')
+ self.I0err_tctr.SetEditable(False)
+ self.I0err_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ Rg_stxt = wx.StaticText(self, -1, 'Rg [A]')
+ Rg_stxt.Show(self.yLabel == "ln(y)")
+ self.Rg_tctr = wx.TextCtrl(self, -1, '')
+ self.Rg_tctr.SetEditable(False)
+ self.Rg_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ self.Rg_tctr.Show(self.yLabel == "ln(y)")
+ self.Rgerr_tctr = wx.TextCtrl(self, -1, '')
+ self.Rgerr_tctr.SetEditable(False)
+ self.Rgerr_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ self.Rgerr_tctr.Show(self.yLabel == "ln(y)")
+ self.Rgerr_pm = wx.StaticText(self, -1, '+/-')
+ self.Rgerr_pm.Show(self.yLabel == "ln(y)")
+ Diameter_stxt = wx.StaticText(self, -1, 'Rod Diameter [A]')
+ Diameter_stxt.Show(self.yLabel == "ln(y*x)")
+ self.Diameter_tctr = wx.TextCtrl(self, -1, '')
+ self.Diameter_tctr.SetEditable(False)
+ self.Diameter_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ self.Diameter_tctr.Show(self.yLabel == "ln(y*x)")
+ self.Diameter_pm = wx.StaticText(self, -1, '+/-')
+ self.Diameter_pm.Show(self.yLabel == "ln(y*x)")
+ self.Diametererr_tctr = wx.TextCtrl(self, -1, '')
+ self.Diametererr_tctr.SetEditable(False)
+ self.Diametererr_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ self.Diametererr_tctr.Show(self.yLabel == "ln(y*x)")
+ RgQmin_stxt = wx.StaticText(self, -1, 'Rg*Qmin')
+ self.RgQmin_tctr = wx.TextCtrl(self, -1, '')
+ self.RgQmin_tctr.SetEditable(False)
+ self.RgQmin_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+ RgQmax_stxt = wx.StaticText(self, -1, 'Rg*Qmax')
+ self.RgQmax_tctr = wx.TextCtrl(self, -1, '')
+ self.RgQmax_tctr.SetEditable(False)
+ self.RgQmax_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
+
+ iy += 2
+ ix = 0
+ sizer.Add(I0_stxt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.I0_tctr, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(wx.StaticText(self, -1, '+/-'), (iy, ix),
+ (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(self.I0err_tctr, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ iy += 1
+ ix = 0
+ sizer.Add(Rg_stxt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.Rg_tctr, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ sizer.Add(self.Rgerr_pm, (iy, ix),
+ (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(self.Rgerr_tctr, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer.Add(Diameter_stxt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.Diameter_tctr, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ ix += 1
+ sizer.Add(self.Diameter_pm, (iy, ix),
+ (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ ix += 1
+ sizer.Add(self.Diametererr_tctr, (iy, ix), (1, 1),
+ wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer.Add(RgQmin_stxt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.RgQmin_tctr, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ iy += 1
+ ix = 0
+ sizer.Add(RgQmax_stxt, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
+ ix += 1
+ sizer.Add(self.RgQmax_tctr, (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ #Now add some space before the separation line
+ iy += 1
+ ix = 0
+ sizer.Add((20,20), (iy, ix), (1, 1),
+ wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+
+ # Buttons on the bottom
+ self.btFit = wx.Button(self, -1, 'Fit')
+ self.btFit.Bind(wx.EVT_BUTTON, self._onFit)
+ self.btFit.SetToolTipString("Perform fit.")
+ self.btClose = wx.Button(self, wx.ID_CANCEL, 'Close')
+ self.btClose.Bind(wx.EVT_BUTTON, self._on_close)
+ sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
+ sizer_button.Add(self.btFit, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+ sizer_button.Add(self.btClose, 0,
+ wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
+
+ vbox.Add(sizer)
+ self.static_line_1 = wx.StaticLine(self, -1)
+ vbox.Add(self.static_line_1, 0, wx.EXPAND, 0)
+ vbox.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
+
+ # panel.SetSizer(sizer)
+ self.SetSizer(vbox)
+ self.Centre()
+
+ def register_close(self, owner):
+ """
+ Method to register the close event to a parent
+ window that needs notification when the dialog
+ is closed
+
+ :param owner: parent window
+
+ """
+ self._registered_close = owner
+
+ def _on_close(self, event):
+ """
+ Close event.
+ Notify registered owner if available.
+ """
+ event.Skip()
+ if self._registered_close is not None:
+ self._registered_close()
+
+ def _onFit(self, event):
+ """
+ Performs the fit. Receive an event when clicking on
+ the button Fit.Computes chisqr ,
+ A and B parameters of the best linear fit y=Ax +B
+ Push a plottable to the caller
+ """
+ tempx = []
+ tempy = []
+ tempdy = []
+
+ # Check if View contains a x array .we online fit when x exits
+ # makes transformation for y as a line to fit
+ if self.x != []:
+ if self.checkFitValues(self.xminFit) == True:
+ # Check if the field of Fit Dialog contain values
+ # and use the x max and min of the user
+ if not self._checkVal(self.xminFit, self.xmaxFit):
+ return
+ xminView = float(self.xminFit.GetValue())
+ xmaxView = float(self.xmaxFit.GetValue())
+ xmin = xminView
+ xmax = xmaxView
+ # Set the qmin and qmax in the panel that matches the
+ # transformed min and max
+ self.initXmin.SetValue(format_number(self.floatInvTransform(xmin)))
+ self.initXmax.SetValue(format_number(self.floatInvTransform(xmax)))
+ # Store the transformed values of view x, y,dy
+ # in variables before the fit
+ if self.yLabel.lower() == "log10(y)":
+ if self.xLabel.lower() == "log10(x)":
+ for i in range(len(self.x)):
+ if self.x[i] >= math.log10(xmin):
+ tempy.append(math.log10(self.y[i]))
+ tempdy.append(transform.errToLogX(self.y[i], 0, self.dy[i], 0))
+ else:
+ for i in range(len(self.y)):
+ tempy.append(math.log10(self.y[i]))
+ tempdy.append(transform.errToLogX(self.y[i], 0, self.dy[i], 0))
+ else:
+ tempy = self.y
+ tempdy = self.dy
+
+ if self.xLabel.lower() == "log10(x)":
+ for x_i in self.x:
+ if x_i >= math.log10(xmin):
+ tempx.append(math.log10(x_i))
+ else:
+ tempx = self.x
+
+ # Find the fitting parameters
+ # Always use the same defaults, so that fit history
+ # doesn't play a role!
+ self.cstA = fittings.Parameter(self.model, 'A', self.default_A)
+ self.cstB = fittings.Parameter(self.model, 'B', self.default_B)
+
+ if self.xLabel.lower() == "log10(x)":
+ tempdy = numpy.asarray(tempdy)
+ tempdy[tempdy == 0] = 1
+ chisqr, out, cov = fittings.sasfit(self.model,
+ [self.cstA, self.cstB],
+ tempx, tempy,
+ tempdy,
+ math.log10(xmin),
+ math.log10(xmax))
+ else:
+ tempdy = numpy.asarray(tempdy)
+ tempdy[tempdy == 0] = 1
+ chisqr, out, cov = fittings.sasfit(self.model,
+ [self.cstA, self.cstB],
+ tempx, tempy, tempdy,
+ xminView, xmaxView)
+ # Use chi2/dof
+ if len(tempx) > 0:
+ chisqr = chisqr / len(tempx)
+
+ # Check that cov and out are iterable before displaying them
+ if cov == None:
+ errA = 0.0
+ errB = 0.0
+ else:
+ errA = math.sqrt(cov[0][0])
+ errB = math.sqrt(cov[1][1])
+ if out == None:
+ cstA = 0.0
+ cstB = 0.0
+ else:
+ cstA = out[0]
+ cstB = out[1]
+ # Reset model with the right values of A and B
+ self.model.setParam('A', float(cstA))
+ self.model.setParam('B', float(cstB))
+
+ tempx = []
+ tempy = []
+ y_model = 0.0
+ # load tempy with the minimum transformation
+
+ if self.xLabel == "log10(x)":
+ y_model = self.model.run(math.log10(xmin))
+ tempx.append(xmin)
+ else:
+ y_model = self.model.run(xminView)
+ tempx.append(xminView)
+
+ if self.yLabel == "log10(y)":
+ tempy.append(math.pow(10, y_model))
+ else:
+ tempy.append(y_model)
+
+ # load tempy with the maximum transformation
+ if self.xLabel == "log10(x)":
+ y_model = self.model.run(math.log10(xmax))
+ tempx.append(xmax)
+ else:
+ y_model = self.model.run(xmaxView)
+ tempx.append(xmaxView)
+
+ if self.yLabel == "log10(y)":
+ tempy.append(math.pow(10, y_model))
+ else:
+ tempy.append(y_model)
+ # Set the fit parameter display when FitDialog is opened again
+ self.Avalue = cstA
+ self.Bvalue = cstB
+ self.ErrAvalue = errA
+ self.ErrBvalue = errB
+ self.Chivalue = chisqr
+ self.push_data(tempx, tempy, xminView, xmaxView,
+ xmin, xmax, self._ongetValues())
+
+ # Display the fitting value on the Fit Dialog
+ self._onsetValues(cstA, cstB, errA, errB, chisqr)
+
+ def _onsetValues(self, cstA, cstB, errA, errB, Chi):
+ """
+ Display the value on fit Dialog
+ """
+ rg = None
+ _diam = None
+ self.tcA.SetValue(format_number(cstA))
+ self.tcB.SetValue(format_number(cstB))
+ self.tcErrA.SetValue(format_number(errA))
+ self.tcErrB.SetValue(format_number(errB))
+ self.tcChi.SetValue(format_number(Chi))
+ if self.rg_on:
+ if self.Rg_tctr.IsShown():
+ rg = numpy.sqrt(-3 * float(cstA))
+ value = format_number(rg)
+ self.Rg_tctr.SetValue(value)
+ if self.I0_tctr.IsShown():
+ val = numpy.exp(cstB)
+ self.I0_tctr.SetValue(format_number(val))
+ if self.Rgerr_tctr.IsShown():
+ if rg != None and rg != 0:
+ value = format_number(3 * float(errA) / (2 * rg))
+ else:
+ value = ''
+ self.Rgerr_tctr.SetValue(value)
+ if self.I0err_tctr.IsShown():
+ val = numpy.abs(numpy.exp(cstB) * errB)
+ self.I0err_tctr.SetValue(format_number(val))
+ if self.Diameter_tctr.IsShown():
+ rg = numpy.sqrt(-2 * float(cstA))
+ _diam = 4 * numpy.sqrt(-float(cstA))
+ value = format_number(_diam)
+ self.Diameter_tctr.SetValue(value)
+ if self.Diametererr_tctr.IsShown():
+ if rg != None and rg != 0:
+ value = format_number(8 * float(errA) / _diam)
+ else:
+ value = ''
+ self.Diametererr_tctr.SetValue(value)
+ if self.RgQmin_tctr.IsShown():
+ value = format_number(rg * self.floatInvTransform(self.mini))
+ self.RgQmin_tctr.SetValue(value)
+ if self.RgQmax_tctr.IsShown():
+ value = format_number(rg * self.floatInvTransform(self.maxi))
+ self.RgQmax_tctr.SetValue(value)
+
+ def _ongetValues(self):
+ """
+ Display the value on fit Dialog
+ """
+ return self.Avalue, self.Bvalue, self.ErrAvalue, \
+ self.ErrBvalue, self.Chivalue
+
+ def _checkVal(self, usermin, usermax):
+ """
+ Ensure that fields parameter contains a min and a max value
+ within x min and x max range
+ """
+ self.mini = float(self.xminFit.GetValue())
+ self.maxi = float(self.xmaxFit.GetValue())
+ flag = True
+ try:
+ mini = float(usermin.GetValue())
+ maxi = float(usermax.GetValue())
+ if mini < maxi:
+ usermin.SetBackgroundColour(wx.WHITE)
+ usermin.Refresh()
+ else:
+ flag = False
+ usermin.SetBackgroundColour("pink")
+ usermin.Refresh()
+ except:
+ # Check for possible values entered
+ flag = False
+ usermin.SetBackgroundColour("pink")
+ usermin.Refresh()
+
+ return flag
+
+ def floatForwardTransform(self, x):
+ """
+ transform a float.
+ """
+ # TODO: refactor this with proper object-oriented design
+ # This code stinks.
+ if self.xLabel == "x":
+ return transform.toX(x)
+ if self.xLabel == "x^(2)":
+ return transform.toX2(x)
+ if self.xLabel == "ln(x)":
+ return transform.toLogX(x)
+ if self.xLabel == "log10(x)":
+ return math.log10(x)
+
+ def floatTransform(self, x):
+ """
+ transform a float.It is use to determine the x.
+ View min and x.View max for values
+ not in x
+ """
+ # TODO: refactor this with proper object-oriented design
+ # This code stinks.
+ if self.xLabel == "x":
+ return transform.toX(x)
+ if self.xLabel == "x^(2)":
+ return transform.toX2(x)
+ if self.xLabel == "ln(x)":
+ return transform.toLogX(x)
+ if self.xLabel == "log10(x)":
+ if x > 0:
+ return x
+ else:
+ raise ValueError, "cannot compute log of a negative number"
+
+ def floatInvTransform(self, x):
+ """
+ transform a float.It is used to determine the x.View min and x.View
+ max for values not in x. Also used to properly calculate RgQmin,
+ RgQmax and to update qmin and qmax in the linear range boxes on the
+ panel.
+
+ """
+ # TODO: refactor this. This is just a hack to make the
+ # functionality work without rewritting the whole code
+ # with good design (which really should be done...).
+ if self.xLabel == "x":
+ return x
+ elif self.xLabel == "x^(2)":
+ return math.sqrt(x)
+ elif self.xLabel == "x^(4)":
+ return math.sqrt(math.sqrt(x))
+ elif self.xLabel == "log10(x)":
+ return math.pow(10, x)
+ elif self.xLabel == "ln(x)":
+ return math.exp(x)
+ elif self.xLabel == "log10(x^(4))":
+ return math.sqrt(math.sqrt(math.pow(10, x)))
+ return x
+
+ def checkFitValues(self, item):
+ """
+ Check the validity of input values
+ """
+ flag = True
+ value = item.GetValue()
+ # Check for possible values entered
+ if self.xLabel == "log10(x)":
+ if float(value) > 0:
+ item.SetBackgroundColour(wx.WHITE)
+ item.Refresh()
+ else:
+ flag = False
+ item.SetBackgroundColour("pink")
+ item.Refresh()
+ return flag
+
+ def setFitRange(self, xmin, xmax, xminTrans, xmaxTrans):
+ """
+ Set fit parameters
+ """
+ self.xminFit.SetValue(format_number(xmin))
+ self.xmaxFit.SetValue(format_number(xmax))
+
+ def set_fit_region(self, xmin, xmax):
+ """
+ Set the fit region
+ :param xmin: minimum x-value to be included in fit
+ :param xmax: maximum x-value to be included in fit
+ """
+ # Check values
+ try:
+ float(xmin)
+ float(xmax)
+ except:
+ msg = "LinearFit.set_fit_region: fit range must be floats"
+ raise ValueError, msg
+ self.xminFit.SetValue(format_number(xmin))
+ self.xmaxFit.SetValue(format_number(xmax))
+
+
+class MyApp(wx.App):
+ """
+ Test application
+ """
+ def OnInit(self):
+ """
+ Test application initialization
+ """
+ wx.InitAllImageHandlers()
+ plot = Theory1D([], [])
+ dialog = LinearFit(parent=None, plottable=plot,
+ push_data=self.onFitDisplay,
+ transform=self.returnTrans,
+ title='Linear Fit')
+ if dialog.ShowModal() == wx.ID_OK:
+ pass
+ dialog.Destroy()
+ return 1
+
+ def onFitDisplay(self, tempx, tempy, xminView, xmaxView, xmin, xmax, func):
+ """
+ Test application dummy method
+ """
+ pass
+
+ def returnTrans(self):
+ """
+ Test application dummy method
+ """
+ return '', '', 0, 0, 0, 0, 0
diff --git a/src/sas/sasgui/plottools/fittings.py b/src/sas/sasgui/plottools/fittings.py
new file mode 100644
index 0000000..2ccc404
--- /dev/null
+++ b/src/sas/sasgui/plottools/fittings.py
@@ -0,0 +1,109 @@
+"""
+This module is used to fit a set of x,y data to a model passed to it. It is
+used to calculate the slope and intercepts for the linearized fits. Two things
+should be noted:
+
+First, this fitting module uses the NLLSQ module of SciPy rather than a linear
+fit. This along with a few other modules could probably be removed if we
+move to a linear regression approach.
+
+Second, this infrastructure does not allow for resolution smearing of the
+the models. Hence the results are not that accurate even for pinhole
+collimation of SANS but may be good for SAXS. It is completely wrong for
+slit smeared data.
+
+"""
+from scipy import optimize
+
+
+class Parameter(object):
+ """
+ Class to handle model parameters - sets the parameters and their
+ initial value from the model based to it.
+ """
+ def __init__(self, model, name, value=None):
+ self.model = model
+ self.name = name
+ if not value == None:
+ self.model.setParam(self.name, value)
+
+ def set(self, value):
+ """
+ Set the value of the parameter
+ """
+ self.model.setParam(self.name, value)
+
+ def __call__(self):
+ """
+ Return the current value of the parameter
+ """
+ return self.model.getParam(self.name)
+
+
+def sasfit(model, pars, x, y, err_y, qmin=None, qmax=None):
+ """
+ Fit function
+
+ :param model: sas model object
+ :param pars: list of parameters
+ :param x: vector of x data
+ :param y: vector of y data
+ :param err_y: vector of y errors
+ """
+ def f(params):
+ """
+ Calculates the vector of residuals for each point
+ in y for a given set of input parameters.
+
+ :param params: list of parameter values
+ :return: vector of residuals
+ """
+ i = 0
+ for p in pars:
+ p.set(params[i])
+ i += 1
+
+ residuals = []
+ for j in range(len(x)):
+ if x[j] >= qmin and x[j] <= qmax:
+ residuals.append((y[j] - model.runXY(x[j])) / err_y[j])
+ return residuals
+
+ def chi2(params):
+ """
+ Calculates chi^2
+
+ :param params: list of parameter values
+
+ :return: chi^2
+
+ """
+ sum = 0
+ res = f(params)
+ for item in res:
+ sum += item * item
+ return sum
+
+ p = [param() for param in pars]
+ out, cov_x, info, mesg, success = optimize.leastsq(f, p, full_output=1)
+ # Calculate chi squared
+ if len(pars) > 1:
+ chisqr = chi2(out)
+ elif len(pars) == 1:
+ chisqr = chi2([out])
+
+ return chisqr, out, cov_x
+
+
+def calcCommandline(event):
+ # Testing implementation
+ # Fit a Line model
+ from LineModel import LineModel
+ line = LineModel()
+ cstA = Parameter(line, 'A', event.cstA)
+ cstB = Parameter(line, 'B', event.cstB)
+ y = line.run()
+ chisqr, out, cov = sasfit(line, [cstA, cstB], event.x, y, 0)
+ # print "Output parameters:", out
+ print "The right answer is [70.0, 1.0]"
+ print chisqr, out, cov
diff --git a/src/sas/sasgui/plottools/plottable_interactor.py b/src/sas/sasgui/plottools/plottable_interactor.py
new file mode 100644
index 0000000..1f00f01
--- /dev/null
+++ b/src/sas/sasgui/plottools/plottable_interactor.py
@@ -0,0 +1,231 @@
+"""
+ This module allows more interaction with the plot
+"""
+from BaseInteractor import _BaseInteractor
+
+class PointInteractor(_BaseInteractor):
+ """
+ """
+ def __init__(self, base, axes, color='black', zorder=3, id=''):
+ """
+ """
+ _BaseInteractor.__init__(self, base, axes, color=color)
+ self.zorder = zorder
+ self.id = id
+ self.color = color
+ self.colorlist = ['b', 'g', 'r', 'c', 'm', 'y', 'k']
+ self.symbollist = ['o', 'x', '^', 'v', '<', '>',
+ '+', 's', 'd', 'D', 'h', 'H', 'p', '-', '--',
+ 'vline', 'step']
+ self.markersize = None
+ self.marker = None
+ self.marker2 = None
+ self._button_down = False
+ self._context_menu = False
+ self._dragged = False
+ self.connect_markers([self.axes])
+
+ def _color(self, c):
+ """Return a particular colour"""
+ return self.colorlist[c % len(self.colorlist)]
+
+ def _symbol(self, s):
+ """Return a particular symbol"""
+ return self.symbollist[s % len(self.symbollist)]
+
+ def points(self, x, y, dx=None, dy=None, color=0, symbol=0, zorder=1,
+ markersize=5, label=None, hide_error=False):
+ """
+ """
+ # Draw curve
+ if self._symbol(symbol) == '-' or self._symbol(symbol) == '--':
+ l_width = markersize * 0.4
+ return self.curve(x=x, y=y, color=color, symbol=symbol,
+ label=label, width=l_width)
+ # return
+ if self._symbol(symbol) == 'vline':
+ l_width = markersize * 0.4
+ return self.vline(x=x, y=y, color=color, label=label, width=l_width)
+ if self._symbol(symbol) == 'step':
+ l_width = markersize * 0.4
+ return self.step(x=x, y=y, color=color, label=label, width=l_width)
+ if not self.marker == None:
+ self.base.connect.clear([self.marker])
+ self.color = self._color(color)
+ if self.markersize != None:
+ markersize = self.markersize
+ # Convert tuple (lo,hi) to array [(x-lo),(hi-x)]
+ if dx != None and type(dx) == type(()):
+ dx = nx.vstack((x - dx[0], dx[1] - x)).transpose()
+ if dy != None and type(dy) == type(()):
+ dy = nx.vstack((y - dy[0], dy[1] - y)).transpose()
+
+ if dx == None and dy == None:
+ # zorder = 1
+ self.marker = self.axes.plot(x, y, color=self.color,
+ marker=self._symbol(symbol),
+ markersize=markersize,
+ linestyle='', label=label,
+ zorder=zorder)[0]
+ else:
+
+ if hide_error:
+ # zorder = 1
+ self.marker = self.axes.plot(x, y, color=self.color,
+ marker=self._symbol(symbol),
+ markersize=markersize,
+ linestyle='', label=label,
+ zorder=1)[0]
+ else:
+ # zorder = 2
+ self.marker = self.axes.errorbar(x, y, yerr=dy,
+ xerr=None,
+ ecolor=self.color,
+ color=self.color,
+ capsize=2,
+ linestyle='',
+ barsabove=False,
+ marker=self._symbol(symbol),
+ markersize=markersize,
+ lolims=False, uplims=False,
+ xlolims=False, xuplims=False,
+ label=label,
+ zorder=1)[0]
+
+ self.connect_markers([self.marker])
+ self.update()
+
+ def curve(self, x, y, dy=None, color=0, symbol=0, zorder=10,
+ label=None, width=2.0):
+ """
+ """
+ if not self.marker == None:
+ self.base.connect.clear([self.marker])
+ self.color = self._color(color)
+ self.marker = self.axes.plot(x, y, color=self.color, lw=width,
+ marker='', linestyle=self._symbol(symbol),
+ label=label, zorder=zorder)[0]
+
+ self.connect_markers([self.marker])
+ self.update()
+
+
+ def vline(self, x, y, dy=None, color=0, symbol=0, zorder=1,
+ label=None, width=2.0):
+ """
+ """
+ if not self.marker == None:
+ self.base.connect.clear([self.marker])
+ self.color = self._color(color)
+ if min(y) < 0:
+ y_min = 0.0
+ else:
+ y_min = min(y) * 9 / 10
+ self.marker = self.axes.vlines(x=x, ymin=y_min, ymax=y,
+ color=self.color,
+ linestyle='-', label=label,
+ lw=width, zorder=zorder)
+ self.connect_markers([self.marker])
+ self.update()
+
+ def step(self, x, y, dy=None, color=0, symbol=0, zorder=1,
+ label=None, width=2.0):
+ """
+ """
+ if not self.marker == None:
+ self.base.connect.clear([self.marker])
+ self.color = self._color(color)
+ self.marker = self.axes.step(x, y, color=self.color,
+ marker='',
+ linestyle='-', label=label,
+ lw=width, zorder=zorder)[0]
+ self.connect_markers([self.marker])
+ self.update()
+
+ def connect_markers(self, markers):
+ """
+ Connect markers to callbacks
+ """
+ for h in markers:
+ connect = self.base.connect
+ connect('enter', h, self._on_enter)
+ connect('leave', h, self._on_leave)
+ connect('click', h, self._on_click)
+ connect('release', h, self._on_release)
+ connect('key', h, self.onKey)
+
+ def clear(self):
+ print "plottable_interactor.clear()"
+
+ def _on_click(self, evt):
+ """
+ Called when a mouse button is clicked
+ from within the boundaries of an artist.
+ """
+ if self._context_menu == True:
+ self._context_menu = False
+ evt.artist = self.marker
+ self._on_leave(evt)
+
+ def _on_release(self, evt):
+ """
+ Called when a mouse button is released
+ within the boundaries of an artist
+ """
+ # Check to see whether we are about to pop
+ # the context menu up
+ if evt.button == 3:
+ self._context_menu = True
+
+ def _on_enter(self, evt):
+ """
+ Called when we are entering the boundaries
+ of an artist.
+ """
+ if not evt.artist.__class__.__name__ == "AxesSubplot":
+ self.base.plottable_selected(self.id)
+
+ if evt.artist.get_color() == 'y':
+ try:
+ evt.artist.set_color('b')
+ except:
+ evt.artist.set_color_cycle('b')
+ if hasattr(evt.artist, "set_facecolor"):
+ evt.artist.set_facecolor('b')
+ if hasattr(evt.artist, "set_edgecolor"):
+ evt.artist.set_edgecolor('b')
+ else:
+ try:
+ evt.artist.set_color('y')
+ except:
+ evt.artist.set_color_cycle('y')
+ if hasattr(evt.artist, "set_facecolor"):
+ evt.artist.set_facecolor('y')
+ if hasattr(evt.artist, "set_edgecolor"):
+ evt.artist.set_edgecolor('y')
+
+ self.axes.figure.canvas.draw_idle()
+
+ def _on_leave(self, evt):
+ """
+ Called when we are leaving the boundaries
+ of an artist.
+ """
+ if not evt.artist.__class__.__name__ == "AxesSubplot":
+ if self._context_menu == False:
+ self.base.plottable_selected(None)
+ try:
+ evt.artist.set_color(self.color)
+ except:
+ evt.artist.set_color_cycle(self.color)
+ if hasattr(evt.artist, "set_facecolor"):
+ evt.artist.set_facecolor(self.color)
+ if hasattr(evt.artist, "set_edgecolor"):
+ evt.artist.set_edgecolor(self.color)
+ self.axes.figure.canvas.draw_idle()
+
+ def update(self):
+ """
+ Update
+ """
+ pass
diff --git a/src/sas/sasgui/plottools/plottables.py b/src/sas/sasgui/plottools/plottables.py
new file mode 100644
index 0000000..756a16a
--- /dev/null
+++ b/src/sas/sasgui/plottools/plottables.py
@@ -0,0 +1,1283 @@
+"""
+Prototype plottable object support.
+
+The main point of this prototype is to provide a clean separation between
+the style (plotter details: color, grids, widgets, etc.) and substance
+(application details: which information to plot). Programmers should not be
+dictating line colours and plotting symbols.
+
+Unlike the problem of style in CSS or Word, where most paragraphs look
+the same, each line on a graph has to be distinguishable from its neighbours.
+Our solution is to provide parametric styles, in which a number of
+different classes of object (e.g., reflectometry data, reflectometry
+theory) representing multiple graph primitives cycle through a colour
+palette provided by the underlying plotter.
+
+A full treatment would provide perceptual dimensions of prominence and
+distinctiveness rather than a simple colour number.
+
+"""
+
+# Design question: who owns the color?
+# Is it a property of the plottable?
+# Or of the plottable as it exists on the graph?
+# Or if the graph?
+# If a plottable can appear on multiple graphs, in some case the
+# color should be the same on each graph in which it appears, and
+# in other cases (where multiple plottables from different graphs
+# coexist), the color should be assigned by the graph. In any case
+# once a plottable is placed on the graph its color should not
+# depend on the other plottables on the graph. Furthermore, if
+# a plottable is added and removed from a graph and added again,
+# it may be nice, but not necessary, to have the color persist.
+#
+# The safest approach seems to be to give ownership of color
+# to the graph, which will allocate the colors along with the
+# plottable. The plottable will need to return the number of
+# colors that are needed.
+#
+# The situation is less clear for symbols. It is less clear
+# how much the application requires that symbols be unique across
+# all plots on the graph.
+
+# Support for ancient python versions
+import copy
+import numpy
+import sys
+import logging
+
+if 'any' not in dir(__builtins__):
+ def any(L):
+ for cond in L:
+ if cond:
+ return True
+ return False
+
+ def all(L):
+ for cond in L:
+ if not cond:
+ return False
+ return True
+
+
+class Graph(object):
+ """
+ Generic plottables graph structure.
+
+ Plot styles are based on color/symbol lists. The user gets to select
+ the list of colors/symbols/sizes to choose from, not the application
+ developer. The programmer only gets to add/remove lines from the
+ plot and move to the next symbol/color.
+
+ Another dimension is prominence, which refers to line sizes/point sizes.
+
+ Axis transformations allow the user to select the coordinate view
+ which provides clarity to the data. There is no way we can provide
+ every possible transformation for every application generically, so
+ the plottable objects themselves will need to provide the transformations.
+ Here are some examples from reflectometry: ::
+
+ independent: x -> f(x)
+ monitor scaling: y -> M*y
+ log: y -> log(y if y > min else min)
+ cos: y -> cos(y*pi/180)
+ dependent: x -> f(x,y)
+ Q4: y -> y*x^4
+ fresnel: y -> y*fresnel(x)
+ coordinated: x,y = f(x,y)
+ Q: x -> 2*pi/L (cos(x*pi/180) - cos(y*pi/180))
+ y -> 2*pi/L (sin(x*pi/180) + sin(y*pi/180))
+ reducing: x,y = f(x1,x2,y1,y2)
+ spin asymmetry: x -> x1, y -> (y1 - y2)/(y1 + y2)
+ vector net: x -> x1, y -> y1*cos(y2*pi/180)
+
+ Multiple transformations are possible, such as Q4 spin asymmetry
+
+ Axes have further complications in that the units of what are being
+ plotted should correspond to the units on the axes. Plotting multiple
+ types on the same graph should be handled gracefully, e.g., by creating
+ a separate tab for each available axis type, breaking into subplots,
+ showing multiple axes on the same plot, or generating inset plots.
+ Ultimately the decision should be left to the user.
+
+ Graph properties such as grids/crosshairs should be under user control,
+ as should the sizes of items such as axis fonts, etc. No direct
+ access will be provided to the application.
+
+ Axis limits are mostly under user control. If the user has zoomed or
+ panned then those limits are preserved even if new data is plotted.
+ The exception is when, e.g., scanning through a set of related lines
+ in which the user may want to fix the limits so that user can compare
+ the values directly. Another exception is when creating multiple
+ graphs sharing the same limits, though this case may be important
+ enough that it is handled by the graph widget itself. Axis limits
+ will of course have to understand the effects of axis transformations.
+
+ High level plottable objects may be composed of low level primitives.
+ Operations such as legend/hide/show copy/paste, etc. need to operate
+ on these primitives as a group. E.g., allowing the user to have a
+ working canvas where they can drag lines they want to save and annotate
+ them.
+
+ Graphs need to be printable. A page layout program for entire plots
+ would be nice.
+
+ """
+ def _xaxis_transformed(self, name, units):
+ """
+ Change the property of the x axis
+ according to an axis transformation
+ (as opposed to changing the basic properties)
+ """
+ if units != "":
+ name = "%s (%s)" % (name, units)
+ self.prop["xlabel"] = name
+ self.prop["xunit"] = units
+
+ def _yaxis_transformed(self, name, units):
+ """
+ Change the property of the y axis
+ according to an axis transformation
+ (as opposed to changing the basic properties)
+ """
+ if units != "":
+ name = "%s (%s)" % (name, units)
+ self.prop["ylabel"] = name
+ self.prop["yunit"] = units
+
+ def xaxis(self, name, units):
+ """
+ Properties of the x axis.
+ """
+ if units != "":
+ name = "%s (%s)" % (name, units)
+ self.prop["xlabel"] = name
+ self.prop["xunit"] = units
+ self.prop["xlabel_base"] = name
+ self.prop["xunit_base"] = units
+
+ def yaxis(self, name, units):
+ """
+ Properties of the y axis.
+ """
+ if units != "":
+ name = "%s (%s)" % (name, units)
+ self.prop["ylabel"] = name
+ self.prop["yunit"] = units
+ self.prop["ylabel_base"] = name
+ self.prop["yunit_base"] = units
+
+ def title(self, name):
+ """
+ Graph title
+ """
+ self.prop["title"] = name
+
+ def get(self, key):
+ """
+ Get the graph properties
+ """
+ if key == "color":
+ return self.color
+ elif key == "symbol":
+ return self.symbol
+ else:
+ return self.prop[key]
+
+ def set(self, **kw):
+ """
+ Set the graph properties
+ """
+ for key in kw:
+ if key == "color":
+ self.color = kw[key] % len(self.colorlist)
+ elif key == "symbol":
+ self.symbol = kw[key] % len(self.symbollist)
+ else:
+ self.prop[key] = kw[key]
+
+ def isPlotted(self, plottable):
+ """Return True is the plottable is already on the graph"""
+ if plottable in self.plottables:
+ return True
+ return False
+
+ def add(self, plottable, color=None):
+ """Add a new plottable to the graph"""
+ # record the colour associated with the plottable
+ if not plottable in self.plottables:
+ if color is not None:
+ self.plottables[plottable] = color
+ else:
+ self.color += plottable.colors()
+ self.plottables[plottable] = self.color
+ plottable.custom_color = self.color
+
+ def changed(self):
+ """Detect if any graphed plottables have changed"""
+ return any([p.changed() for p in self.plottables])
+
+ def get_range(self):
+ """
+ Return the range of all displayed plottables
+ """
+ min_value = None
+ max_value = None
+ for p in self.plottables:
+ if p.hidden == True:
+ continue
+ if not p.x == None:
+ for x_i in p.x:
+ if min_value == None or x_i < min_value:
+ min_value = x_i
+ if max_value == None or x_i > max_value:
+ max_value = x_i
+ return min_value, max_value
+
+ def replace(self, plottable):
+ """Replace an existing plottable from the graph"""
+ selected_color = None
+ selected_plottable = None
+ for p in self.plottables.keys():
+ if plottable.id == p.id:
+ selected_plottable = p
+ selected_color = self.plottables[p]
+ break
+ if selected_plottable is not None and selected_color is not None:
+ del self.plottables[selected_plottable]
+ self.plottables[plottable] = selected_color
+
+ def delete(self, plottable):
+ """Remove an existing plottable from the graph"""
+ if plottable in self.plottables:
+ del self.plottables[plottable]
+ self.color = len(self.plottables)
+
+ def reset_scale(self):
+ """
+ Resets the scale transformation data to the underlying data
+ """
+ for p in self.plottables:
+ p.reset_view()
+
+ def reset(self):
+ """Reset the graph."""
+ self.color = -1
+ self.symbol = 0
+ self.prop = {"xlabel": "", "xunit": None,
+ "ylabel": "", "yunit": None,
+ "title": ""}
+ self.plottables = {}
+
+ def _make_labels(self):
+ """
+ """
+ # Find groups of related plottables
+ sets = {}
+ for p in self.plottables:
+ if p.__class__ in sets:
+ sets[p.__class__].append(p)
+ else:
+ sets[p.__class__] = [p]
+ # Ask each plottable class for a set of unique labels
+ labels = {}
+ for c in sets:
+ labels.update(c.labels(sets[c]))
+ return labels
+
+ def get_plottable(self, name):
+ """
+ Return the plottable with the given
+ name if it exists. Otherwise return None
+ """
+ for item in self.plottables:
+ if item.name == name:
+ return item
+ return None
+
+ def returnPlottable(self):
+ """
+ This method returns a dictionary of plottables contained in graph
+ It is just by Plotpanel to interact with the complete list of plottables
+ inside the graph.
+ """
+ return self.plottables
+
+ def render(self, plot):
+ """Redraw the graph"""
+ plot.connect.clearall()
+ plot.clear()
+ plot.properties(self.prop)
+ labels = self._make_labels()
+ for p in self.plottables:
+ if p.custom_color is not None:
+ p.render(plot, color=p.custom_color, symbol=0,
+ markersize=p.markersize, label=labels[p])
+ else:
+ p.render(plot, color=self.plottables[p], symbol=0,
+ markersize=p.markersize, label=labels[p])
+ plot.render()
+
+ def __init__(self, **kw):
+ self.reset()
+ self.set(**kw)
+ # Name of selected plottable, if any
+ self.selected_plottable = None
+
+
+# Transform interface definition
+# No need to inherit from this class, just need to provide
+# the same methods.
+class Transform(object):
+ """
+ Define a transform plugin to the plottable architecture.
+
+ Transforms operate on axes. The plottable defines the
+ set of transforms available for it, and the axes on which
+ they operate. These transforms can operate on the x axis
+ only, the y axis only or on the x and y axes together.
+
+ This infrastructure is not able to support transformations
+ such as log and polar plots as these require full control
+ over the drawing of axes and grids.
+
+ A transform has a number of attributes.
+
+ name
+ user visible name for the transform. This will
+ appear in the context menu for the axis and the transform
+ menu for the graph.
+
+ type
+ operational axis. This determines whether the
+ transform should appear on x,y or z axis context
+ menus, or if it should appear in the context menu for
+ the graph.
+
+ inventory
+ (not implemented)
+ a dictionary of user settable parameter names and
+ their associated types. These should appear as keyword
+ arguments to the transform call. For example, Fresnel
+ reflectivity requires the substrate density:
+ ``{ 'rho': type.Value(10e-6/units.angstrom**2) }``
+ Supply reasonable defaults in the callback so that
+ limited plotting clients work even though they cannot
+ set the inventory.
+
+ """
+ def __call__(self, plottable, **kwargs):
+ """
+ Transform the data. Whenever a plottable is added
+ to the axes, the infrastructure will apply all required
+ transforms. When the user selects a different representation
+ for the axes (via menu, script, or context menu), all
+ plottables on the axes will be transformed. The
+ plottable should store the underlying data but set
+ the standard x,dx,y,dy,z,dz attributes appropriately.
+
+ If the call raises a NotImplemented error the dataline
+ will not be plotted. The associated string will usually
+ be 'Not a valid transform', though other strings are possible.
+ The application may or may not display the message to the
+ user, along with an indication of which plottable was at fault.
+
+ """
+ raise NotImplemented, "Not a valid transform"
+
+ # Related issues
+ # ==============
+ #
+ # log scale:
+ # All axes have implicit log/linear scaling options.
+ #
+ # normalization:
+ # Want to display raw counts vs detector efficiency correction
+ # Want to normalize by time/monitor/proton current/intensity.
+ # Want to display by eg. counts per 3 sec or counts per 10000 monitor.
+ # Want to divide by footprint (ab initio, fitted or measured).
+ # Want to scale by attenuator values.
+ #
+ # compare/contrast:
+ # Want to average all visible lines with the same tag, and
+ # display difference from one particular line. Not a transform
+ # issue?
+ #
+ # multiline graph:
+ # How do we show/hide data parts. E.g., data or theory, or
+ # different polarization cross sections? One way is with
+ # tags: each plottable has a set of tags and the tags are
+ # listed as check boxes above the plotting area. Click a
+ # tag and all plottables with that tag are hidden on the
+ # plot and on the legend.
+ #
+ # nonconformant y-axes:
+ # What do we do with temperature vs. Q and reflectivity vs. Q
+ # on the same graph?
+ #
+ # 2D -> 1D:
+ # Want various slices through the data. Do transforms apply
+ # to the sliced data as well?
+
+
+class Plottable(object):
+ """
+ """
+ # Short ascii name to refer to the plottable in a menu
+ short_name = None
+ # Fancy name
+ name = None
+ # Data
+ x = None
+ y = None
+ dx = None
+ dy = None
+ # Parameter to allow a plot to be part of the list without being displayed
+ hidden = False
+ # Flag to set whether a plottable has an interactor or not
+ interactive = True
+ custom_color = None
+ markersize = 5 # default marker size is 'size 5'
+
+ def __init__(self):
+ self.view = View()
+ self._xaxis = ""
+ self._xunit = ""
+ self._yaxis = ""
+ self._yunit = ""
+
+ def __setattr__(self, name, value):
+ """
+ Take care of changes in View when data is changed.
+ This method is provided for backward compatibility.
+ """
+ object.__setattr__(self, name, value)
+ if name in ['x', 'y', 'dx', 'dy']:
+ self.reset_view()
+ # print "self.%s has been called" % name
+
+ def set_data(self, x, y, dx=None, dy=None):
+ """
+ """
+ self.x = x
+ self.y = y
+ self.dy = dy
+ self.dx = dx
+ self.transformView()
+
+ def xaxis(self, name, units):
+ """
+ Set the name and unit of x_axis
+
+ :param name: the name of x-axis
+ :param units: the units of x_axis
+
+ """
+ self._xaxis = name
+ self._xunit = units
+
+ def yaxis(self, name, units):
+ """
+ Set the name and unit of y_axis
+
+ :param name: the name of y-axis
+ :param units: the units of y_axis
+
+ """
+ self._yaxis = name
+ self._yunit = units
+
+ def get_xaxis(self):
+ """Return the units and name of x-axis"""
+ return self._xaxis, self._xunit
+
+ def get_yaxis(self):
+ """ Return the units and name of y- axis"""
+ return self._yaxis, self._yunit
+
+ @classmethod
+ def labels(cls, collection):
+ """
+ Construct a set of unique labels for a collection of plottables of
+ the same type.
+
+ Returns a map from plottable to name.
+
+ """
+ n = len(collection)
+ label_dict = {}
+ if n > 0:
+ basename = str(cls).split('.')[-1]
+ if n == 1:
+ label_dict[collection[0]] = basename
+ else:
+ for i in xrange(len(collection)):
+ label_dict[collection[i]] = "%s %d" % (basename, i)
+ return label_dict
+
+ # #Use the following if @classmethod doesn't work
+ # labels = classmethod(labels)
+ def setLabel(self, labelx, labely):
+ """
+ It takes a label of the x and y transformation and set View parameters
+
+ :param transx: The label of x transformation is sent by Properties Dialog
+ :param transy: The label of y transformation is sent Properties Dialog
+
+ """
+ self.view.xLabel = labelx
+ self.view.yLabel = labely
+
+ def set_View(self, x, y):
+ """Load View"""
+ self.x = x
+ self.y = y
+ self.reset_view()
+
+ def reset_view(self):
+ """Reload view with new value to plot"""
+ self.view = View(self.x, self.y, self.dx, self.dy)
+ self.view.Xreel = self.view.x
+ self.view.Yreel = self.view.y
+ self.view.DXreel = self.view.dx
+ self.view.DYreel = self.view.dy
+
+ def render(self, plot):
+ """
+ The base class makes sure the correct units are being used for
+ subsequent plottable.
+
+ For now it is assumed that the graphs are commensurate, and if you
+ put a Qx object on a Temperature graph then you had better hope
+ that it makes sense.
+
+ """
+ plot.xaxis(self._xaxis, self._xunit)
+ plot.yaxis(self._yaxis, self._yunit)
+
+ def is_empty(self):
+ """
+ Returns True if there is no data stored in the plottable
+ """
+ if not self.x == None and len(self.x) == 0 \
+ and not self.y == None and len(self.y) == 0:
+ return True
+ return False
+
+ def colors(self):
+ """Return the number of colors need to render the object"""
+ return 1
+
+ def transformView(self):
+ """
+ It transforms x, y before displaying
+ """
+ self.view.transform(self.x, self.y, self.dx, self.dy)
+
+ def returnValuesOfView(self):
+ """
+ Return View parameters and it is used by Fit Dialog
+ """
+ return self.view.returnXview()
+
+ def check_data_PlottableX(self):
+ """
+ Since no transformation is made for log10(x), check that
+ no negative values is plot in log scale
+ """
+ self.view.check_data_logX()
+
+ def check_data_PlottableY(self):
+ """
+ Since no transformation is made for log10(y), check that
+ no negative values is plot in log scale
+ """
+ self.view.check_data_logY()
+
+ def transformX(self, transx, transdx):
+ """
+ Receive pointers to function that transform x and dx
+ and set corresponding View pointers
+
+ :param transx: pointer to function that transforms x
+ :param transdx: pointer to function that transforms dx
+
+ """
+ self.view.setTransformX(transx, transdx)
+
+ def transformY(self, transy, transdy):
+ """
+ Receive pointers to function that transform y and dy
+ and set corresponding View pointers
+
+ :param transy: pointer to function that transforms y
+ :param transdy: pointer to function that transforms dy
+
+ """
+ self.view.setTransformY(transy, transdy)
+
+ def onReset(self):
+ """
+ Reset x, y, dx, dy view with its parameters
+ """
+ self.view.onResetView()
+
+ def onFitRange(self, xmin=None, xmax=None):
+ """
+ It limits View data range to plot from min to max
+
+ :param xmin: the minimum value of x to plot.
+ :param xmax: the maximum value of x to plot
+
+ """
+ self.view.onFitRangeView(xmin, xmax)
+
+
+class View(object):
+ """
+ Representation of the data that might include a transformation
+ """
+ x = None
+ y = None
+ dx = None
+ dy = None
+
+ def __init__(self, x=None, y=None, dx=None, dy=None):
+ """
+ """
+ self.x = x
+ self.y = y
+ self.dx = dx
+ self.dy = dy
+ # To change x range to the reel range
+ self.Xreel = self.x
+ self.Yreel = self.y
+ self.DXreel = self.dx
+ self.DYreel = self.dy
+ # Labels of x and y received from Properties Dialog
+ self.xLabel = ""
+ self.yLabel = ""
+ # Function to transform x, y, dx and dy
+ self.funcx = None
+ self.funcy = None
+ self.funcdx = None
+ self.funcdy = None
+
+ def transform(self, x=None, y=None, dx=None, dy=None):
+ """
+ Transforms the x,y,dx and dy vectors and stores
+ the output in View parameters
+
+ :param x: array of x values
+ :param y: array of y values
+ :param dx: array of errors values on x
+ :param dy: array of error values on y
+
+ """
+ # Sanity check
+ # Do the transofrmation only when x and y are empty
+ has_err_x = not (dx == None or len(dx) == 0)
+ has_err_y = not (dy == None or len(dy) == 0)
+
+ if(x != None) and (y != None):
+ if not dx == None and not len(dx) == 0 and not len(x) == len(dx):
+ msg = "Plottable.View: Given x and dx are not"
+ msg += " of the same length"
+ raise ValueError, msg
+ # Check length of y array
+ if not len(y) == len(x):
+ msg = "Plottable.View: Given y "
+ msg += "and x are not of the same length"
+ raise ValueError, msg
+
+ if not dy == None and not len(dy) == 0 and not len(y) == len(dy):
+ msg = "Plottable.View: Given y and dy are not of the same "
+ msg += "length: len(y)=%s, len(dy)=%s" % (len(y), len(dy))
+ raise ValueError, msg
+ self.x = []
+ self.y = []
+ if has_err_x:
+ self.dx = []
+ else:
+ self.dx = None
+ if has_err_y:
+ self.dy = []
+ else:
+ self.dy = None
+ if not has_err_x:
+ dx = numpy.zeros(len(x))
+ if not has_err_y:
+ dy = numpy.zeros(len(y))
+ for i in range(len(x)):
+ try:
+ tempx = self.funcx(x[i], y[i])
+ tempy = self.funcy(y[i], x[i])
+ if has_err_x:
+ tempdx = self.funcdx(x[i], y[i], dx[i], dy[i])
+ if has_err_y:
+ tempdy = self.funcdy(y[i], x[i], dy[i], dx[i])
+ self.x.append(tempx)
+ self.y.append(tempy)
+ if has_err_x:
+ self.dx.append(tempdx)
+ if has_err_y:
+ self.dy.append(tempdy)
+ except Exception:
+ pass
+ # Sanity check
+ if not len(self.x) == len(self.y):
+ msg = "Plottable.View: transformed x "
+ msg += "and y are not of the same length"
+ raise ValueError, msg
+ if has_err_x and not (len(self.x) == len(self.dx)):
+ msg = "Plottable.View: transformed x and dx"
+ msg += " are not of the same length"
+ raise ValueError, msg
+ if has_err_y and not (len(self.y) == len(self.dy)):
+ msg = "Plottable.View: transformed y"
+ msg += " and dy are not of the same length"
+ raise ValueError, msg
+ # Check that negative values are not plot on x and y axis for
+ # log10 transformation
+ self.check_data_logX()
+ self.check_data_logY()
+ # Store x ,y dx,and dy in their full range for reset
+ self.Xreel = self.x
+ self.Yreel = self.y
+ self.DXreel = self.dx
+ self.DYreel = self.dy
+
+ def onResetView(self):
+ """
+ Reset x,y,dx and y in their full range and in the initial scale
+ in case their previous range has changed
+ """
+ self.x = self.Xreel
+ self.y = self.Yreel
+ self.dx = self.DXreel
+ self.dy = self.DYreel
+
+ def setTransformX(self, funcx, funcdx):
+ """
+ Receive pointers to function that transform x and dx
+ and set corresponding View pointers
+
+ :param transx: pointer to function that transforms x
+ :param transdx: pointer to function that transforms dx
+ """
+ self.funcx = funcx
+ self.funcdx = funcdx
+
+ def setTransformY(self, funcy, funcdy):
+ """
+ Receive pointers to function that transform y and dy
+ and set corresponding View pointers
+
+ :param transx: pointer to function that transforms y
+ :param transdx: pointer to function that transforms dy
+ """
+ self.funcy = funcy
+ self.funcdy = funcdy
+
+ def returnXview(self):
+ """
+ Return View x,y,dx,dy
+ """
+ return self.x, self.y, self.dx, self.dy
+
+ def check_data_logX(self):
+ """
+ Remove negative value in x vector to avoid plotting negative
+ value of Log10
+ """
+ tempx = []
+ tempdx = []
+ tempy = []
+ tempdy = []
+ if self.dx == None:
+ self.dx = numpy.zeros(len(self.x))
+ if self.dy == None:
+ self.dy = numpy.zeros(len(self.y))
+ if self.xLabel == "log10(x)":
+ for i in range(len(self.x)):
+ try:
+ if self.x[i] > 0:
+ tempx.append(self.x[i])
+ tempdx.append(self.dx[i])
+ tempy.append(self.y[i])
+ tempdy.append(self.dy[i])
+ except:
+ logging.error("check_data_logX: skipping point x %g", self.x[i])
+ logging.error(sys.exc_value)
+ self.x = tempx
+ self.y = tempy
+ self.dx = tempdx
+ self.dy = tempdy
+
+ def check_data_logY(self):
+ """
+ Remove negative value in y vector
+ to avoid plotting negative value of Log10
+
+ """
+ tempx = []
+ tempdx = []
+ tempy = []
+ tempdy = []
+ if self.dx == None:
+ self.dx = numpy.zeros(len(self.x))
+ if self.dy == None:
+ self.dy = numpy.zeros(len(self.y))
+ if self.yLabel == "log10(y)":
+ for i in range(len(self.x)):
+ try:
+ if self.y[i] > 0:
+ tempx.append(self.x[i])
+ tempdx.append(self.dx[i])
+ tempy.append(self.y[i])
+ tempdy.append(self.dy[i])
+ except:
+ logging.error("check_data_logY: skipping point %g", self.y[i])
+ logging.error(sys.exc_value)
+
+ self.x = tempx
+ self.y = tempy
+ self.dx = tempdx
+ self.dy = tempdy
+
+ def onFitRangeView(self, xmin=None, xmax=None):
+ """
+ It limits View data range to plot from min to max
+
+ :param xmin: the minimum value of x to plot.
+ :param xmax: the maximum value of x to plot
+
+ """
+ tempx = []
+ tempdx = []
+ tempy = []
+ tempdy = []
+ if self.dx == None:
+ self.dx = numpy.zeros(len(self.x))
+ if self.dy == None:
+ self.dy = numpy.zeros(len(self.y))
+ if xmin != None and xmax != None:
+ for i in range(len(self.x)):
+ if self.x[i] >= xmin and self.x[i] <= xmax:
+ tempx.append(self.x[i])
+ tempdx.append(self.dx[i])
+ tempy.append(self.y[i])
+ tempdy.append(self.dy[i])
+ self.x = tempx
+ self.y = tempy
+ self.dx = tempdx
+ self.dy = tempdy
+
+
+class Data2D(Plottable):
+ """
+ 2D data class for image plotting
+ """
+ def __init__(self, image=None, qx_data=None, qy_data=None,
+ err_image=None, xmin=None, xmax=None, ymin=None,
+ ymax=None, zmin=None, zmax=None):
+ """
+ Draw image
+ """
+ Plottable.__init__(self)
+ self.name = "Data2D"
+ self.label = None
+ self.data = image
+ self.qx_data = qx_data
+ self.qy_data = qx_data
+ self.err_data = err_image
+ self.source = None
+ self.detector = []
+
+ # # Units for Q-values
+ self.xy_unit = 'A^{-1}'
+ # # Units for I(Q) values
+ self.z_unit = 'cm^{-1}'
+ self._zaxis = ''
+ # x-axis unit and label
+ self._xaxis = '\\rm{Q_{x}}'
+ self._xunit = 'A^{-1}'
+ # y-axis unit and label
+ self._yaxis = '\\rm{Q_{y}}'
+ self._yunit = 'A^{-1}'
+
+ # ## might remove that later
+ # # Vector of Q-values at the center of each bin in x
+ self.x_bins = []
+ # # Vector of Q-values at the center of each bin in y
+ self.y_bins = []
+
+ # x and y boundaries
+ self.xmin = xmin
+ self.xmax = xmax
+ self.ymin = ymin
+ self.ymax = ymax
+
+ self.zmin = zmin
+ self.zmax = zmax
+ self.id = None
+
+ def xaxis(self, label, unit):
+ """
+ set x-axis
+
+ :param label: x-axis label
+ :param unit: x-axis unit
+
+ """
+ self._xaxis = label
+ self._xunit = unit
+
+ def yaxis(self, label, unit):
+ """
+ set y-axis
+
+ :param label: y-axis label
+ :param unit: y-axis unit
+
+ """
+ self._yaxis = label
+ self._yunit = unit
+
+ def zaxis(self, label, unit):
+ """
+ set z-axis
+
+ :param label: z-axis label
+ :param unit: z-axis unit
+
+ """
+ self._zaxis = label
+ self._zunit = unit
+
+ def setValues(self, datainfo=None):
+ """
+ Use datainfo object to initialize data2D
+
+ :param datainfo: object
+
+ """
+ self.image = copy.deepcopy(datainfo.data)
+ self.qx_data = copy.deepcopy(datainfo.qx_data)
+ self.qy_data = copy.deepcopy(datainfo.qy_data)
+ self.err_image = copy.deepcopy(datainfo.err_data)
+
+ self.xy_unit = datainfo.Q_unit
+ self.z_unit = datainfo.I_unit
+ self._zaxis = datainfo._zaxis
+
+ self.xaxis(datainfo._xunit, datainfo._xaxis)
+ self.yaxis(datainfo._yunit, datainfo._yaxis)
+ # x and y boundaries
+ self.xmin = datainfo.xmin
+ self.xmax = datainfo.xmax
+ self.ymin = datainfo.ymin
+ self.ymax = datainfo.ymax
+ # # Vector of Q-values at the center of each bin in x
+ self.x_bins = datainfo.x_bins
+ # # Vector of Q-values at the center of each bin in y
+ self.y_bins = datainfo.y_bins
+
+ def set_zrange(self, zmin=None, zmax=None):
+ """
+ """
+ if zmin < zmax:
+ self.zmin = zmin
+ self.zmax = zmax
+ else:
+ raise "zmin is greater or equal to zmax "
+
+ def render(self, plot, **kw):
+ """
+ Renders the plottable on the graph
+
+ """
+ plot.image(self.data, self.qx_data, self.qy_data,
+ self.xmin, self.xmax, self.ymin,
+ self.ymax, self.zmin, self.zmax, **kw)
+
+ def changed(self):
+ """
+ """
+ return False
+
+ @classmethod
+ def labels(cls, collection):
+ """Build a label mostly unique within a collection"""
+ label_dict = {}
+ for item in collection:
+ if item.label == "Data2D":
+ item.label = item.name
+ label_dict[item] = item.label
+ return label_dict
+
+
+class Data1D(Plottable):
+ """
+ Data plottable: scatter plot of x,y with errors in x and y.
+ """
+
+ def __init__(self, x, y, dx=None, dy=None, lam=None, dlam=None):
+ """
+ Draw points specified by x[i],y[i] in the current color/symbol.
+ Uncertainty in x is given by dx[i], or by (xlo[i],xhi[i]) if the
+ uncertainty is asymmetric. Similarly for y uncertainty.
+
+ The title appears on the legend.
+ The label, if it is different, appears on the status bar.
+ """
+ Plottable.__init__(self)
+ self.name = "data"
+ self.label = "data"
+ self.x = x
+ self.y = y
+ self.lam = lam
+ self.dx = dx
+ self.dy = dy
+ self.dlam = dlam
+ self.source = None
+ self.detector = None
+ self.xaxis('', '')
+ self.yaxis('', '')
+ self.view = View(self.x, self.y, self.dx, self.dy)
+ self.symbol = 0
+ self.custom_color = None
+ self.markersize = 5
+ self.id = None
+ self.zorder = 1
+ self.hide_error = False
+
+ def render(self, plot, **kw):
+ """
+ Renders the plottable on the graph
+ """
+ if self.interactive == True:
+ kw['symbol'] = self.symbol
+ kw['id'] = self.id
+ kw['hide_error'] = self.hide_error
+ kw['markersize'] = self.markersize
+ plot.interactive_points(self.view.x, self.view.y,
+ dx=self.view.dx, dy=self.view.dy,
+ name=self.name, zorder=self.zorder, **kw)
+ else:
+ kw['id'] = self.id
+ kw['hide_error'] = self.hide_error
+ kw['symbol'] = self.symbol
+ kw['color'] = self.custom_color
+ kw['markersize'] = self.markersize
+ plot.points(self.view.x, self.view.y, dx=self.view.dx,
+ dy=self.view.dy, zorder=self.zorder,
+ marker=self.symbollist[self.symbol], **kw)
+
+ def changed(self):
+ return False
+
+ @classmethod
+ def labels(cls, collection):
+ """Build a label mostly unique within a collection"""
+ label_dict = {}
+ for item in collection:
+ if item.label == "data":
+ item.label = item.name
+ label_dict[item] = item.label
+ return label_dict
+
+
+class Theory1D(Plottable):
+ """
+ Theory plottable: line plot of x,y with confidence interval y.
+ """
+ def __init__(self, x, y, dy=None):
+ """
+ Draw lines specified in x[i],y[i] in the current color/symbol.
+ Confidence intervals in x are given by dx[i] or by (xlo[i],xhi[i])
+ if the limits are asymmetric.
+
+ The title is the name that will show up on the legend.
+ """
+ Plottable.__init__(self)
+ msg = "Theory1D is no longer supported, please use Data1D and change symbol.\n"
+ raise DeprecationWarning, msg
+
+class Fit1D(Plottable):
+ """
+ Fit plottable: composed of a data line plus a theory line. This
+ is treated like a single object from the perspective of the graph,
+ except that it will have two legend entries, one for the data and
+ one for the theory.
+
+ The color of the data and theory will be shared.
+
+ """
+ def __init__(self, data=None, theory=None):
+ """
+ """
+ Plottable.__init__(self)
+ self.data = data
+ self.theory = theory
+
+ def render(self, plot, **kw):
+ """
+ """
+ self.data.render(plot, **kw)
+ self.theory.render(plot, **kw)
+
+ def changed(self):
+ """
+ """
+ return self.data.changed() or self.theory.changed()
+
+
+# ---------------------------------------------------------------
+class Text(Plottable):
+ """
+ """
+ def __init__(self, text=None, xpos=0.5, ypos=0.9, name='text'):
+ """
+ Draw the user-defined text in plotter
+ We can specify the position of text
+ """
+ Plottable.__init__(self)
+ self.name = name
+ self.text = text
+ self.xpos = xpos
+ self.ypos = ypos
+
+ def render(self, plot, **kw):
+ """
+ """
+ from matplotlib import transforms
+
+ xcoords = transforms.blended_transform_factory(plot.subplot.transAxes,
+ plot.subplot.transAxes)
+ plot.subplot.text(self.xpos,
+ self.ypos,
+ self.text,
+ label=self.name,
+ transform=xcoords)
+
+ def setText(self, text):
+ """Set the text string."""
+ self.text = text
+
+ def getText(self, text):
+ """Get the text string."""
+ return self.text
+
+ def set_x(self, x):
+ """
+ Set the x position of the text
+ ACCEPTS: float
+ """
+ self.xpos = x
+
+ def set_y(self, y):
+ """
+ Set the y position of the text
+ ACCEPTS: float
+ """
+ self.ypos = y
+
+
+# ---------------------------------------------------------------
+class Chisq(Plottable):
+ """
+ Chisq plottable plots the chisq
+ """
+ def __init__(self, chisq=None):
+ """
+ Draw the chisq in plotter
+ We can specify the position of chisq
+ """
+ Plottable.__init__(self)
+ self.name = "chisq"
+ self._chisq = chisq
+ self.xpos = 0.5
+ self.ypos = 0.9
+
+ def render(self, plot, **kw):
+ """
+ """
+ if self._chisq == None:
+ chisqTxt = r'$\chi^2=$'
+ else:
+ chisqTxt = r'$\chi^2=%g$' % (float(self._chisq))
+
+ from matplotlib import transforms
+
+ xcoords = transforms.blended_transform_factory(plot.subplot.transAxes,
+ plot.subplot.transAxes)
+ plot.subplot.text(self.xpos,
+ self.ypos,
+ chisqTxt, label='chisq',
+ transform=xcoords)
+
+ def setChisq(self, chisq):
+ """
+ Set the chisq value.
+ """
+ self._chisq = chisq
+
+
+######################################################
+
+def sample_graph():
+ import numpy as nx
+
+ # Construct a simple graph
+ if False:
+ x = nx.array([1, 2, 3, 4, 5, 6], 'd')
+ y = nx.array([4, 5, 6, 5, 4, 5], 'd')
+ dy = nx.array([0.2, 0.3, 0.1, 0.2, 0.9, 0.3])
+ else:
+ x = nx.linspace(0, 1., 10000)
+ y = nx.sin(2 * nx.pi * x * 2.8)
+ dy = nx.sqrt(100 * nx.abs(y)) / 100
+ data = Data1D(x, y, dy=dy)
+ data.xaxis('distance', 'm')
+ data.yaxis('time', 's')
+ graph = Graph()
+ graph.title('Walking Results')
+ graph.add(data)
+ graph.add(Theory1D(x, y, dy=dy))
+ return graph
+
+
+def demo_plotter(graph):
+ import wx
+ from pylab_plottables import Plotter
+ # from mplplotter import Plotter
+
+ # Make a frame to show it
+ app = wx.PySimpleApp()
+ frame = wx.Frame(None, -1, 'Plottables')
+ plotter = Plotter(frame)
+ frame.Show()
+
+ # render the graph to the pylab plotter
+ graph.render(plotter)
+
+ class GraphUpdate(object):
+ callnum = 0
+
+ def __init__(self, graph, plotter):
+ self.graph, self.plotter = graph, plotter
+
+ def __call__(self):
+ if self.graph.changed():
+ self.graph.render(self.plotter)
+ return True
+ return False
+
+ def onIdle(self, event):
+ self.callnum = self.callnum + 1
+ if self.__call__():
+ pass # event.RequestMore()
+ update = GraphUpdate(graph, plotter)
+ frame.Bind(wx.EVT_IDLE, update.onIdle)
+ app.MainLoop()
diff --git a/src/sas/sasgui/plottools/toolbar.py b/src/sas/sasgui/plottools/toolbar.py
new file mode 100644
index 0000000..0bd40e6
--- /dev/null
+++ b/src/sas/sasgui/plottools/toolbar.py
@@ -0,0 +1,172 @@
+"""
+ This module overwrites matplotlib toolbar
+"""
+import wx
+from matplotlib.backends.backend_wxagg import NavigationToolbar2WxAgg
+from matplotlib.backends.backend_wx import _load_bitmap
+import logging
+
+# Event binding code changed after version 2.5
+if wx.VERSION_STRING >= '2.5':
+ def bind(actor, event, action, **kw):
+ actor.Bind(event, action, **kw)
+else:
+ def bind(actor, event, action, id=None):
+ if id is not None:
+ event(actor, id, action)
+ else:
+ event(actor, action)
+
+class NavigationToolBar(NavigationToolbar2WxAgg):
+ _NTB2_HOME = wx.NewId()
+ _NTB2_BACK = wx.NewId()
+ _NTB2_FORWARD = wx.NewId()
+ _NTB2_PAN = wx.NewId()
+ _NTB2_ZOOM = wx.NewId()
+ _NTB2_SAVE = wx.NewId()
+ _NTB2_PRINT = wx.NewId()
+ _NTB2_RESET = wx.NewId()
+ _NTB2_COPY = wx.NewId()
+ """
+ Overwrite matplotlib toolbar
+ """
+ def __init__(self, canvas, parent=None):
+ NavigationToolbar2WxAgg.__init__(self, canvas)
+
+ # CRUFT: mpl 1.1 uses save rather than save_figure
+ try: save_figure = NavigationToolbar2WxAgg.save
+ except AttributeError: pass
+
+ def _init_toolbar(self):
+ self._parent = self.canvas.GetParent()
+
+ # for mpl 1.2+ compatibility
+ self.wx_ids = {}
+ self.wx_ids['Back'] = self._NTB2_BACK
+ self.wx_ids['Forward'] = self._NTB2_FORWARD
+ self.wx_ids['Pan'] = self._NTB2_PAN
+ self.wx_ids['Zoom'] = self._NTB2_ZOOM
+
+ self.SetToolBitmapSize(wx.Size(24, 24))
+
+ context_tip = 'Graph Menu: \n'
+ context_tip += ' For more menu options, \n'
+ context_tip += ' right-click the data symbols.'
+ context = wx.ArtProvider.GetBitmap(wx.ART_LIST_VIEW, wx.ART_TOOLBAR)
+ self.AddSimpleTool(self._NTB2_HOME, context, context_tip, context_tip)
+
+ self.InsertSeparator(1)
+
+ self.AddSimpleTool(self._NTB2_BACK, _load_bitmap('back.png'),
+ 'Back', 'Back navigation view')
+ self.AddSimpleTool(self._NTB2_FORWARD, _load_bitmap('forward.png'),
+ 'Forward', 'Forward navigation view')
+ # todo: get new bitmap
+ self.AddCheckTool(self._NTB2_PAN, _load_bitmap('move.png'),
+ shortHelp='Pan',
+ longHelp='Pan with left, zoom with right')
+ self.AddCheckTool(self._NTB2_ZOOM, _load_bitmap('zoom_to_rect.png'),
+ shortHelp='Zoom', longHelp='Zoom to rectangle')
+
+ self.AddSeparator()
+ self.AddSimpleTool(self._NTB2_SAVE, _load_bitmap('filesave.png'),
+ 'Save', 'Save plot contents to file')
+
+ print_bmp = wx.ArtProvider.GetBitmap(wx.ART_PRINT, wx.ART_TOOLBAR)
+ self.AddSimpleTool(self._NTB2_PRINT, print_bmp, 'Print', 'Print plot')
+
+ reset_bmp = wx.ArtProvider.GetBitmap(wx.ART_GO_HOME, wx.ART_TOOLBAR)
+ self.AddSimpleTool(self._NTB2_RESET, reset_bmp, 'Reset', 'Reset graph range')
+
+ bind(self, wx.EVT_TOOL, self.context_menu, id=self._NTB2_HOME)
+ bind(self, wx.EVT_TOOL, self.forward, id=self._NTB2_FORWARD)
+ bind(self, wx.EVT_TOOL, self.back, id=self._NTB2_BACK)
+ bind(self, wx.EVT_TOOL, self.zoom, id=self._NTB2_ZOOM)
+ bind(self, wx.EVT_TOOL, self.pan, id=self._NTB2_PAN)
+ bind(self, wx.EVT_TOOL, self.save_figure, id=self._NTB2_SAVE)
+ bind(self, wx.EVT_TOOL, self.print_figure, id=self._NTB2_PRINT)
+ bind(self, wx.EVT_TOOL, self.home, id=self._NTB2_RESET)
+
+ self.Realize()
+
+ def on_menu(self, event):
+ try:
+ self._parent.onToolContextMenu(event=event)
+ except:
+ logging.error("Plot toolbar could not show menu")
+
+ def context_menu(self, event):
+ """
+ Default context menu for a plot panel
+
+ """
+ # Slicer plot popup menu
+ popup = wx.Menu()
+ popup.Append(self._NTB2_SAVE, '&Save image', 'Save image as PNG')
+ wx.EVT_MENU(self, self._NTB2_SAVE, self.save_figure)
+
+ popup.Append(self._NTB2_PRINT, '&Print image', 'Print image ')
+ wx.EVT_MENU(self, self._NTB2_PRINT, self.print_figure)
+
+ popup.Append(self._NTB2_COPY, '&Copy to Clipboard', 'Copy image to the clipboard')
+ wx.EVT_MENU(self, self._NTB2_COPY, self.copy_figure)
+
+ # Show the popup menu relative to the location of the toolbar
+ self.PopupMenu(popup, (0,0))
+
+
+ def print_figure(self, event):
+ try:
+ _printer = wx.Printer()
+ _printer.Print(self.canvas, PlotPrintout(self.canvas), True)
+ except:
+ import traceback
+ logging.error(traceback.format_exc())
+
+ def copy_figure(self, event):
+ copy_image_to_clipboard(self.canvas)
+
+class PlotPrintout(wx.Printout):
+ """
+ Create the wx.Printout object for matplotlib figure from the PlotPanel.
+ Provides the required OnPrintPage and HasPage overrides. Other methods
+ may be added/overriden in the future.
+ :TODO: this needs LOTS of TLC .. but fixes immediate problem
+ """
+ def __init__(self, canvas):
+ """
+ Initialize wx.Printout and get passed figure object
+ """
+ wx.Printout.__init__(self)
+ self.canvas = canvas
+
+ def OnPrintPage(self, page):
+ """
+ Most rudimentry OnPrintPage overide. instatiates a dc object, gets
+ its size, gets the size of the figure object, scales it to the dc
+ canvas size keeping the aspect ratio intact, then prints as bitmap
+ """
+ _dc = self.GetDC()
+ (_dcX, _dcY) = _dc.GetSizeTuple()
+ (_bmpX,_bmpY) = self.canvas.GetSize()
+ _scale = min(_dcX/_bmpX, _dcY/_bmpY)
+ _dc.SetUserScale(_scale, _scale)
+ _dc.DrawBitmap(self.canvas.bitmap, 0, 0, False,)
+ return True
+
+ def GetPageInfo(self):
+ """
+ just sets the page to 1 - no flexibility for now
+ """
+ return (1, 1, 1, 1)
+
+
+def copy_image_to_clipboard(canvas):
+ bmp = wx.BitmapDataObject()
+ bmp.SetBitmap(canvas.bitmap)
+
+ wx.TheClipboard.Open()
+ wx.TheClipboard.SetData(bmp)
+ wx.TheClipboard.Close()
+
+
diff --git a/src/sas/sasgui/plottools/transform.py b/src/sas/sasgui/plottools/transform.py
new file mode 100644
index 0000000..112a5a8
--- /dev/null
+++ b/src/sas/sasgui/plottools/transform.py
@@ -0,0 +1,413 @@
+import math
+
+
+def toX(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+
+ :param x: Float value
+
+ :return: x
+
+ """
+ return x
+
+
+def toX_pos(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+
+ :param x: Float value
+
+ :return: x
+
+ """
+ if not x > 0:
+ raise ValueError, "Transformation only accepts positive values."
+ else:
+ return x
+
+
+def toX2(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+
+ Calculate x^(2)
+
+ :param x: float value
+
+ """
+ return x * x
+
+
+def fromX2(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+ Calculate square root of x
+
+ :param x: float value
+
+ """
+ if not x >= 0:
+ raise ValueError, "square root of a negative value "
+ else:
+ return math.sqrt(x)
+
+
+def toX4(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+
+ Calculate x^(4)
+
+ :param x: float value
+
+ """
+ return x * x * x * x
+
+
+def fromX4(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+ Calculate square root of x
+
+ :param x: float value
+
+ """
+ if not x >= 0:
+ raise ValueError, "double square root of a negative value "
+ else:
+ return math.sqrt(math.sqrt(x))
+
+
+def toLogX(x, y=None):
+ """
+ This function is used to load value on Plottable.View
+ calculate log x
+
+ :param x: float value
+
+ """
+ if not x > 0:
+ raise ValueError, "Log(x)of a negative value "
+ else:
+ return math.log(x)
+
+def toOneOverX(x, y=None):
+ """
+ """
+ if x != 0:
+ return 1 / x
+ else:
+ raise ValueError, "cannot divide by zero"
+
+
+def toOneOverSqrtX(y, x=None):
+ """
+ """
+ if y > 0:
+ return 1 / math.sqrt(y)
+ else:
+ raise ValueError, "transform.toOneOverSqrtX: cannot be computed"
+
+
+def toLogYX2(y, x):
+ """
+ """
+ if (y * (x ** 2)) > 0:
+ return math.log(y * (x ** 2))
+ else:
+ raise ValueError, "transform.toLogYX2: cannot be computed"
+
+
+def toLogYX4(y, x):
+ """
+ """
+ if (math.pow(x, 4) * y) > 0:
+ return math.log(math.pow(x, 4) * y)
+ else:
+ raise ValueError, "transform.toLogYX4: input error"
+
+
+def toYX4(y, x):
+ """
+ """
+ return math.pow(x, 4) * y
+
+def toYX2(y, x):
+ """
+ """
+ return math.pow(x, 2) * y
+
+def toLogXY(y, x):
+ """
+ This function is used to load value on Plottable.View
+ calculate log x
+
+ :param x: float value
+
+ """
+ if not (x * y) > 0:
+ raise ValueError, "Log(X*Y)of a negative value "
+ else:
+ return math.log(x * y)
+
+
+def errToX(x, y=None, dx=None, dy=None):
+ """
+ calculate error of x**2
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if dx == None:
+ dx = 0
+ return dx
+
+
+def errToX_pos(x, y=None, dx=None, dy=None):
+ """
+ calculate error of x**2
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if dx == None:
+ dx = 0
+ return dx
+
+
+def errToX2(x, y=None, dx=None, dy=None):
+ """
+ calculate error of x**2
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if dx != None:
+ err = 2 * x * dx
+ return math.fabs(err)
+ else:
+ return 0.0
+
+
+def errFromX2(x, y=None, dx=None, dy=None):
+ """
+ calculate error of sqrt(x)
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if x > 0:
+ if dx != None:
+ err = dx / (2 * math.sqrt(x))
+ else:
+ err = 0
+ return math.fabs(err)
+ else:
+ msg = "transform.errFromX2: can't compute error of negative x"
+ raise ValueError, msg
+
+
+def errToX4(x, y=None, dx=None, dy=None):
+ """
+ calculate error of x**4
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if dx != None:
+ err = 4 * math.pow(x, 3) * dx
+ return math.fabs(err)
+ else:
+ return 0.0
+
+
+def errFromX4(x, y=None, dx=None, dy=None):
+ """
+ calculate error of x^1/4
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if x > 0:
+ if dx != None:
+ err = dx / (4 * math.pow(x, 3 / 4))
+ else:
+ err = 0
+ return math.fabs(err)
+ else:
+ msg = "transform.errFromX4: can't compute error of negative x"
+ raise ValueError, msg
+
+
+def errToLog10X(x, y=None, dx=None, dy=None):
+ """
+ calculate error of Log(x)
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if dx == None:
+ dx = 0
+
+ # Check that the point on the graph is positive
+ # within errors
+ if not (x - dx) > 0:
+ msg = "Transformation does not accept"
+ msg += " point that are consistent with zero."
+ raise ValueError, msg
+ if x != 0:
+ dx = dx / (x * math.log(10))
+ else:
+ raise ValueError, "errToLogX: divide by zero"
+ return dx
+
+
+def errToLogX(x, y=None, dx=None, dy=None):
+ """
+ calculate error of Log(x)
+
+ :param x: float value
+ :param dx: float value
+
+ """
+ if dx == None:
+ dx = 0
+
+ # Check that the x point on the graph is zero
+ if x != 0:
+ dx = dx / x
+ else:
+ raise ValueError, "errToLogX: divide by zero"
+ return dx
+
+
+def errToYX2(y, x, dy=None, dx=None):
+ """
+ """
+ if dx == None:
+ dx = 0
+ if dy == None:
+ dy = 0
+ err = math.sqrt((2 * x * y * dx) ** 2 + ((x ** 2) * dy) ** 2)
+ return err
+
+
+def errToLogXY(x, y, dx=None, dy=None):
+ """
+ calculate error of Log(xy)
+
+ """
+ # Check that the point on the graph is positive
+ # within errors
+ if not (x - dx) > 0 or not (y - dy) > 0:
+ msg = "Transformation does not accept point "
+ msg += " that are consistent with zero."
+ raise ValueError, msg
+ if x != 0 and y != 0:
+ if dx == None:
+ dx = 0
+ if dy == None:
+ dy = 0
+ err = (dx / x) ** 2 + (dy / y) ** 2
+ else:
+ raise ValueError, "cannot compute this error"
+
+ return math.sqrt(math.fabs(err))
+
+
+def errToLogYX2(y, x, dy=None, dx=None):
+ """
+ calculate error of Log(yx**2)
+
+ """
+ # Check that the point on the graph is positive
+ # within errors
+ if not (x - dx) > 0 or not (y - dy) > 0:
+ msg = "Transformation does not accept point"
+ msg += " that are consistent with zero."
+ raise ValueError, msg
+ if x > 0 and y > 0:
+ if dx == None:
+ dx = 0
+ if dy == None:
+ dy = 0
+ err = (2.0 * dx / x) ** 2 + (dy / y) ** 2
+ else:
+ raise ValueError, "cannot compute this error"
+ return math.sqrt(math.fabs(err))
+
+
+def errOneOverX(x, y=None, dx=None, dy=None):
+ """
+ calculate error on 1/x
+
+ """
+ if x != 0:
+ if dx == None:
+ dx = 0
+ err = dx / x ** 2
+ else:
+ raise ValueError, "Cannot compute this error"
+ return math.fabs(err)
+
+
+def errOneOverSqrtX(x, y=None, dx=None, dy=None):
+ """
+ Calculate error on 1/sqrt(x)
+
+ """
+ if x > 0:
+ if dx == None:
+ dx = 0
+ err = -1 / 2 * math.pow(x, -3.0 / 2.0) * dx
+ else:
+ raise ValueError, "Cannot compute this error"
+ return math.fabs(err)
+
+
+def errToLogYX4(y, x, dy=None, dx=None):
+ """
+ error for ln(y*x^(4))
+
+ :param x: float value
+
+ """
+ # Check that the point on the graph is positive
+ # within errors
+ if (not (x - dx) > 0) or (not (y - dy) > 0):
+ msg = "Transformation does not accept point "
+ msg += " that are consistent with zero."
+ raise ValueError, msg
+ if dx == None:
+ dx = 0
+ if dy == None:
+ dy = 0
+ err = math.sqrt((4.0 * dx / x) ** 2 + (dy / y) ** 2)
+ return err
+
+
+def errToYX4(y, x, dy=None, dx=None):
+ """
+ error for (y*x^(4))
+
+ :param x: float value
+
+ """
+ # Check that the point on the graph is positive
+ # within errors
+
+ if dx == None:
+ dx = 0
+ if dy == None:
+ dy = 0
+ err = math.sqrt((dy * pow(x, 4)) ** 2 + (4 * y * dx * math.pow(x, 3)) ** 2)
+ return err
diff --git a/test/README.rst b/test/README.rst
new file mode 100644
index 0000000..84b4431
--- /dev/null
+++ b/test/README.rst
@@ -0,0 +1,16 @@
+Running Tests
+=============
+
+Tests are stored in subdirectories of the test directory, as
+*package/test/utest_\*.py*. Other files in the test subdirectory are
+data, expected output and other support files. Before running any tests
+you must first run *setup.py build* in the root. Tests are run against the
+current source directory with run magic to find the compiled code, so you
+only need to rebuild between tests if you are modifying the C code.
+
+Tests can be run in Eclipse (or other IDE) by selecting *utest_sasview.py*
+and selecting run. This will run all of the tests. To run tests for one
+one package, edit the *utest_sasview.py* run command and add the package
+directory to the command arguments. To run an individual test,
+select *run_one.py* and edit the command arguments to include the path to
+the desired test file.
diff --git a/test/calculatorview/test/utest_gui_sld.py b/test/calculatorview/test/utest_gui_sld.py
new file mode 100644
index 0000000..8cfdc1e
--- /dev/null
+++ b/test/calculatorview/test/utest_gui_sld.py
@@ -0,0 +1,191 @@
+"""
+test gui for sld calculator
+"""
+
+import unittest
+import wx
+
+H2O_DENSITY = 1.0
+WAVELENGTH = 6.0
+
+class testTextCtrl(unittest.TestCase):
+ """
+ txtctrl should have a pink background when the result are incorrect
+ and white when reset or correct value
+ """
+ def setUp(self):
+ """
+ Create an Sld calculator
+ """
+ self.app = wx.App()
+ from sas.sasgui.perspectives.calculator.sld_panel import SldWindow
+ self.sld_frame = SldWindow()
+
+ def testCompoundTextCtrl(self):
+ """
+ Test Compund textCtrl
+ """
+ #add invalid value for compound
+ self.sld_frame.panel.compound_ctl.SetValue("String not in table")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ id = self.sld_frame.panel.button_calculate.GetId()
+ clickEvent = wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED, id)
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'pink')
+ #compute invariant without entering a value for compound
+ self.sld_frame.panel.compound_ctl.SetValue("")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'pink')
+ #compute invariant without entering a value for compound
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'white')
+
+ def testDensityTextCtrl(self):
+ """
+ Test Density textCtrl
+
+ """
+ #add invalid value for density
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue("invalid density")
+ id = self.sld_frame.panel.button_calculate.GetId()
+ clickEvent = wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED, id)
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'pink')
+ #compute invariant without entering a value for density
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue("")
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'pink')
+ #compute invariant without entering a value for density
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'white')
+
+ def testWavelengthTextCtrl(self):
+ """
+ Test wavelength textCtrl
+
+ """
+ #add invalid value for wavelength
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.wavelength_ctl.SetValue("invalid wavelength")
+ id = self.sld_frame.panel.button_calculate.GetId()
+ clickEvent = wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED, id)
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.wavelength_ctl.GetBackgroundColour()
+ self.assert_(bkg.GetAsString() == 'pink')
+ #compute invariant without entering a value for wavelegnth
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.wavelength_ctl.SetValue("")
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ cp_bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(cp_bkg.GetAsString() == 'white')
+ ds_bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(ds_bkg.GetAsString() == 'white')
+ wv_bkg = self.sld_frame.panel.wavelength_ctl.GetBackgroundColour()
+ value = self.sld_frame.panel.wavelength_ctl.GetValue()
+ self.assert_(wv_bkg.GetAsString() == 'white')
+ self.assert_(float(value) == WAVELENGTH)
+ sld_real = self.sld_frame.panel.neutron_sld_real_ctl.GetValue()
+ sld_im = self.sld_frame.panel.neutron_sld_im_ctl.GetValue()
+ mo_real = self.sld_frame.panel.mo_ka_sld_real_ctl.GetValue()
+ mo_im = self.sld_frame.panel.mo_ka_sld_im_ctl.GetValue()
+ cu_real = self.sld_frame.panel.cu_ka_sld_real_ctl.GetValue()
+ cu_im = self.sld_frame.panel.cu_ka_sld_im_ctl.GetValue()
+ abs = self.sld_frame.panel.neutron_abs_ctl.GetValue()
+ incoh = self.sld_frame.panel.neutron_inc_ctl.GetValue()
+ length = self.sld_frame.panel.neutron_length_ctl.GetValue()
+
+ self.assertAlmostEquals(float(sld_real), 1.04e-6, 1)
+ self.assertAlmostEquals(float(sld_im), -1.5e-7, 1)
+ #test absorption value
+ self.assertAlmostEquals(float(abs) , 0.0741, 2)
+ self.assertAlmostEquals(float(incoh), 5.62, 2)
+ #Test length
+ self.assertAlmostEquals(float(length), 0.1755, 2)
+ #test Cu sld
+ self.assertAlmostEquals(float(cu_real), 9.46e-6, 1)
+ self.assertAlmostEquals(float(cu_im), 3.01e-8)
+ # test Mo sld
+ self.assertAlmostEquals(float(mo_real), 9.43e-6)
+ self.assertAlmostEquals(float(mo_im), 5.65e-7, 1)
+ #compute invariant with all correct inputs value
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.wavelength_ctl.SetValue(str(WAVELENGTH/2))
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ bkg = self.sld_frame.panel.wavelength_ctl.GetBackgroundColour()
+ value = self.sld_frame.panel.wavelength_ctl.GetValue()
+ self.assert_(bkg.GetAsString() == 'white')
+ self.assert_(float(value) == WAVELENGTH/2)
+
+ def testSomeCombination(self):
+ """
+ Test other error
+ """
+ #only wavelength is invalid
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue(str(H2O_DENSITY))
+ self.sld_frame.panel.wavelength_ctl.SetValue("invalid wavelength")
+ id = self.sld_frame.panel.button_calculate.GetId()
+ clickEvent = wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED, id)
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ cp_bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(cp_bkg.GetAsString() == 'white')
+ ds_bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(ds_bkg.GetAsString() == 'white')
+ wv_bkg = self.sld_frame.panel.wavelength_ctl.GetBackgroundColour()
+ self.assert_(wv_bkg.GetAsString() == 'pink')
+ #density, wavelength is invalid
+ self.sld_frame.panel.compound_ctl.SetValue("H2O")
+ self.sld_frame.panel.density_ctl.SetValue("invalid density")
+ self.sld_frame.panel.wavelength_ctl.SetValue("invalid wavelength")
+ id = self.sld_frame.panel.button_calculate.GetId()
+ clickEvent = wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED, id)
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ cp_bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(cp_bkg.GetAsString() == 'white')
+ ds_bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(ds_bkg.GetAsString() == 'pink')
+ wv_bkg = self.sld_frame.panel.wavelength_ctl.GetBackgroundColour()
+ self.assert_(wv_bkg.GetAsString() == 'pink')
+ #density, wavelength is invalid
+ self.sld_frame.panel.compound_ctl.SetValue("invalid compound")
+ self.sld_frame.panel.density_ctl.SetValue("invalid density")
+ self.sld_frame.panel.wavelength_ctl.SetValue("")
+ id = self.sld_frame.panel.button_calculate.GetId()
+ clickEvent = wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED, id)
+ self.sld_frame.panel.ProcessEvent(clickEvent)
+ cp_bkg = self.sld_frame.panel.compound_ctl.GetBackgroundColour()
+ self.assert_(cp_bkg.GetAsString() == 'pink')
+ ds_bkg = self.sld_frame.panel.density_ctl.GetBackgroundColour()
+ self.assert_(ds_bkg.GetAsString() == 'pink')
+ wv_bkg = self.sld_frame.panel.wavelength_ctl.GetBackgroundColour()
+ self.assert_(wv_bkg.GetAsString() == 'white')
+ value = self.sld_frame.panel.wavelength_ctl.GetValue()
+ self.assert_(float(value) == WAVELENGTH)
+
+
+
+ def tearDown(self):
+ """
+ Destroy the sld calculator frame
+ """
+ self.sld_frame.Close()
+ self.app.MainLoop()
+
+if __name__ == "__main__":
+ unittest.main()
diff --git a/test/calculatorview/test/utest_sld.py b/test/calculatorview/test/utest_sld.py
new file mode 100644
index 0000000..99a0895
--- /dev/null
+++ b/test/calculatorview/test/utest_sld.py
@@ -0,0 +1,148 @@
+
+import unittest
+
+_SCALE = 1e-6
+
+# the calculator default value for wavelength is 6
+import periodictable
+from periodictable import formula
+from periodictable.xsf import xray_energy, xray_sld_from_atoms
+from periodictable.constants import avogadro_number
+from periodictable.nsf import neutron_scattering, neutron_sld
+
+
+def calculate_xray_sld(element, density, molecule_formula):
+ """
+ Get an element and compute the corresponding SLD for a given formula
+ :param element: elements a string of existing atom
+ """
+ element_formula = formula(str(element))
+ if len(element_formula.atoms) != 1:
+ return
+ element = element_formula.atoms.keys()[0]
+ energy = xray_energy(element.K_alpha)
+ atom = molecule_formula.atoms
+ return xray_sld_from_atoms(atom, density=density, energy=energy)
+
+
+class TestH2O(unittest.TestCase):
+ """
+ Sld calculator test for H2O
+ """
+
+ def setUp(self):
+ """Inititialze variables"""
+
+ self.compound = "H2O"
+ self.density = 1.0
+ self.wavelength = 6.0
+ self.sld_formula = formula(self.compound, density=self.density)
+
+ def test_neutron_sld(self):
+ """
+ test sld
+ """
+ #Compute incoherence , absorption, and incoherence
+ (sld_real,sld_im,sld_inc), (coh,abs,incoh), length = neutron_scattering(self.compound,
+ density=self.density, wavelength=self.wavelength)
+ cu_real, cu_im = calculate_xray_sld(element="Cu", density=self.density,
+ molecule_formula=self.sld_formula)
+ mo_real, mo_im = calculate_xray_sld(element="Mo", density=self.density,
+ molecule_formula=self.sld_formula)
+ #test sld
+ self.assertAlmostEquals(sld_real * _SCALE, -5.6e-7, 1)
+ self.assertAlmostEquals(sld_im * _SCALE, 0)
+ #test absorption value
+ self.assertAlmostEquals(abs, 0.0741, 2)
+ self.assertAlmostEquals(incoh, 5.62, 2)
+ #Test length
+ self.assertAlmostEquals(length, 0.1755, 3)
+ #test Cu sld
+ self.assertAlmostEquals(cu_real * _SCALE, 9.46e-6, 1)
+ self.assertAlmostEquals(cu_im * _SCALE, 3.01e-8)
+ # test Mo sld
+ self.assertAlmostEquals(mo_real * _SCALE, 9.43e-6)
+ self.assertAlmostEquals(mo_im * _SCALE, 5.65e-7,1)
+
+
+class TestD2O(unittest.TestCase):
+ """
+ Sld calculator test for D2O
+ """
+
+ def setUp(self):
+ """Inititialze variables"""
+
+ self.compound = "D2O"
+ self.density = 1.1
+ self.wavelength = 6.0
+ self.sld_formula = formula(self.compound, density=self.density)
+
+ def test_neutron_sld(self):
+ """
+ test sld
+ """
+ #Compute incoherence , absorption, and incoherence
+ (sld_real,sld_im,sld_inc), (coh,abs,incoh), length = neutron_scattering(self.compound,
+ density=self.density, wavelength=self.wavelength)
+ cu_real, cu_im = calculate_xray_sld(element="Cu", density=self.density,
+ molecule_formula=self.sld_formula)
+ mo_real, mo_im = calculate_xray_sld(element="Mo", density=self.density,
+ molecule_formula=self.sld_formula)
+ #test sld
+ self.assertAlmostEquals(sld_real * _SCALE, 6.33e-6, 1)
+ self.assertAlmostEquals(sld_im * _SCALE, 0)
+ #test absorption value
+ self.assertAlmostEquals(abs, 1.35e-4, 2)
+ self.assertAlmostEquals(incoh, 0.138, 2)
+ #Test length
+ self.assertAlmostEquals(length, 1.549, 3)
+ #test Cu sld
+ self.assertAlmostEquals(cu_real * _SCALE, 9.36e-6, 1)
+ self.assertAlmostEquals(cu_im * _SCALE, 2.98e-8)
+ # test Mo sld
+ self.assertAlmostEquals(mo_real * _SCALE, 9.33e-6)
+ self.assertAlmostEquals(mo_im * _SCALE, 5.59e-9,1)
+
+
+class TestCd(unittest.TestCase):
+ """
+ Sld calculator test for Cd
+ """
+
+ def setUp(self):
+ """Inititialze variables"""
+ # the calculator default value for wavelength is 6
+ self.compound = "Cd"
+ self.density = 4.0
+ self.wavelength = 6.0
+ self.sld_formula = formula(self.compound, density=self.density)
+
+ def test_neutron_sld(self):
+ """
+ test sld
+ """
+ #Compute incoherence , absorption, and incoherence
+ (sld_real,sld_im,sld_inc), (coh,abs,incoh), length = neutron_scattering(self.compound,
+ density=self.density, wavelength=self.wavelength)
+ cu_real, cu_im = calculate_xray_sld(element="Cu", density=self.density,
+ molecule_formula=self.sld_formula)
+ mo_real, mo_im = calculate_xray_sld(element="Mo", density=self.density,
+ molecule_formula=self.sld_formula)
+ #test sld
+ self.assertAlmostEquals(sld_real * _SCALE, 1.04e-6, 1)
+ self.assertAlmostEquals(sld_im * _SCALE, -1.5e-7, 1)
+ #test absorption value
+ self.assertAlmostEquals(abs, 180.0,0)
+ self.assertAlmostEquals(incoh, 0.0754, 2)
+ #Test length
+ self.assertAlmostEquals(length, 0.005551, 4)
+ #test Cu sld
+ self.assertAlmostEquals(cu_real * _SCALE, 2.89e-5, 1)
+ self.assertAlmostEquals(cu_im * _SCALE, 2.81e-6)
+ # test Mo sld
+ self.assertAlmostEquals(mo_real * _SCALE, 2.84e-5, 1)
+ self.assertAlmostEquals(mo_im * _SCALE, 7.26e-7,1)
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/corfunc/test/98929.txt b/test/corfunc/test/98929.txt
new file mode 100644
index 0000000..e3c7c17
--- /dev/null
+++ b/test/corfunc/test/98929.txt
@@ -0,0 +1,140 @@
+0.007 2.11E+01
+0.009 6.91E+00
+0.011 3.30E+00
+0.013 1.95E+00
+0.015 1.37E+00
+0.017 9.86E-01
+0.019 8.56E-01
+0.021 8.00E-01
+0.023 7.40E-01
+0.025 7.03E-01
+0.027 6.65E-01
+0.029 6.67E-01
+0.031 6.63E-01
+0.033 6.90E-01
+0.035 6.97E-01
+0.037 7.13E-01
+0.039 7.02E-01
+0.041 7.49E-01
+0.043 7.58E-01
+0.045 7.84E-01
+0.047 8.41E-01
+0.049 8.84E-01
+0.051 9.26E-01
+0.053 9.74E-01
+0.055 1.02E+00
+0.057 1.06E+00
+0.059 1.09E+00
+0.061 1.11E+00
+0.063 1.16E+00
+0.065 1.16E+00
+0.067 1.17E+00
+0.069 1.15E+00
+0.071 1.15E+00
+0.073 1.13E+00
+0.075 1.11E+00
+0.077 1.07E+00
+0.079 1.04E+00
+0.081 1.03E+00
+0.083 9.79E-01
+0.085 9.27E-01
+0.087 8.77E-01
+0.089 8.38E-01
+0.091 8.00E-01
+0.093 7.68E-01
+0.095 7.24E-01
+0.097 6.80E-01
+0.099 6.45E-01
+0.101 6.18E-01
+0.103 5.87E-01
+0.105 5.70E-01
+0.107 5.51E-01
+0.109 5.40E-01
+0.111 5.23E-01
+0.113 4.99E-01
+0.115 4.84E-01
+0.117 4.69E-01
+0.119 4.54E-01
+0.121 4.44E-01
+0.123 4.37E-01
+0.125 4.32E-01
+0.127 4.27E-01
+0.129 4.26E-01
+0.131 4.16E-01
+0.133 4.13E-01
+0.135 4.11E-01
+0.137 4.05E-01
+0.139 4.03E-01
+0.141 4.01E-01
+0.143 4.01E-01
+0.145 3.95E-01
+0.147 3.86E-01
+0.149 3.79E-01
+0.151 3.80E-01
+0.153 3.74E-01
+0.155 3.71E-01
+0.157 3.68E-01
+0.159 3.72E-01
+0.161 3.69E-01
+0.163 3.69E-01
+0.165 3.66E-01
+0.167 3.59E-01
+0.169 3.56E-01
+0.171 3.58E-01
+0.173 3.57E-01
+0.175 3.57E-01
+0.177 3.51E-01
+0.179 3.55E-01
+0.181 3.59E-01
+0.183 3.51E-01
+0.185 3.48E-01
+0.187 3.43E-01
+0.189 3.46E-01
+0.191 3.49E-01
+0.193 3.41E-01
+0.195 3.44E-01
+0.197 3.38E-01
+0.199 3.41E-01
+0.201 3.39E-01
+0.203 3.38E-01
+0.205 3.37E-01
+0.207 3.33E-01
+0.209 3.28E-01
+0.211 3.27E-01
+0.213 3.23E-01
+0.215 3.23E-01
+0.217 3.27E-01
+0.219 3.30E-01
+0.221 3.33E-01
+0.223 3.33E-01
+0.225 3.28E-01
+0.227 3.26E-01
+0.229 3.19E-01
+0.231 3.11E-01
+0.233 3.12E-01
+0.235 3.02E-01
+0.237 3.12E-01
+0.239 3.23E-01
+0.241 3.24E-01
+0.243 3.45E-01
+0.245 3.49E-01
+0.247 3.50E-01
+0.249 3.55E-01
+0.251 3.50E-01
+0.253 3.47E-01
+0.255 3.47E-01
+0.257 3.18E-01
+0.259 3.10E-01
+0.261 2.90E-01
+0.263 2.80E-01
+0.265 2.90E-01
+0.267 3.09E-01
+0.269 3.04E-01
+0.271 3.36E-01
+0.273 3.17E-01
+0.275 3.19E-01
+0.277 2.94E-01
+0.279 3.11E-01
+0.281 2.21E-01
+0.283 1.66E-01
+0.285 1.62E-01
diff --git a/test/corfunc/test/utest_corfunc.py b/test/corfunc/test/utest_corfunc.py
new file mode 100644
index 0000000..c20c67e
--- /dev/null
+++ b/test/corfunc/test/utest_corfunc.py
@@ -0,0 +1,90 @@
+"""
+Unit Tests for CorfuncCalculator class
+"""
+
+import unittest
+import time
+import numpy as np
+from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator
+from sas.sascalc.dataloader.data_info import Data1D
+import matplotlib.pyplot as plt
+
+class TestCalculator(unittest.TestCase):
+
+ def setUp(self):
+ self.data = load_data()
+ self.calculator = CorfuncCalculator(data=self.data, lowerq=0.013,
+ upperq=(0.15, 0.24))
+ self.extrapolation = None
+
+ def extrapolate(self):
+ params, extrapolation = self.calculator.compute_extrapolation()
+
+ # Check the extrapolation parameters
+ self.assertAlmostEqual(params['A'], 4.19, places=2)
+ self.assertAlmostEqual(params['B'], -25470, places=0)
+ self.assertAlmostEqual(params['K'], 4.5e-5, places=2)
+ self.assertAlmostEqual(params['sigma'], 2.2e-10, places=2)
+
+ # Ensure the extraplation tends to the background value
+ self.assertAlmostEqual(extrapolation.y[-1], self.calculator.background)
+
+ # Test extrapolation for q values between 0.02 and 0.24
+ mask = np.logical_and(self.data.x > 0.02, self.data.x < 0.24)
+ qs = self.data.x[mask]
+ iqs = self.data.y[mask]
+
+ for q, iq in zip(qs, iqs):
+ # Find the q value in the extraplation nearest to the value in
+ # the data
+ q_extrap = min(extrapolation.x, key=lambda x:abs(x-q))
+ # Find the index of this value in the extrapolation
+ index = list(extrapolation.x).index(q_extrap)
+ # Find it's corresponding intensity value
+ iq_extrap = extrapolation.y[index]
+ # Check the extrapolation agrees to the data at this point to 1 d.p
+ self.assertAlmostEqual(iq_extrap, iq, 1)
+
+ self.extrapolation = extrapolation
+
+ def transform(self):
+ self.calculator.compute_transform(self.extrapolation, 'fourier',
+ completefn=self.transform_callback)
+ # Transform is performed asynchronously; give it time to run
+ while True:
+ time.sleep(0.001)
+ if not self.calculator.transform_isrunning():
+ break
+
+ def transform_callback(self, transform):
+ self.assertIsNotNone(transform)
+ self.assertAlmostEqual(transform.y[0], 1)
+ self.assertAlmostEqual(transform.y[-1], 0, 5)
+ self.transformation = transform
+
+ def extract_params(self):
+ params = self.calculator.extract_parameters(self.transformation)
+ self.assertIsNotNone(params)
+ self.assertEqual(len(params), 6)
+ self.assertLess(abs(params['max']-75), 2.5) # L_p ~= 75
+
+
+ # Ensure tests are ran in correct order;
+ # Each test depends on the one before it
+ def test_calculator(self):
+ steps = [self.extrapolate, self.transform, self.extract_params]
+ for test in steps:
+ try:
+ test()
+ except Exception as e:
+ self.fail("{} failed ({}: {})".format(test, type(e), e))
+
+
+def load_data(filename="98929.txt"):
+ data = np.loadtxt(filename, dtype=np.float32)
+ q = data[:,0]
+ iq = data[:,1]
+ return Data1D(x=q, y=iq)
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/fileconverter/test/cansas1d.xml b/test/fileconverter/test/cansas1d.xml
new file mode 100644
index 0000000..bebb95b
--- /dev/null
+++ b/test/fileconverter/test/cansas1d.xml
@@ -0,0 +1,141 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>Test title</Title>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">0.02</Q>
+ <I unit="1/cm">1000</I>
+ <Idev unit="1/cm">3</Idev>
+ <Qdev unit="1/A">0.01</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.03</Q>
+ <I unit="1/cm">1001</I>
+ <Idev unit="1/cm">4</Idev>
+ <Qdev unit="1/A">0.02</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="mm">1.03</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">22.5<!-- was: sample_orientation --></roll>
+ <pitch unit="degree">0.020<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="mm">12.00</x>
+ <y unit="mm">13.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_min unit="nm">0.22</wavelength_min>
+ <wavelength_max unit="nm">1.00</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='mm'> 123.0</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="mm">50</x>
+ </size>
+ <distance unit="m">11.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="mm">1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="mm">1</x>
+ <y unit="mm">2</y>
+ </offset>
+ <orientation>
+ <roll unit="degree">1.00</roll>
+ <pitch unit="degree">0.00</pitch>
+ <yaw unit="degree">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="mm">322.64</x>
+ <y unit="mm">327.68</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">5.00</x>
+ <y unit="mm">5.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="degree">180.0</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote>No Information</SASprocessnote>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/fileconverter/test/exp18_14_igor_2dqxqy.dat b/test/fileconverter/test/exp18_14_igor_2dqxqy.dat
new file mode 100644
index 0000000..af748b4
--- /dev/null
+++ b/test/fileconverter/test/exp18_14_igor_2dqxqy.dat
@@ -0,0 +1,36883 @@
+FILE: HiResSANS_exp18_scan0014_0001.xml CREATED: Mon, Feb 22, 2010 5:36:16 PM
+LABEL: Scatt 3m 6A cho
+MON CNT LAMBDA (A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+1e+08 6 0 3 1 0
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+21.167 95.978 0 4 17.495 0.1 76 HiResSANS
+SAM: HiResSANS_exp18_scan0014_0001.xml
+BGD: Unknown file from Average_Panel
+EMP: Unknown file from Average_Panel
+DIV: Unknown file from Average_Panel
+MASK: Unknown file from Average_Panel
+ABS Parameters (3-6): Unknown file from Average_Panel
+Average Choices: Unknown file from Average_Panel
+
+*** Data written from COR folder and may not be a fully corrected data file ***
+Data columns are Qx - Qy - I(Qx,Qy) - Qz - SigmaQx - SigmaQy - fSubS(beam stop shadow)
+
+ASCII data created Mon, Feb 22, 2010 5:39:51 PM
+
+-0.03573497 -0.1682965 20745.36 0.01422998 0 0 0
+-0.03396493 -0.168306 19341.58 0.01417181 0 0 0
+-0.0321946 -0.168315 16256.52 0.01411658 0 0 0
+-0.03042399 -0.1683235 22140.47 0.01406431 0 0 0
+-0.02865312 -0.1683315 16814.12 0.01401499 0 0 0
+-0.02688201 -0.1683391 18494.12 0.01396862 0 0 0
+-0.02511066 -0.1683462 16251.27 0.01392521 0 0 0
+-0.0233391 -0.1683528 17370.97 0.01388475 0 0 0
+-0.02156734 -0.1683589 19611.32 0.01384725 0 0 0
+-0.01979539 -0.1683645 20170.69 0.0138127 0 0 0
+-0.01802327 -0.1683697 17088.38 0.01378111 0 0 0
+-0.016251 -0.1683743 17648.08 0.01375248 0 0 0
+-0.01447859 -0.1683785 16527.16 0.01372681 0 0 0
+-0.01270605 -0.1683822 19888.27 0.0137041 0 0 0
+-0.0109334 -0.1683854 21288.65 0.01368435 0 0 0
+-0.009160664 -0.1683881 16806.79 0.01366757 0 0 0
+-0.007387845 -0.1683904 18767.68 0.01365374 0 0 0
+-0.005614963 -0.1683922 16526.97 0.01364288 0 0 0
+-0.003842033 -0.1683934 17927.92 0.01363498 0 0 0
+-0.002069069 -0.1683943 17088.02 0.01363004 0 0 0
+-0.0002960882 -0.1683946 13726.92 0.01362806 0 0 0
+0.001476896 -0.1683944 19330.57 0.01362905 0 0 0
+0.003249867 -0.1683938 17650.53 0.013633 0 0 0
+0.00502281 -0.1683926 14849.71 0.01363991 0 0 0
+0.006795709 -0.168391 15411.08 0.01364978 0 0 0
+0.008568551 -0.1683889 18214.41 0.01366262 0 0 0
+0.01034132 -0.1683864 17094.89 0.01367842 0 0 0
+0.012114 -0.1683833 24103.1 0.01369718 0 0 0
+0.01388657 -0.1683798 17938.89 0.0137189 0 0 0
+0.01565903 -0.1683758 16819.43 0.01374358 0 0 0
+0.01743135 -0.1683713 15419.5 0.01377122 0 0 0
+0.01920352 -0.1683663 19907.5 0.01380182 0 0 0
+0.02097553 -0.1683608 15142.8 0.01383538 0 0 0
+0.02274735 -0.1683549 19071.23 0.01387189 0 0 0
+0.02451898 -0.1683484 17671.4 0.01391137 0 0 0
+0.0262904 -0.1683415 18796.16 0.01395379 0 0 0
+0.02806159 -0.1683341 19079.64 0.01399918 0 0 0
+0.02983255 -0.1683262 19363.36 0.01404751 0 0 0
+0.03160324 -0.1683179 18243.93 0.0140988 0 0 0
+0.03337367 -0.168309 19370.06 0.01415303 0 0 0
+0.03514381 -0.1682997 19654.4 0.01421022 0 0 0
+0.03691365 -0.1682899 23589.79 0.01427035 0 0 0
+0.03868317 -0.1682797 18257.64 0.01433344 0 0 0
+0.04045236 -0.1682689 18261.41 0.01439946 0 0 0
+0.0422212 -0.1682577 16860.29 0.01446843 0 0 0
+0.04398968 -0.1682459 20236.82 0.01454034 0 0 0
+0.04575778 -0.1682338 17149.01 0.01461519 0 0 0
+0.0475255 -0.1682211 21371.02 0.01469297 0 0 0
+0.0492928 -0.1682079 19688.63 0.01477369 0 0 0
+0.05105968 -0.1681943 16880.2 0.01485735 0 0 0
+0.05282613 -0.1681802 16321.74 0.01494393 0 0 0
+0.05459212 -0.1681656 24207.63 0.01503345 0 0 0
+0.05635764 -0.1681505 14922.73 0.01512589 0 0 0
+0.05812269 -0.168135 19996.44 0.01522125 0 0 0
+0.05988724 -0.168119 22537.68 0.01531954 0 0 0
+0.06165127 -0.1681025 18317.27 0.01542074 0 0 0
+0.06341478 -0.1680855 15503.92 0.01552487 0 0 0
+0.06517775 -0.1680681 20302.33 0.0156319 0 0 0
+0.06694017 -0.1680502 18052.24 0.01574185 0 0 0
+0.068702 -0.1680318 18904.57 0.01585471 0 0 0
+0.07046326 -0.1680129 18910.85 0.01597047 0 0 0
+0.07222392 -0.1679936 18917.27 0.01608914 0 0 0
+0.07398396 -0.1679738 22030.72 0.0162107 0 0 0
+0.07574337 -0.1679535 16387.62 0.01633516 0 0 0
+0.07750213 -0.1679328 16958.84 0.01646252 0 0 0
+0.07926024 -0.1679116 20640.86 0.01659276 0 0 0
+0.08101767 -0.1678899 22345.77 0.01672589 0 0 0
+0.08277442 -0.1678677 19807.64 0.01686191 0 0 0
+0.08453046 -0.1678451 20381.53 0.0170008 0 0 0
+0.08628578 -0.167822 19256.88 0.01714257 0 0 0
+0.08804037 -0.1677984 14448.51 0.01728722 0 0 0
+0.08979422 -0.1677744 20122.89 0.01743473 0 0 0
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diff --git a/test/fileconverter/test/export2d.h5 b/test/fileconverter/test/export2d.h5
new file mode 100644
index 0000000..38ebacf
Binary files /dev/null and b/test/fileconverter/test/export2d.h5 differ
diff --git a/test/fileconverter/test/utest_nxcansas_writer.py b/test/fileconverter/test/utest_nxcansas_writer.py
new file mode 100644
index 0000000..98a22e8
--- /dev/null
+++ b/test/fileconverter/test/utest_nxcansas_writer.py
@@ -0,0 +1,67 @@
+from sas.sascalc.file_converter.nxcansas_writer import NXcanSASWriter
+from sas.sascalc.dataloader.readers.cansas_reader import Reader as XMLReader
+from sas.sascalc.dataloader.readers.red2d_reader import Reader as DATReader
+from sas.sascalc.dataloader.readers.cansas_reader_HDF5 import Reader as HDF5Reader
+
+import os
+import pylint
+import unittest
+import warnings
+
+warnings.simplefilter("ignore")
+
+class nxcansas_writer(unittest.TestCase):
+
+ def setUp(self):
+ self.writer = NXcanSASWriter()
+ self.read_file_1d = "cansas1d.xml"
+ self.write_file_1d = "export1d.h5"
+ self.read_file_2d = "exp18_14_igor_2dqxqy.dat"
+ self.write_file_2d = "export2d.h5"
+ self.hdf5_reader = HDF5Reader()
+
+ xml_reader = XMLReader()
+ self.data_1d = xml_reader.read(self.read_file_1d)[0]
+
+ dat_reader = DATReader()
+ self.data_2d = dat_reader.read(self.read_file_2d)
+ self.data_2d.detector[0].name = ''
+ self.data_2d.source.radiation = 'neutron'
+
+ def test_write_1d(self):
+ self.writer.write([self.data_1d], self.write_file_1d)
+ data = self.hdf5_reader.read(self.write_file_1d)
+ self.assertTrue(len(data) == 1)
+ data = data[0]
+ self.assertTrue(len(data.x) == len(self.data_1d.x))
+ self.assertTrue(len(data.y) == len(self.data_1d.y))
+ self.assertTrue(len(data.dy) == len(self.data_1d.dy))
+ self._check_metadata(data, self.data_1d)
+
+ def test_write_2d(self):
+ self.writer.write([self.data_2d], self.write_file_2d)
+ data = self.hdf5_reader.read(self.write_file_2d)
+ self.assertTrue(len(data) == 1)
+ data = data[0]
+ self.assertTrue(len(data.data) == len(self.data_2d.data))
+ self.assertTrue(len(data.qx_data) == len(self.data_2d.qx_data))
+ self.assertTrue(len(data.qy_data) == len(self.data_2d.qy_data))
+ self._check_metadata(data, self.data_2d)
+
+ def _check_metadata(self, written, correct):
+ self.assertTrue(written.title == correct.title)
+ self.assertTrue(written.sample.name == correct.sample.name)
+ self.assertAlmostEqual(written.sample.thickness, correct.sample.thickness)
+ self.assertAlmostEqual(written.sample.temperature, correct.sample.temperature)
+ self.assertTrue(written.instrument == correct.instrument)
+ self.assertTrue(len(written.detector) == len(correct.detector))
+ for i in range(len(written.detector)):
+ written_det = written.detector[i]
+ correct_det = correct.detector[i]
+ self.assertAlmostEqual(written_det.distance, correct_det.distance)
+ self.assertTrue(written_det.name == correct_det.name)
+ self.assertTrue(written.source.radiation == correct.source.radiation)
+
+ def tearDown(self):
+ if os.path.isfile(self.write_file_1d):
+ os.remove(self.write_file_1d)
diff --git a/test/pr_inversion/test/data_error_1.txt b/test/pr_inversion/test/data_error_1.txt
new file mode 100644
index 0000000..33178e0
--- /dev/null
+++ b/test/pr_inversion/test/data_error_1.txt
@@ -0,0 +1,87 @@
+<X> <Y> <dY>
+0.00231958 84.0171 -9.16608
+0.00259247 73.6644 -8.5828
+0.00286536 49.8047 -7.05724
+0.00313824 34.2893 5.85571
+0.00341113 24.1324 4.91248
+0.00368401 17.1548 4.14184
+0.0039569 12.0308 3.46855
+0.00422978 8.62062 2.93609
+0.00450266 6.40114 2.53005
+0.00477555 4.7518 2.17986
+0.00504842 3.58955 1.89461
+0.0053213 3.0119 1.73548
+0.00559418 2.39727 1.54831
+0.00586705 2.0773 1.44128
+0.00613993 1.65804 1.28765
+0.0064128 1.32639 1.15169
+0.00668567 1.23667 1.11206
+0.00695853 1.06648 1.0327
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diff --git a/test/pr_inversion/test/data_error_2.txt b/test/pr_inversion/test/data_error_2.txt
new file mode 100644
index 0000000..5b1e771
--- /dev/null
+++ b/test/pr_inversion/test/data_error_2.txt
@@ -0,0 +1,87 @@
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diff --git a/test/pr_inversion/test/data_error_3.txt b/test/pr_inversion/test/data_error_3.txt
new file mode 100644
index 0000000..a3f970a
--- /dev/null
+++ b/test/pr_inversion/test/data_error_3.txt
@@ -0,0 +1,87 @@
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diff --git a/test/pr_inversion/test/data_error_4.txt b/test/pr_inversion/test/data_error_4.txt
new file mode 100644
index 0000000..b5e9653
--- /dev/null
+++ b/test/pr_inversion/test/data_error_4.txt
@@ -0,0 +1,87 @@
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diff --git a/test/pr_inversion/test/data_error_5.txt b/test/pr_inversion/test/data_error_5.txt
new file mode 100644
index 0000000..14c7ac8
--- /dev/null
+++ b/test/pr_inversion/test/data_error_5.txt
@@ -0,0 +1,87 @@
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diff --git a/test/pr_inversion/test/data_error_6.txt b/test/pr_inversion/test/data_error_6.txt
new file mode 100644
index 0000000..1448f8c
--- /dev/null
+++ b/test/pr_inversion/test/data_error_6.txt
@@ -0,0 +1,87 @@
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+0.0113241 0.214241 0.462862
+0.0115969 0.186748 0.432143
+0.0118697 0.161051 0.401312
+0.0121425 0.184622 0.429676
+0.0124153 0.168442 0.410417
+0.0126881 0.156892 0.396095
+0.0129609 0.148072 0.384801
+0.0132337 0.147115 0.383556
+0.0135065 0.168421 0.410392
+0.0137793 0.127737 0.357404
+0.0140521 0.128569 0.358565
+0.0143249 0.138782 0.372535
+0.0145977 0.161172 0.401462
+0.0148704 0.117663 0.343021
+0.0151432 0.136941 0.370056
+0.015416 0.149982 0.387275
+0.0156887 0.11796 0.343454
+0.0159615 0.104142 0.32271
+0.0162342 0.11449 0.338363
+0.016507 0.107782 0.328301
+0.0167797 0.126445 0.355591
+0.0170525 0.108571 0.329501
+0.0173252 0.114721 0.338705
+0.0175979 0.100336 0.316758
+0.0178706 0.119656 0.345913
+0.0181433 0.0821055 0.28654
+0.0184161 0.0929812 0.304928
+0.0186888 0.123417 0.351307
+0.0189615 0.0936499 0.306023
+0.0192341 0.104339 0.323015
+0.0195068 0.102485 0.320134
+0.0197795 0.0952812 0.308677
+0.0200522 0.0582846 0.241422
+0.0203249 0.111761 0.334307
+0.0205975 0.0842643 0.290283
+0.0208702 0.10902 0.330182
+0.0211428 0.0663487 0.257583
+0.0214155 0.109861 0.331453
+0.0216881 0.104081 0.322615
+0.0219607 0.084819 0.291237
+0.0222334 0.135506 0.368111
+0.022506 0.117578 0.342897
+0.0227786 0.0973008 0.311931
+0.0230512 0.107357 0.327654
+0.0233238 0.103988 0.322472
+0.0235964 0.0519642 0.227957
+0.023869 0.0703513 0.265238
+0.0241415 0.0653181 0.255574
+0.0244141 0.0094026 0.096967
+0.0246867 0.0754079 0.274605
+0.0249592 0.266365 0.516105
+0.0252318 0.166849 0.408472
+0.0255043 0.199736 0.446918
diff --git a/test/pr_inversion/test/sphere_80.txt b/test/pr_inversion/test/sphere_80.txt
new file mode 100644
index 0000000..8daac29
--- /dev/null
+++ b/test/pr_inversion/test/sphere_80.txt
@@ -0,0 +1,100 @@
+<X> <Y>
+0.0010101 2.14186e+008
+0.0020202 2.13348e+008
+0.0030303 2.11958e+008
+0.0040404 2.10025e+008
+0.00505051 2.07561e+008
+0.00606061 2.04584e+008
+0.00707071 2.01112e+008
+0.00808081 1.97169e+008
+0.00909091 1.92781e+008
+0.010101 1.87975e+008
+0.0111111 1.82783e+008
+0.0121212 1.77237e+008
+0.0131313 1.71373e+008
+0.0141414 1.65226e+008
+0.0151515 1.58833e+008
+0.0161616 1.52233e+008
+0.0171717 1.45465e+008
+0.0181818 1.38567e+008
+0.0191919 1.31578e+008
+0.020202 1.24536e+008
+0.0212121 1.17479e+008
+0.0222222 1.10442e+008
+0.0232323 1.03461e+008
+0.0242424 9.65692e+007
+0.0252525 8.97973e+007
+0.0262626 8.31748e+007
+0.0272727 7.67288e+007
+0.0282828 7.04839e+007
+0.0292929 6.4462e+007
+0.030303 5.86828e+007
+0.0313131 5.31627e+007
+0.0323232 4.79158e+007
+0.0333333 4.29533e+007
+0.0343434 3.82836e+007
+0.0353535 3.39126e+007
+0.0363636 2.98434e+007
+0.0373737 2.60768e+007
+0.0383838 2.2611e+007
+0.0393939 1.9442e+007
+0.040404 1.65639e+007
+0.0414141 1.39687e+007
+0.0424242 1.16467e+007
+0.0434343 9.58662e+006
+0.0444444 7.77602e+006
+0.0454545 6.20118e+006
+0.0464646 4.84751e+006
+0.0474747 3.69971e+006
+0.0484848 2.74197e+006
+0.0494949 1.95815e+006
+0.0505051 1.33203e+006
+0.0515152 847402
+0.0525253 488319
+0.0535354 239201
+0.0545455 84994.7
+0.0555556 11292.7
+0.0565657 4445.63
+0.0575758 51653.5
+0.0585859 141041
+0.059596 261717
+0.0606061 403816
+0.0616162 558522
+0.0626263 718084
+0.0636364 875805
+0.0646465 1.02603e+006
+0.0656566 1.1641e+006
+0.0666667 1.28634e+006
+0.0676768 1.38998e+006
+0.0686869 1.47309e+006
+0.069697 1.53454e+006
+0.0707071 1.57391e+006
+0.0717172 1.59141e+006
+0.0727273 1.5878e+006
+0.0737374 1.5643e+006
+0.0747475 1.52256e+006
+0.0757576 1.46449e+006
+0.0767677 1.39227e+006
+0.0777778 1.30823e+006
+0.0787879 1.21477e+006
+0.079798 1.11433e+006
+0.0808081 1.00933e+006
+0.0818182 902079
+0.0828283 794770
+0.0838384 689421
+0.0848485 587856
+0.0858586 491670
+0.0868687 402219
+0.0878788 320609
+0.0888889 247687
+0.089899 184050
+0.0909091 130047
+0.0919192 85790.3
+0.0929293 51176.4
+0.0939394 25900.5
+0.0949495 9481.12
+0.0959596 1283.93
+0.0969697 547.497
+0.0979798 6409.98
+0.0989899 17935.9
+0.1 34142.4
diff --git a/test/pr_inversion/test/sphere_test_data.txt b/test/pr_inversion/test/sphere_test_data.txt
new file mode 100644
index 0000000..f535ad2
--- /dev/null
+++ b/test/pr_inversion/test/sphere_test_data.txt
@@ -0,0 +1,51 @@
+<q> <I_1D>
+0.01 1.30173e+008
+0.02 9.59565e+007
+0.03 5.57754e+007
+0.04 2.37208e+007
+0.05 6.0257e+006
+0.06 332209
+0.07 335963
+0.08 1.03749e+006
+0.09 816241
+0.1 234630
+0.11 230.644
+0.12 100168
+0.13 182129
+0.14 111803
+0.15 16326.8
+0.16 6931.71
+0.17 45283.6
+0.18 50971.8
+0.19 19812.5
+0.2 146.532
+0.21 9676.19
+0.22 21749.2
+0.23 15602.5
+0.24 2700.12
+0.25 1044.09
+0.26 8110.76
+0.27 10054.2
+0.28 4251.65
+0.29 38.5548
+0.3 2295.45
+0.31 5499.87
+0.32 4158.67
+0.33 752.025
+0.34 308.434
+0.35 2475.65
+0.36 3174.91
+0.37 1380.1
+0.38 11.2373
+0.39 815.932
+0.4 1988.73
+0.41 1531.36
+0.42 276.75
+0.43 127.297
+0.44 1001.82
+0.45 1297.13
+0.46 566.229
+0.47 3.50245
+0.48 365.098
+0.49 887.09
+0.5 684.787
diff --git a/test/pr_inversion/test/utest_explorer.py b/test/pr_inversion/test/utest_explorer.py
new file mode 100644
index 0000000..ec0fa14
--- /dev/null
+++ b/test/pr_inversion/test/utest_explorer.py
@@ -0,0 +1,34 @@
+"""
+ Unit tests for DistExplorer class
+"""
+
+import unittest, math, numpy
+from utest_invertor import load
+from sas.sascalc.pr.invertor import Invertor
+from sas.sascalc.pr.distance_explorer import DistExplorer
+
+class TestExplorer(unittest.TestCase):
+
+ def setUp(self):
+ self.invertor = Invertor()
+ x, y, err = load('sphere_80.txt')
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = .0007
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ self.invertor.nfunc = 15
+
+ self.explo = DistExplorer(self.invertor)
+
+ def test_exploration(self):
+ results = self.explo(120, 200, 25)
+ self.assertEqual(len(results.errors), 0)
+ self.assertEqual(len(results.chi2), 25)
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/pr_inversion/test/utest_invertor.py b/test/pr_inversion/test/utest_invertor.py
new file mode 100644
index 0000000..f6f0145
--- /dev/null
+++ b/test/pr_inversion/test/utest_invertor.py
@@ -0,0 +1,600 @@
+"""
+ Unit tests for Invertor class
+"""
+# Disable "missing docstring" complaint
+# pylint: disable-msg=C0111
+# Disable "too many methods" complaint
+# pylint: disable-msg=R0904
+
+
+import unittest, math, numpy
+from sas.sascalc.pr.invertor import Invertor
+
+class TestFiguresOfMerit(unittest.TestCase):
+
+ def setUp(self):
+ self.invertor = Invertor()
+ self.invertor.d_max = 100.0
+
+ # Test array
+ self.ntest = 5
+ self.x_in = numpy.ones(self.ntest)
+ for i in range(self.ntest):
+ self.x_in[i] = 1.0*(i+1)
+
+ x, y, err = load("sphere_80.txt")
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = .0007
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ #out, cov = self.invertor.invert(10)
+
+ self.out, self.cov = self.invertor.lstsq(10)
+
+ def test_positive(self):
+ """
+ Test whether P(r) is positive
+ """
+ self.assertEqual(self.invertor.get_positive(self.out), 1)
+
+ def test_positive_err(self):
+ """
+ Test whether P(r) is at least 1 sigma greater than zero
+ for all r-values
+ """
+ self.assertTrue(self.invertor.get_pos_err(self.out, self.cov)>0.9)
+
+class TestBasicComponent(unittest.TestCase):
+
+ def setUp(self):
+ self.invertor = Invertor()
+ self.invertor.d_max = 100.0
+
+ # Test array
+ self.ntest = 5
+ self.x_in = numpy.ones(self.ntest)
+ for i in range(self.ntest):
+ self.x_in[i] = 1.0*(i+1)
+
+ def test_has_bck_flag(self):
+ """
+ Tests the has_bck flag operations
+ """
+ self.assertEqual(self.invertor.has_bck, False)
+ self.invertor.has_bck=True
+ self.assertEqual(self.invertor.has_bck, True)
+ def doit_float():
+ self.invertor.has_bck = 2.0
+ def doit_str():
+ self.invertor.has_bck = 'a'
+
+ self.assertRaises(ValueError, doit_float)
+ self.assertRaises(ValueError, doit_str)
+
+
+ def testset_dmax(self):
+ """
+ Set and read d_max
+ """
+ value = 15.0
+ self.invertor.d_max = value
+ self.assertEqual(self.invertor.d_max, value)
+
+ def testset_alpha(self):
+ """
+ Set and read alpha
+ """
+ value = 15.0
+ self.invertor.alpha = value
+ self.assertEqual(self.invertor.alpha, value)
+
+ def testset_x_1(self):
+ """
+ Setting and reading the x array the hard way
+ """
+ # Set x
+ self.invertor.x = self.x_in
+
+ # Read it back
+ npts = self.invertor.get_nx()
+ x_out = numpy.ones(npts)
+
+ self.invertor.get_x(x_out)
+
+ for i in range(self.ntest):
+ self.assertEqual(self.x_in[i], x_out[i])
+
+ def testset_x_2(self):
+ """
+ Setting and reading the x array the easy way
+ """
+ # Set x
+ self.invertor.x = self.x_in
+
+ # Read it back
+ x_out = self.invertor.x
+
+ for i in range(self.ntest):
+ self.assertEqual(self.x_in[i], x_out[i])
+
+ def testset_y(self):
+ """
+ Setting and reading the y array the easy way
+ """
+ # Set y
+ self.invertor.y = self.x_in
+
+ # Read it back
+ y_out = self.invertor.y
+
+ for i in range(self.ntest):
+ self.assertEqual(self.x_in[i], y_out[i])
+
+ def testset_err(self):
+ """
+ Setting and reading the err array the easy way
+ """
+ # Set err
+ self.invertor.err = self.x_in
+
+ # Read it back
+ err_out = self.invertor.err
+
+ for i in range(self.ntest):
+ self.assertEqual(self.x_in[i], err_out[i])
+
+ def test_iq(self):
+ """
+ Test iq calculation
+ """
+ q = 0.11
+ v1 = 8.0*math.pi**2/q * self.invertor.d_max *math.sin(q*self.invertor.d_max)
+ v1 /= ( math.pi**2 - (q*self.invertor.d_max)**2.0 )
+
+ pars = numpy.ones(1)
+ self.assertAlmostEqual(self.invertor.iq(pars, q), v1, 2)
+
+ def test_pr(self):
+ """
+ Test pr calculation
+ """
+ r = 10.0
+ v1 = 2.0*r*math.sin(math.pi*r/self.invertor.d_max)
+ pars = numpy.ones(1)
+ self.assertAlmostEqual(self.invertor.pr(pars, r), v1, 2)
+
+ def test_getsetters(self):
+ self.invertor.new_data = 1.0
+ self.assertEqual(self.invertor.new_data, 1.0)
+
+ self.assertEqual(self.invertor.test_no_data, None)
+
+ def test_slitsettings(self):
+ self.invertor.slit_width = 1.0
+ self.assertEqual(self.invertor.slit_width, 1.0)
+ self.invertor.slit_height = 2.0
+ self.assertEqual(self.invertor.slit_height, 2.0)
+
+
+ def test_inversion(self):
+ """
+ Test an inversion for which we know the answer
+ """
+ x, y, err = load("sphere_80.txt")
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = 1e-7
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ out, cov = self.invertor.invert_optimize(10)
+ #out, cov = self.invertor.invert(10)
+ # This is a very specific case
+ # We should make sure it always passes
+ self.assertTrue(self.invertor.chi2/len(x)<200.00)
+
+ # Check the computed P(r) with the theory
+ # for shpere of radius 80
+ x = numpy.arange(0.01, self.invertor.d_max, self.invertor.d_max/51.0)
+ y = numpy.zeros(len(x))
+ dy = numpy.zeros(len(x))
+ y_true = numpy.zeros(len(x))
+
+ sum = 0.0
+ sum_true = 0.0
+ for i in range(len(x)):
+ #y[i] = self.invertor.pr(out, x[i])
+ (y[i], dy[i]) = self.invertor.pr_err(out, cov, x[i])
+ sum += y[i]
+ if x[i]<80.0:
+ y_true[i] = pr_theory(x[i], 80.0)
+ else:
+ y_true[i] = 0
+ sum_true += y_true[i]
+
+ y = y/sum*self.invertor.d_max/len(x)
+ dy = dy/sum*self.invertor.d_max/len(x)
+ y_true = y_true/sum_true*self.invertor.d_max/len(x)
+
+ chi2 = 0.0
+ for i in range(len(x)):
+ res = (y[i]-y_true[i])/dy[i]
+ chi2 += res*res
+
+ try:
+ self.assertTrue(chi2/51.0<10.0)
+ except:
+ print "chi2 =", chi2/51.0
+ raise
+
+ def test_lstsq(self):
+ """
+ Test an inversion for which we know the answer
+ """
+ x, y, err = load("sphere_80.txt")
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = .005
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ #out, cov = self.invertor.invert(10)
+
+ out, cov = self.invertor.lstsq(10)
+
+
+ # This is a very specific case
+ # We should make sure it always passes
+ try:
+ self.assertTrue(self.invertor.chi2/len(x)<200.00)
+ except:
+ print "Chi2(I(q)) =", self.invertor.chi2/len(x)
+ raise
+
+ # Check the computed P(r) with the theory
+ # for shpere of radius 80
+ x = numpy.arange(0.01, self.invertor.d_max, self.invertor.d_max/51.0)
+ y = numpy.zeros(len(x))
+ dy = numpy.zeros(len(x))
+ y_true = numpy.zeros(len(x))
+
+ sum = 0.0
+ sum_true = 0.0
+ for i in range(len(x)):
+ #y[i] = self.invertor.pr(out, x[i])
+ (y[i], dy[i]) = self.invertor.pr_err(out, cov, x[i])
+ sum += y[i]
+ if x[i]<80.0:
+ y_true[i] = pr_theory(x[i], 80.0)
+ else:
+ y_true[i] = 0
+ sum_true += y_true[i]
+
+ y = y/sum*self.invertor.d_max/len(x)
+ dy = dy/sum*self.invertor.d_max/len(x)
+ y_true = y_true/sum_true*self.invertor.d_max/len(x)
+
+ chi2 = 0.0
+ for i in range(len(x)):
+ res = (y[i]-y_true[i])/dy[i]
+ chi2 += res*res
+
+ try:
+ self.assertTrue(chi2/51.0<50.0)
+ except:
+ print "chi2(P(r)) =", chi2/51.0
+ raise
+
+ # Test the number of peaks
+ self.assertEqual(self.invertor.get_peaks(out), 1)
+
+ def test_q_zero(self):
+ """
+ Test error condition where a point has q=0
+ """
+ x, y, err = load("sphere_80.txt")
+ x[0] = 0.0
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = 1e-7
+ # Set data
+ def doit():
+ self.invertor.x = x
+ self.assertRaises(ValueError, doit)
+
+
+ def test_q_neg(self):
+ """
+ Test error condition where a point has q<0
+ """
+ x, y, err = load("sphere_80.txt")
+ x[0] = -0.2
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = 1e-7
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ out, cov = self.invertor.invert(4)
+
+ try:
+ self.assertTrue(self.invertor.chi2>0)
+ except:
+ print "Chi2 =", self.invertor.chi2
+ raise
+
+ def test_Iq_zero(self):
+ """
+ Test error condition where a point has q<0
+ """
+ x, y, err = load("sphere_80.txt")
+ y[0] = 0.0
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = 1e-7
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ out, cov = self.invertor.invert(4)
+
+ try:
+ self.assertTrue(self.invertor.chi2>0)
+ except:
+ print "Chi2 =", self.invertor.chi2
+ raise
+
+ def no_test_time(self):
+ x, y, err = load("sphere_80.txt")
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = 1e-7
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+
+ # time scales like nfunc**2
+ # on a Lenovo Intel Core 2 CPU T7400 @ 2.16GHz,
+ # I get time/(nfunc)**2 = 0.022 sec
+
+ out, cov = self.invertor.invert(15)
+ t16 = self.invertor.elapsed
+
+ out, cov = self.invertor.invert(30)
+ t30 = self.invertor.elapsed
+
+ t30s = t30/30.0**2
+ self.assertTrue( (t30s-t16/16.0**2)/t30s <1.2 )
+
+ def test_clone(self):
+ self.invertor.x = self.x_in
+ clone = self.invertor.clone()
+
+ for i in range(len(self.x_in)):
+ self.assertEqual(self.x_in[i], clone.x[i])
+
+ def test_save(self):
+ x, y, err = load("sphere_80.txt")
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = .0007
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+
+ out, cov = self.invertor.lstsq(10)
+
+ # Save
+ self.invertor.to_file("test_output.txt")
+
+ # Load
+ self.invertor.from_file("test_output.txt")
+ self.assertEqual(self.invertor.d_max, 160.0)
+ self.assertEqual(self.invertor.alpha, 0.0007)
+ self.assertEqual(self.invertor.chi2, 836.797)
+ self.assertAlmostEqual(self.invertor.pr(self.invertor.out, 10.0), 903.31577041, 4)
+
+ def test_qmin(self):
+ self.invertor.q_min = 1.0
+ self.assertEqual(self.invertor.q_min, 1.0)
+
+ self.invertor.q_min = None
+ self.assertEqual(self.invertor.q_min, None)
+
+
+ def test_qmax(self):
+ self.invertor.q_max = 1.0
+ self.assertEqual(self.invertor.q_max, 1.0)
+
+ self.invertor.q_max = None
+ self.assertEqual(self.invertor.q_max, None)
+
+class TestErrorConditions(unittest.TestCase):
+
+ def setUp(self):
+ self.invertor = Invertor()
+ self.invertor.d_max = 100.0
+
+ # Test array
+ self.ntest = 5
+ self.x_in = numpy.ones(self.ntest)
+ for i in range(self.ntest):
+ self.x_in[i] = 1.0*(i+1)
+
+ def test_negative_errs(self):
+ """
+ Test an inversion for which we know the answer
+ """
+ x, y, err = load("data_error_1.txt")
+
+ # Choose the right d_max...
+ self.invertor.d_max = 160.0
+ # Set a small alpha
+ self.invertor.alpha = .0007
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+
+ out, cov = self.invertor.lstsq(10)
+
+ def test_zero_errs(self):
+ """
+ Have zero as an error should raise an exception
+ """
+ x, y, err = load("data_error_2.txt")
+
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ self.assertRaises(RuntimeError, self.invertor.invert, 10)
+
+ def test_invalid(self):
+ """
+ Test an inversion for which we know the answer
+ """
+ x, y, err = load("data_error_1.txt")
+
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ err = numpy.zeros(len(x)-1)
+ self.invertor.err = err
+ # Perform inversion
+ self.assertRaises(RuntimeError, self.invertor.invert, 10)
+
+
+ def test_zero_q(self):
+ """
+ One of the q-values is zero.
+ An exception should be raised.
+ """
+ x, y, err = load("data_error_3.txt")
+
+ # Set data
+ self.assertRaises(ValueError, self.invertor.__setattr__, 'x', x)
+
+ def test_zero_Iq(self):
+ """
+ One of the I(q) points has a value of zero
+ Should not complain or crash.
+ """
+ x, y, err = load("data_error_4.txt")
+
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ out, cov = self.invertor.lstsq(10)
+
+ def test_negative_q(self):
+ """
+ One q value is negative.
+ Makes not sense, but should not complain or crash.
+ """
+ x, y, err = load("data_error_5.txt")
+
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ out, cov = self.invertor.lstsq(10)
+
+ def test_negative_Iq(self):
+ """
+ One I(q) value is negative.
+ Makes not sense, but should not complain or crash.
+ """
+ x, y, err = load("data_error_6.txt")
+
+ # Set data
+ self.invertor.x = x
+ self.invertor.y = y
+ self.invertor.err = err
+ # Perform inversion
+ out, cov = self.invertor.lstsq(10)
+
+ def test_nodata(self):
+ """
+ No data was loaded. Should not complain.
+ """
+ out, cov = self.invertor.lstsq(10)
+
+
+
+def pr_theory(r, R):
+ """
+ P(r) for a sphere
+ """
+ if r<=2*R:
+ return 12.0* ((0.5*r/R)**2) * ((1.0-0.5*r/R)**2) * ( 2.0 + 0.5*r/R )
+ else:
+ return 0.0
+
+def load(path = "sphere_60_q0_2.txt"):
+ import numpy, math, sys
+ # Read the data from the data file
+ data_x = numpy.zeros(0)
+ data_y = numpy.zeros(0)
+ data_err = numpy.zeros(0)
+ scale = None
+ if not path == None:
+ input_f = open(path,'r')
+ buff = input_f.read()
+ lines = buff.split('\n')
+ for line in lines:
+ try:
+ toks = line.split()
+ x = float(toks[0])
+ y = float(toks[1])
+ if len(toks)>2:
+ err = float(toks[2])
+ else:
+ if scale==None:
+ scale = 0.15*math.sqrt(y)
+ err = scale*math.sqrt(y)
+ data_x = numpy.append(data_x, x)
+ data_y = numpy.append(data_y, y)
+ data_err = numpy.append(data_err, err)
+ except:
+ pass
+
+ return data_x, data_y, data_err
+
+if __name__ == '__main__':
+ unittest.main(testRunner=unittest.TextTestRunner(verbosity=2))
diff --git a/test/run_one.py b/test/run_one.py
new file mode 100644
index 0000000..7094747
--- /dev/null
+++ b/test/run_one.py
@@ -0,0 +1,21 @@
+#!/usr/bin/env python
+
+import os
+import sys
+import xmlrunner
+import unittest
+import imp
+from os.path import abspath, dirname, split as splitpath, join as joinpath
+
+run_py = joinpath(dirname(dirname(abspath(__file__))), 'run.py')
+run = imp.load_source('sasview_run', run_py)
+run.prepare()
+#print "\n".join(sys.path)
+test_path,test_file = splitpath(abspath(sys.argv[1]))
+print "=== testing:",sys.argv[1]
+#print test_path, test_file
+sys.argv = [sys.argv[0]]
+os.chdir(test_path)
+sys.path.insert(0, test_path)
+test = imp.load_source('tests',test_file)
+unittest.main(test, testRunner=xmlrunner.XMLTestRunner(output='logs'))
diff --git a/test/sascalculator/test/A_Raw_Example-1.omf b/test/sascalculator/test/A_Raw_Example-1.omf
new file mode 100644
index 0000000..943b4ab
--- /dev/null
+++ b/test/sascalculator/test/A_Raw_Example-1.omf
@@ -0,0 +1,16036 @@
+# OOMMF: rectangular mesh v1.0
+# Segment count: 1
+# Begin: Segment
+# Begin: Header
+# Title: /home/kathryn/oommf12a4pre-20091216/KLK_Items/manyspheres-Oxs_MinDriver-Magnetization-01-0002868.omf
+# Desc: Oxs vector field output
+# Desc: MIF source file: /home/kathryn/oommf12a4pre-20091216/KLK_Items/OrderedCubesPlain16.mif
+# Desc: Iteration: 2868, State id: 363758
+# Desc: Stage: 1, Stage iteration: 0
+# Desc: Stage simulation time: 0 s
+# Desc: Total simulation time: -2 s
+# meshtype: rectangular
+# meshunit: m
+# xbase: 1.0000000000000001e-09
+# ybase: 1.0000000000000001e-09
+# zbase: 1.0000000000000001e-09
+# xstepsize: 2.0000000000000001e-09
+# ystepsize: 2.0000000000000001e-09
+# zstepsize: 2.0000000000000001e-09
+# xnodes: 40
+# ynodes: 40
+# znodes: 10
+# xmin: 0
+# ymin: 0
+# zmin: 0
+# xmax: 8.0000000000000002e-08
+# ymax: 8.0000000000000002e-08
+# zmax: 2e-08
+# valueunit: A/m
+# valuemultiplier: 1
+# ValueRangeMinMag: 499999.99999999988
+# ValueRangeMaxMag: 500000.00000000017
+# End: Header
+# Begin: Data Text
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+# End: Segment
diff --git a/test/sascalculator/test/C_Example_Converted.txt b/test/sascalculator/test/C_Example_Converted.txt
new file mode 100644
index 0000000..4a8bc32
--- /dev/null
+++ b/test/sascalculator/test/C_Example_Converted.txt
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\ No newline at end of file
diff --git a/test/sascalculator/test/CoreXY_ShellZ.txt b/test/sascalculator/test/CoreXY_ShellZ.txt
new file mode 100644
index 0000000..1aa9668
--- /dev/null
+++ b/test/sascalculator/test/CoreXY_ShellZ.txt
@@ -0,0 +1,553 @@
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diff --git a/test/sascalculator/test/beam profile.DAT b/test/sascalculator/test/beam profile.DAT
new file mode 100644
index 0000000..d5bb0ed
--- /dev/null
+++ b/test/sascalculator/test/beam profile.DAT
@@ -0,0 +1 @@
+
SAXS BOX
49 30 0 0 0 0 0 0
0.000000E+00 0.261200E+03 0.000000E+00 0.100000E+01 0.154200E+00
0.100000E+01 0.155999E+01 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00 0.100000E+01 0.836825E+02
0.754396E-01 0.975440E+00 0.938981E+02
0.150879E+00 0.975745E+00 0.991879E+02
0.226319E+00 0.975473E+00 0.767819E+02
0.301758E+00 0.974517E+00 0.131319E+03
0.377198E+00 0.973001E+00 0.817830E+02
0.452637E+00 0.969088E+00 0.668273E+02
0.528077E+00 0.967890E+00 0.934950E+02
0.603517E+00 0.975536E+00 0.116805E+03
0.678956E+00 0.982809E+00 0.966191E+02
0.754396E+00 0.982538E+00 0.138675E+03
0.829835E+00 0.985082E+00 -0.100000E+01
0.905275E+00 0.991786E+00 -0.100000E+01
0.980715E+00 0.988353E+00 -0.100000E+01
0.105615E+01 0.977319E+00 -0.100000E+01
0.113159E+01 0.973398E+00 -0.100000E+01
0.120703E+01 0.975829E+00 -0.100000E+01
0.128247E+01 0.978032E+00 -0.100000E+01
0.135791E+01 0.977557E+00 -0.100000E+01
0.143335E+01 0.976422E+00 -0.100000E+01
0.150879E+01 0.982926E+00 -0.100000E+01
0.158423E+01 0.991207E+00 -0.100000E+01
0.165967E+01 0.982255E+00 -0.100000E+01
0.173511E+01 0.968295E+00 -0.100000E+01
0.181055E+01 0.973161E+00 -0.100000E+01
0.188599E+01 0.980441E+00 -0.100000E+01
0.196143E+01 0.973060E+00 -0.100000E+01
0.203687E+01 0.967479E+00 -0.100000E+01
0.211231E+01 0.968228E+00 -0.100000E+01
0.218775E+01 0.954858E+00 -0.100000E+01
0.226319E+01 0.920322E+00 -0.100000E+01
0.233863E+01 0.870665E+00 -0.100000E+01
0.241407E+01 0.814629E+00 -0.100000E+01
0.248951E+01 0.758434E+00 -0.100000E+01
0.256495E+01 0.694671E+00 -0.100000E+01
0.264039E+01 0.621470E+00 -0.100000E+01
0.271583E+01 0.554105E+00 -0.100000E+01
0.279126E+01 0.490278E+00 -0.100000E+01
0.286670E+01 0.408652E+00 -0.100000E+01
0.294214E+01 0.321530E+00 -0.100000E+01
0.301758E+01 0.255968E+00 -0.100000E+01
0.309302E+01 0.200420E+00 -0.100000E+01
0.316846E+01 0.140477E+00 -0.100000E+01
0.324390E+01 0.907699E-01 -0.100000E+01
0.331934E+01 0.593287E-01 -0.100000E+01
0.339478E+01 0.366914E-01 -0.100000E+01
0.347022E+01 0.198629E-01 -0.100000E+01
0.354566E+01 0.120037E-01 -0.100000E+01
0.362110E+01 0.110363E-01 -0.100000E+01
\ No newline at end of file
diff --git a/test/sascalculator/test/c60.pdb b/test/sascalculator/test/c60.pdb
new file mode 100644
index 0000000..a521c0c
--- /dev/null
+++ b/test/sascalculator/test/c60.pdb
@@ -0,0 +1,68 @@
+HEADER WRS C60
+COMPND C60
+ATOM 1 C ??? 1 -0.733 -1.008 3.326
+ATOM 2 C ??? 1 0.733 -1.008 3.326
+ATOM 3 C ??? 1 1.185 0.385 3.326
+ATOM 4 C ??? 1 0.000 1.246 3.326
+ATOM 5 C ??? 1 -1.185 0.385 3.326
+ATOM 6 C ??? 1 -1.421 -1.956 2.602
+ATOM 7 C ??? 1 1.421 -1.956 2.602
+ATOM 8 C ??? 1 2.299 0.747 2.602
+ATOM 9 C ??? 1 0.000 2.417 2.602
+ATOM 10 C ??? 1 -2.299 0.747 2.602
+ATOM 11 C ??? 1 -0.688 -2.964 1.832
+ATOM 12 C ??? 1 0.688 -2.964 1.832
+ATOM 13 C ??? 1 2.606 -1.570 1.832
+ATOM 14 C ??? 1 3.032 -0.261 1.832
+ATOM 15 C ??? 1 2.299 1.993 1.832
+ATOM 16 C ??? 1 1.185 2.802 1.832
+ATOM 17 C ??? 1 -1.185 2.802 1.832
+ATOM 18 C ??? 1 -2.299 1.993 1.832
+ATOM 19 C ??? 1 -3.032 -0.261 1.832
+ATOM 20 C ??? 1 -2.606 -1.570 1.832
+ATOM 21 C ??? 1 -2.606 -2.341 0.585
+ATOM 22 C ??? 1 -1.421 -3.202 0.585
+ATOM 23 C ??? 1 1.421 -3.202 0.585
+ATOM 24 C ??? 1 2.606 -2.341 0.585
+ATOM 25 C ??? 1 3.484 0.362 0.585
+ATOM 26 C ??? 1 3.032 1.755 0.585
+ATOM 27 C ??? 1 0.733 3.426 0.585
+ATOM 28 C ??? 1 -0.733 3.426 0.585
+ATOM 29 C ??? 1 -3.032 1.755 0.585
+ATOM 30 C ??? 1 -3.484 0.362 0.585
+ATOM 31 C ??? 1 -0.733 -3.426 -0.585
+ATOM 32 C ??? 1 0.733 -3.426 -0.585
+ATOM 33 C ??? 1 3.032 -1.755 -0.585
+ATOM 34 C ??? 1 3.484 -0.362 -0.585
+ATOM 35 C ??? 1 2.606 2.341 -0.585
+ATOM 36 C ??? 1 1.421 3.202 -0.585
+ATOM 37 C ??? 1 -1.421 3.202 -0.585
+ATOM 38 C ??? 1 -2.606 2.341 -0.585
+ATOM 39 C ??? 1 -3.484 -0.362 -0.585
+ATOM 40 C ??? 1 -3.032 -1.755 -0.585
+ATOM 41 C ??? 1 -2.299 -1.993 -1.832
+ATOM 42 C ??? 1 -1.185 -2.802 -1.832
+ATOM 43 C ??? 1 1.185 -2.802 -1.832
+ATOM 44 C ??? 1 2.299 -1.993 -1.832
+ATOM 45 C ??? 1 3.032 0.261 -1.832
+ATOM 46 C ??? 1 2.606 1.570 -1.832
+ATOM 47 C ??? 1 0.688 2.964 -1.832
+ATOM 48 C ??? 1 -0.688 2.964 -1.832
+ATOM 49 C ??? 1 -2.606 1.570 -1.832
+ATOM 50 C ??? 1 -3.032 0.261 -1.832
+ATOM 51 C ??? 1 -2.299 -0.747 -2.602
+ATOM 52 C ??? 1 0.000 -2.417 -2.602
+ATOM 53 C ??? 1 2.299 -0.747 -2.602
+ATOM 54 C ??? 1 1.421 1.956 -2.602
+ATOM 55 C ??? 1 -1.421 1.956 -2.602
+ATOM 56 C ??? 1 -1.185 -0.385 -3.326
+ATOM 57 C ??? 1 0.000 -1.246 -3.326
+ATOM 58 C ??? 1 1.185 -0.385 -3.326
+ATOM 59 C ??? 1 0.733 1.008 -3.326
+ATOM 60 C ??? 1 -0.733 1.008 -3.326
+CONECT 1 2
+CONECT 2 3
+CONECT 3 4
+CONECT 4 5
+CONECT 5 1
+END
diff --git a/test/sascalculator/test/sld_file.sld b/test/sascalculator/test/sld_file.sld
new file mode 100644
index 0000000..7936344
--- /dev/null
+++ b/test/sascalculator/test/sld_file.sld
@@ -0,0 +1,553 @@
+X Y Z SLDN SLDMx SLDMy SLDMz
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diff --git a/test/sascalculator/test/sphere697_r30.sld b/test/sascalculator/test/sphere697_r30.sld
new file mode 100644
index 0000000..464b5f4
--- /dev/null
+++ b/test/sascalculator/test/sphere697_r30.sld
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\ No newline at end of file
diff --git a/test/sascalculator/test/utest_resolution_calculator.py b/test/sascalculator/test/utest_resolution_calculator.py
new file mode 100644
index 0000000..378d646
--- /dev/null
+++ b/test/sascalculator/test/utest_resolution_calculator.py
@@ -0,0 +1,38 @@
+"""
+ Unit test for resolution_calculator
+"""
+
+import unittest
+from sas.sascalc.calculator.resolution_calculator import ResolutionCalculator \
+ as calculator
+
+class resolution_calculator(unittest.TestCase):
+
+ def setUp(self):
+
+ self.cal = calculator()
+
+ def test_resolution_calculation(self):
+ """
+ Test resolution_calculator"
+ """
+ self.cal.set_wavelength(15)
+ self.cal.set_source_aperture_size([2])
+ self.cal.set_sample_aperture_size([1])
+ self.cal.set_detector_pix_size([1])
+ self.cal.set_source2sample_distance([1500])
+ self.cal.set_sample2detector_distance([1500])
+ self.cal.set_wavelength_spread(0.1)
+ # all instr. params for cal
+ self.cal.get_all_instrument_params()
+ qr, phi, sigma_1, sigma_2, _, sigma_1d = self.cal.compute(15, 0.1,
+ 0, 0, coord = 'polar')
+ sigma_1d = self.cal.sigma_1d
+
+ # The value "0.000213283" was obtained by manual calculation.
+ self.assertAlmostEqual(sigma_1d, 0.000213283, 5)
+
+
+if __name__ == '__main__':
+ unittest.main()
+
diff --git a/test/sascalculator/test/utest_sas_gen.py b/test/sascalculator/test/utest_sas_gen.py
new file mode 100644
index 0000000..6aaae15
--- /dev/null
+++ b/test/sascalculator/test/utest_sas_gen.py
@@ -0,0 +1,55 @@
+"""
+Unit tests for the sas_gen
+"""
+import warnings
+warnings.simplefilter("ignore")
+
+import unittest
+from sas.sascalc.calculator import sas_gen
+
+import numpy
+
+import os.path
+
+class sas_gen_test(unittest.TestCase):
+
+ def setUp(self):
+ self.sldloader = sas_gen.SLDReader()
+ self.pdbloader = sas_gen.PDBReader()
+ self.omfloader = sas_gen.OMFReader()
+
+ def test_sldreader(self):
+ """
+ Test .sld file loaded
+ """
+ f = self.sldloader.read("sld_file.sld")
+ self.assertEqual(f.pos_x[0], -40.5)
+ self.assertEqual(f.pos_y[0], -13.5)
+ self.assertEqual(f.pos_z[0], -13.5)
+
+ def test_pdbreader(self):
+ """
+ Test .pdb file loaded
+ """
+ f = self.pdbloader.read("c60.pdb")
+ self.assertEqual(f.pos_x[0], -0.733)
+ self.assertEqual(f.pos_y[0], -1.008)
+ self.assertEqual(f.pos_z[0], 3.326)
+
+ def test_omfreader(self):
+ """
+ Test .omf file loaded
+ """
+ f = self.omfloader.read("A_Raw_Example-1.omf")
+ output = sas_gen.OMF2SLD()
+ output.set_data(f)
+ self.assertEqual(f.mx[0], 0)
+ self.assertEqual(f.my[0], 0)
+ self.assertEqual(f.mz[0], 0)
+ self.assertEqual(output.pos_x[0], 0.0)
+ self.assertEqual(output.pos_y[0], 0.0)
+ self.assertEqual(output.pos_z[0], 0.0)
+
+if __name__ == '__main__':
+ unittest.main()
+
diff --git a/test/sascalculator/test/utest_slit_length_calculator.py b/test/sascalculator/test/utest_slit_length_calculator.py
new file mode 100644
index 0000000..8a8b284
--- /dev/null
+++ b/test/sascalculator/test/utest_slit_length_calculator.py
@@ -0,0 +1,33 @@
+"""
+ Unit tests for slit_length_calculator
+"""
+
+import unittest
+from sas.sascalc.dataloader.readers.ascii_reader import Reader
+from sas.sascalc.calculator.slit_length_calculator import SlitlengthCalculator as calculator
+
+import os.path
+
+class slit_calculator(unittest.TestCase):
+
+ def setUp(self):
+
+ self.reader = Reader()
+
+ def test_slitlength_calculation(self):
+ """
+ Test slit_length_calculator"
+ """
+ f = self.reader.read("beam profile.DAT")
+ cal = calculator()
+ cal.set_data(f.x,f.y)
+ slitlength = cal.calculate_slit_length()
+
+ # The value "5.5858" was obtained by manual calculation.
+ # It turns out our slit length is FWHM/2
+ self.assertAlmostEqual(slitlength,5.5858/2, 3)
+
+
+if __name__ == '__main__':
+ unittest.main()
+
diff --git a/test/sasdataloader/plugins/test_reader.py b/test/sasdataloader/plugins/test_reader.py
new file mode 100644
index 0000000..08defd0
--- /dev/null
+++ b/test/sasdataloader/plugins/test_reader.py
@@ -0,0 +1,63 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2008, University of Tennessee
+"""
+import numpy, os
+from sas.sascalc.dataloader.data_info import Data1D
+
+
+class Reader:
+ """
+ Test reader to check plugin functionality
+ """
+ ## File type
+ type = ["ASCII files (*.test)|*.test"]
+ ## List of allowed extensions
+ ext=['.test']
+
+ def read(self, path):
+ """
+ Load data file
+
+ @param path: file path
+ @return: Data1D object, or None
+ @raise RuntimeError: when the file can't be opened
+ @raise ValueError: when the length of the data vectors are inconsistent
+ """
+ if os.path.isfile(path):
+ basename = os.path.basename(path)
+ root, extension = os.path.splitext(basename)
+ if extension.lower() in self.ext:
+ try:
+ input_f = open(path,'r')
+ except :
+ raise RuntimeError, "ascii_reader: cannot open %s" % path
+ buff = input_f.read()
+ lines = buff.split('\n')
+ x = numpy.zeros(0)
+ y = numpy.zeros(0)
+ dy = numpy.zeros(0)
+ output = Data1D(x, y, dy=dy)
+ self.filename = output.filename = basename
+
+ for line in lines:
+ x = numpy.append(x, float(line))
+
+ output.x = x
+ return output
+ else:
+ raise RuntimeError, "%s is not a file" % path
+ return None
+
+if __name__ == "__main__":
+ reader = Reader()
+ output = reader.read("../test/test_data.test")
+ print output.x
+
+
+
diff --git a/test/sasdataloader/test/AR07232_rest.ASC b/test/sasdataloader/test/AR07232_rest.ASC
new file mode 100644
index 0000000..a7580df
--- /dev/null
+++ b/test/sasdataloader/test/AR07232_rest.ASC
@@ -0,0 +1,16403 @@
+FILE: MAR07232.SA3_LP _V948 CREATED: Tuesday, Mar 13, 2007 12:49:09 PM
+LABEL: 13m Rad 0.5Pa Fib1 Th 0.16 PH7.4 Ca 2.5mM
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+ 13.705 0.84357 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+ 38 17.5 15.723 0.142 76.2 ORNL
+SAM: MAR07232.SA3_LP _V948
+BGD: MAR07171.SA3_LP_V887,
+EMP: MAR07060.SA3_LP_V776,MAR07061.SA3_LP_V777,
+DIV: PLEX_04JAN07_NG3.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=84.433;XSECT=1
+Average Choices: AVTYPE=2D_ASCII;SAVE=Yes;NAME=Auto;PLOT=Yes;
+
+*** Data written from ABS folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Tuesday, Mar 13, 2007 12:49:09 PM
+
+0.279783
+0.28951
+0.167634
+0.29697
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+0.121896
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diff --git a/test/sasdataloader/test/ISIS_1_0.xml b/test/sasdataloader/test/ISIS_1_0.xml
new file mode 100644
index 0000000..80251dc
--- /dev/null
+++ b/test/sasdataloader/test/ISIS_1_0.xml
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+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansasxml-html.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd">
+ <SASentry name="79680main_1D_2.2_10.0">
+ <Title>TK49 c10_SANS</Title>
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+ <Idata><Q unit="1/A">0.113</Q><I unit="1/cm">2.58895</I><Idev unit="1/cm">0.0469767</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.115</Q><I unit="1/cm">2.45987</I><Idev unit="1/cm">0.0460139</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.117</Q><I unit="1/cm">2.37723</I><Idev unit="1/cm">0.045272</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.119</Q><I unit="1/cm">2.34122</I><Idev unit="1/cm">0.0453741</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.121</Q><I unit="1/cm">2.21745</I><Idev unit="1/cm">0.0444485</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.123</Q><I unit="1/cm">2.12646</I><Idev unit="1/cm">0.0438385</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.125</Q><I unit="1/cm">2.11264</I><Idev unit="1/cm">0.0441662</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.127</Q><I unit="1/cm">2.07523</I><Idev unit="1/cm">0.0438979</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.129</Q><I unit="1/cm">2.03548</I><Idev unit="1/cm">0.0442422</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.131</Q><I unit="1/cm">1.92452</I><Idev unit="1/cm">0.0435959</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.133</Q><I unit="1/cm">1.90866</I><Idev unit="1/cm">0.0437401</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.135</Q><I unit="1/cm">1.91252</I><Idev unit="1/cm">0.0443163</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.137</Q><I unit="1/cm">1.80405</I><Idev unit="1/cm">0.043466</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.139</Q><I unit="1/cm">1.72166</I><Idev unit="1/cm">0.0429246</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.141</Q><I unit="1/cm">1.67199</I><Idev unit="1/cm">0.042469</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.143</Q><I unit="1/cm">1.63282</I><Idev unit="1/cm">0.0430074</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.145</Q><I unit="1/cm">1.63712</I><Idev unit="1/cm">0.0438557</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.147</Q><I unit="1/cm">1.5862</I><Idev unit="1/cm">0.0434135</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.149</Q><I unit="1/cm">1.56121</I><Idev unit="1/cm">0.0432591</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.151</Q><I unit="1/cm">1.49764</I><Idev unit="1/cm">0.0426577</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.153</Q><I unit="1/cm">1.53828</I><Idev unit="1/cm">0.0446481</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.155</Q><I unit="1/cm">1.47366</I><Idev unit="1/cm">0.0441973</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.157</Q><I unit="1/cm">1.40582</I><Idev unit="1/cm">0.0430461</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.159</Q><I unit="1/cm">1.40491</I><Idev unit="1/cm">0.0439883</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.161</Q><I unit="1/cm">1.34639</I><Idev unit="1/cm">0.044193</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.163</Q><I unit="1/cm">1.32238</I><Idev unit="1/cm">0.0438008</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.165</Q><I unit="1/cm">1.33885</I><Idev unit="1/cm">0.0445383</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.167</Q><I unit="1/cm">1.29608</I><Idev unit="1/cm">0.0451575</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.169</Q><I unit="1/cm">1.30562</I><Idev unit="1/cm">0.0460656</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.171</Q><I unit="1/cm">1.17147</I><Idev unit="1/cm">0.0435717</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.173</Q><I unit="1/cm">1.18565</I><Idev unit="1/cm">0.0449072</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.175</Q><I unit="1/cm">1.18944</I><Idev unit="1/cm">0.0465319</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.177</Q><I unit="1/cm">1.17055</I><Idev unit="1/cm">0.0456562</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.179</Q><I unit="1/cm">1.08571</I><Idev unit="1/cm">0.0453852</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.181</Q><I unit="1/cm">1.06208</I><Idev unit="1/cm">0.0463335</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.183</Q><I unit="1/cm">1.06187</I><Idev unit="1/cm">0.0458284</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.185</Q><I unit="1/cm">1.02727</I><Idev unit="1/cm">0.0472613</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.187</Q><I unit="1/cm">0.995169</I><Idev unit="1/cm">0.0465526</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.189</Q><I unit="1/cm">1.02569</I><Idev unit="1/cm">0.0483728</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.191</Q><I unit="1/cm">0.981154</I><Idev unit="1/cm">0.0490559</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.193</Q><I unit="1/cm">1.01831</I><Idev unit="1/cm">0.0502348</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.195</Q><I unit="1/cm">0.968102</I><Idev unit="1/cm">0.0504426</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.197</Q><I unit="1/cm">0.940656</I><Idev unit="1/cm">0.0512734</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.199</Q><I unit="1/cm">1.05762</I><Idev unit="1/cm">0.0547469</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.201</Q><I unit="1/cm">0.949872</I><Idev unit="1/cm">0.055229</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.203</Q><I unit="1/cm">0.891716</I><Idev unit="1/cm">0.0531346</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.205</Q><I unit="1/cm">0.876084</I><Idev unit="1/cm">0.0548681</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.207</Q><I unit="1/cm">0.932101</I><Idev unit="1/cm">0.0576812</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.209</Q><I unit="1/cm">0.927755</I><Idev unit="1/cm">0.0593404</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.211</Q><I unit="1/cm">0.87669</I><Idev unit="1/cm">0.0600369</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.213</Q><I unit="1/cm">0.809125</I><Idev unit="1/cm">0.0588107</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.215</Q><I unit="1/cm">0.941202</I><Idev unit="1/cm">0.0659121</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.217</Q><I unit="1/cm">0.946175</I><Idev unit="1/cm">0.0690784</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.219</Q><I unit="1/cm">0.859875</I><Idev unit="1/cm">0.0674435</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.221</Q><I unit="1/cm">0.959508</I><Idev unit="1/cm">0.0718856</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.223</Q><I unit="1/cm">0.763222</I><Idev unit="1/cm">0.0702866</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.225</Q><I unit="1/cm">0.785467</I><Idev unit="1/cm">0.0742144</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.227</Q><I unit="1/cm">0.81876</I><Idev unit="1/cm">0.074266</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.229</Q><I unit="1/cm">0.678311</I><Idev unit="1/cm">0.0722578</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.231</Q><I unit="1/cm">0.761442</I><Idev unit="1/cm">0.0814516</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.233</Q><I unit="1/cm">0.757076</I><Idev unit="1/cm">0.0825262</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.235</Q><I unit="1/cm">0.600636</I><Idev unit="1/cm">0.075041</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.237</Q><I unit="1/cm">0.685635</I><Idev unit="1/cm">0.0842392</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.239</Q><I unit="1/cm">0.799186</I><Idev unit="1/cm">0.0974365</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.241</Q><I unit="1/cm">0.737526</I><Idev unit="1/cm">0.0957286</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.243</Q><I unit="1/cm">0.716415</I><Idev unit="1/cm">0.0970448</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.245</Q><I unit="1/cm">0.720413</I><Idev unit="1/cm">0.0981996</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.247</Q><I unit="1/cm">0.604059</I><Idev unit="1/cm">0.100869</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.249</Q><I unit="1/cm">0.649073</I><Idev unit="1/cm">0.109281</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.251</Q><I unit="1/cm">0.700691</I><Idev unit="1/cm">0.114325</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.253</Q><I unit="1/cm">0.586789</I><Idev unit="1/cm">0.108324</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.255</Q><I unit="1/cm">0.765838</I><Idev unit="1/cm">0.139579</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.257</Q><I unit="1/cm">0.828968</I><Idev unit="1/cm">0.156723</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.259</Q><I unit="1/cm">0.616499</I><Idev unit="1/cm">0.137866</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.261</Q><I unit="1/cm">0.526011</I><Idev unit="1/cm">0.126209</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.263</Q><I unit="1/cm">0.51277</I><Idev unit="1/cm">0.126339</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.265</Q><I unit="1/cm">0.604189</I><Idev unit="1/cm">0.166393</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.267</Q><I unit="1/cm">0.738765</I><Idev unit="1/cm">0.194006</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.269</Q><I unit="1/cm">0.462803</I><Idev unit="1/cm">0.155354</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.271</Q><I unit="1/cm">0.478694</I><Idev unit="1/cm">0.171676</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.273</Q><I unit="1/cm">0.711983</I><Idev unit="1/cm">0.255539</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.275</Q><I unit="1/cm">0.473304</I><Idev unit="1/cm">0.230752</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.277</Q><I unit="1/cm">0.536817</I><Idev unit="1/cm">0.262627</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.279</Q><I unit="1/cm">0.660654</I><Idev unit="1/cm">0.297519</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.281</Q><I unit="1/cm">0.408902</I><Idev unit="1/cm">0.24585</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.283</Q><I unit="1/cm">0</I><Idev unit="1/cm">0</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ </SASdata>
+ <SASsample>
+ <ID>TK49 c10_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.575</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.14502</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>02-Aug-2013 16:54:14</date>
+ <term name="svn">2.5.3</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_132E_Lu_Banjo_12mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/test/sasdataloader/test/ISIS_1_1.xml b/test/sasdataloader/test/ISIS_1_1.xml
new file mode 100644
index 0000000..894c230
--- /dev/null
+++ b/test/sasdataloader/test/ISIS_1_1.xml
@@ -0,0 +1,319 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="79680main_1D_2.2_10.0">
+ <Title>TK49 c10_SANS</Title>
+ <Run>79680</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">85.3333</I><Idev unit="1/cm">0.852491</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">72.5398</I><Idev unit="1/cm">0.639548</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">63.3582</I><Idev unit="1/cm">0.494127</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">57.0952</I><Idev unit="1/cm">0.414116</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">51.0139</I><Idev unit="1/cm">0.35145</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">46.4746</I><Idev unit="1/cm">0.308755</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">41.7191</I><Idev unit="1/cm">0.271641</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">37.4208</I><Idev unit="1/cm">0.244658</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">33.7352</I><Idev unit="1/cm">0.219594</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">30.6073</I><Idev unit="1/cm">0.203138</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">27.7309</I><Idev unit="1/cm">0.185859</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">25.2579</I><Idev unit="1/cm">0.171356</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">22.7712</I><Idev unit="1/cm">0.159062</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">20.5323</I><Idev unit="1/cm">0.146135</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.037</Q><I unit="1/cm">19.0744</I><Idev unit="1/cm">0.136393</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.039</Q><I unit="1/cm">17.2832</I><Idev unit="1/cm">0.127623</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.041</Q><I unit="1/cm">15.7399</I><Idev unit="1/cm">0.118288</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.043</Q><I unit="1/cm">14.5598</I><Idev unit="1/cm">0.111759</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.045</Q><I unit="1/cm">13.5906</I><Idev unit="1/cm">0.105148</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.047</Q><I unit="1/cm">12.6707</I><Idev unit="1/cm">0.0996579</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.049</Q><I unit="1/cm">11.5247</I><Idev unit="1/cm">0.0929646</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.051</Q><I unit="1/cm">10.7089</I><Idev unit="1/cm">0.0888575</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">1.24882e-290</Lambda><T unit="none">3732.39</T><Tdev unit="none">6.50291</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">3291.09</T><Tdev unit="none">6.73051</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">2837.17</T><Tdev unit="none">6.96608</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">2529.37</T><Tdev unit="none">7.2099</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">2226.82</T><Tdev unit="none">7.46224</Tdev></Tdata>
+ <Tdata><Lambda unit="A">1.07499e+102</Lambda><T unit="none">1960.88</T><Tdev unit="none">7.72342</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.32977e-311</Lambda><T unit="none">1653.2</T><Tdev unit="none">7.99374</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.19961e-310</Lambda><T unit="none">1446.05</T><Tdev unit="none">8.27352</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.19962e-310</Lambda><T unit="none">1242.7</T><Tdev unit="none">8.56309</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.20107e-316</Lambda><T unit="none">1046.31</T><Tdev unit="none">8.8628</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.18299e-314</Lambda><T unit="none">895.069</T><Tdev unit="none">9.173</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.42699e-314</Lambda><T unit="none">727.543</T><Tdev unit="none">9.49406</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.24399e-314</Lambda><T unit="none">598.171</T><Tdev unit="none">9.82867</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.16202e-322</Lambda><T unit="none">-8.61158e-315</T><Tdev unit="none">-3.78577e-270</Tdev></Tdata>
+ <Tdata><Lambda unit="A">0</Lambda><T unit="none">2.2385</T><Tdev unit="none">0.00307782</Tdev></Tdata>
+ <Tdata><Lambda unit="A">0</Lambda><T unit="none">2.31685</T><Tdev unit="none">0.00300224</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.53041e-315</Lambda><T unit="none">2.39794</T><Tdev unit="none">0.00292546</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>TK49 c10_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.575</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.14502</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>02-Aug-2013 16:53:56</date>
+ <term name="svn">2.5.3</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_132E_Lu_Banjo_12mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/test/sasdataloader/test/ISIS_1_1_doubletrans.xml b/test/sasdataloader/test/ISIS_1_1_doubletrans.xml
new file mode 100644
index 0000000..2b9b575
--- /dev/null
+++ b/test/sasdataloader/test/ISIS_1_1_doubletrans.xml
@@ -0,0 +1,459 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="79680main_1D_2.2_10.0">
+ <Title>TK49 c10_SANS</Title>
+ <Run>79680</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">85.3333</I><Idev unit="1/cm">0.852491</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">72.5398</I><Idev unit="1/cm">0.639548</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">63.3582</I><Idev unit="1/cm">0.494127</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">57.0952</I><Idev unit="1/cm">0.414116</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">51.0139</I><Idev unit="1/cm">0.35145</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">46.4746</I><Idev unit="1/cm">0.308755</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">41.7191</I><Idev unit="1/cm">0.271641</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">37.4208</I><Idev unit="1/cm">0.244658</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">33.7352</I><Idev unit="1/cm">0.219594</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">30.6073</I><Idev unit="1/cm">0.203138</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">27.7309</I><Idev unit="1/cm">0.185859</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Tdata><Lambda unit="A">1.24882e-290</Lambda><T unit="none">3732.39</T><Tdev unit="none">6.50291</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">3291.09</T><Tdev unit="none">6.73051</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">2837.17</T><Tdev unit="none">6.96608</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">2529.37</T><Tdev unit="none">7.2099</Tdev></Tdata>
+ <Tdata><Lambda unit="A">NaN</Lambda><T unit="none">2226.82</T><Tdev unit="none">7.46224</Tdev></Tdata>
+ <Tdata><Lambda unit="A">1.07499e+102</Lambda><T unit="none">1960.88</T><Tdev unit="none">7.72342</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.32977e-311</Lambda><T unit="none">1653.2</T><Tdev unit="none">7.99374</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.19961e-310</Lambda><T unit="none">1446.05</T><Tdev unit="none">8.27352</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.19962e-310</Lambda><T unit="none">1242.7</T><Tdev unit="none">8.56309</Tdev></Tdata>
+ <Tdata><Lambda unit="A">8.20107e-316</Lambda><T unit="none">1046.31</T><Tdev unit="none">8.8628</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.18299e-314</Lambda><T unit="none">895.069</T><Tdev unit="none">9.173</Tdev></Tdata>
+ <Tdata><Lambda unit="A">7.42699e-314</Lambda><T unit="none">727.543</T><Tdev unit="none">9.49406</Tdev></Tdata>
+ <Tdata><Lambda unit="A">4.24399e-314</Lambda><T unit="none">598.171</T><Tdev unit="none">9.82867</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.16202e-322</Lambda><T unit="none">-8.61158e-315</T><Tdev unit="none">-3.78577e-270</Tdev></Tdata>
+ <Tdata><Lambda unit="A">0</Lambda><T unit="none">2.2385</T><Tdev unit="none">0.00307782</Tdev></Tdata>
+ <Tdata><Lambda unit="A">0</Lambda><T unit="none">2.31685</T><Tdev unit="none">0.00300224</Tdev></Tdata>
+ <Tdata><Lambda unit="A">3.53041e-315</Lambda><T unit="none">2.39794</T><Tdev unit="none">0.00292546</Tdev></Tdata>
+ </SAStransmission_spectrum>
+ <SASsample>
+ <ID>TK49 c10_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.575</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.14502</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>02-Aug-2013 16:53:56</date>
+ <term name="svn">2.5.3</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_132E_Lu_Banjo_12mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/test/sasdataloader/test/ISIS_1_1_notrans.xml b/test/sasdataloader/test/ISIS_1_1_notrans.xml
new file mode 100644
index 0000000..e7fc398
--- /dev/null
+++ b/test/sasdataloader/test/ISIS_1_1_notrans.xml
@@ -0,0 +1,179 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansas1d.xsl" ?>
+<SASroot version="1.1"
+ xmlns="urn:cansas1d:1.1"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="urn:cansas1d:1.1 http://www.cansas.org/formats/1.1/cansas1d.xsd"
+ >
+ <SASentry name="79680main_1D_2.2_10.0">
+ <Title>TK49 c10_SANS</Title>
+ <Run>79680</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.009</Q><I unit="1/cm">85.3333</I><Idev unit="1/cm">0.852491</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.011</Q><I unit="1/cm">72.5398</I><Idev unit="1/cm">0.639548</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.013</Q><I unit="1/cm">63.3582</I><Idev unit="1/cm">0.494127</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.015</Q><I unit="1/cm">57.0952</I><Idev unit="1/cm">0.414116</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.017</Q><I unit="1/cm">51.0139</I><Idev unit="1/cm">0.35145</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.019</Q><I unit="1/cm">46.4746</I><Idev unit="1/cm">0.308755</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.021</Q><I unit="1/cm">41.7191</I><Idev unit="1/cm">0.271641</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.023</Q><I unit="1/cm">37.4208</I><Idev unit="1/cm">0.244658</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.025</Q><I unit="1/cm">33.7352</I><Idev unit="1/cm">0.219594</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.027</Q><I unit="1/cm">30.6073</I><Idev unit="1/cm">0.203138</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.029</Q><I unit="1/cm">27.7309</I><Idev unit="1/cm">0.185859</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.031</Q><I unit="1/cm">25.2579</I><Idev unit="1/cm">0.171356</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.033</Q><I unit="1/cm">22.7712</I><Idev unit="1/cm">0.159062</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.035</Q><I unit="1/cm">20.5323</I><Idev unit="1/cm">0.146135</Idev><Qdev unit="1/A">0</Qdev></Idata>
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+ <Idata><Q unit="1/A">0.277</Q><I unit="1/cm">0.536817</I><Idev unit="1/cm">0.262627</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.279</Q><I unit="1/cm">0.660654</I><Idev unit="1/cm">0.297519</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.281</Q><I unit="1/cm">0.408902</I><Idev unit="1/cm">0.24585</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ <Idata><Q unit="1/A">0.283</Q><I unit="1/cm">0</I><Idev unit="1/cm">0</Idev><Qdev unit="1/A">0</Qdev></Idata>
+ </SASdata>
+ <SASsample>
+ <ID>TK49 c10_SANS</ID>
+ </SASsample>
+ <SASinstrument>
+ <name>LOQ</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ </SASsource>
+ <SAScollimation/>
+ <SASdetector>
+ <name>HAB</name>
+ <SDD unit="m">0.575</SDD>
+ </SASdetector>
+ <SASdetector>
+ <name>main-detector-bank</name>
+ <SDD unit="m">4.14502</SDD>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>Mantid generated CanSAS1D XML</name>
+ <date>02-Aug-2013 16:53:56</date>
+ <term name="svn">2.5.3</term>
+ <term name="user_file">K:/masks/MASKLOQ_MAN_132E_Lu_Banjo_12mm.txt</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote>
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/test/sasdataloader/test/MAR07232_rest.ASC b/test/sasdataloader/test/MAR07232_rest.ASC
new file mode 100644
index 0000000..1d6720b
--- /dev/null
+++ b/test/sasdataloader/test/MAR07232_rest.ASC
@@ -0,0 +1,16403 @@
+FILE: MAR07232.SA3_LP _V948 CREATED: Tuesday, Mar 13, 2007 12:49:09 PM
+LABEL: 13m Rad 0.5Pa Fib1 Th 0.16 PH7.4 Ca 2.5mM
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+1e+08 8.4 0 13.705 0.84357 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+68.76 62.47 38 17.5 15.723 0.142 76.2 ORNL
+SAM: MAR07232.SA3_LP _V948
+BGD: MAR07171.SA3_LP_V887,
+EMP: MAR07060.SA3_LP_V776,MAR07061.SA3_LP_V777,
+DIV: PLEX_04JAN07_NG3.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=84.433;XSECT=1
+Average Choices: AVTYPE=2D_ASCII;SAVE=Yes;NAME=Auto;PLOT=Yes;
+
+*** Data written from ABS folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Tuesday, Mar 13, 2007 12:49:09 PM
+
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diff --git a/test/sasdataloader/test/MP_New.sans b/test/sasdataloader/test/MP_New.sans
new file mode 100644
index 0000000..a90fad5
--- /dev/null
+++ b/test/sasdataloader/test/MP_New.sans
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\ No newline at end of file
diff --git a/test/sasdataloader/test/P_New.sans b/test/sasdataloader/test/P_New.sans
new file mode 100644
index 0000000..cd49ac2
--- /dev/null
+++ b/test/sasdataloader/test/P_New.sans
@@ -0,0 +1,16393 @@
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\ No newline at end of file
diff --git a/test/sasdataloader/test/S2-30dq.d1d b/test/sasdataloader/test/S2-30dq.d1d
new file mode 100644
index 0000000..eed8c77
--- /dev/null
+++ b/test/sasdataloader/test/S2-30dq.d1d
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+0.297985 0.008320 0.001285 0.015094
+0.300729 0.007980 0.001213 0.015199
+0.303468 0.008066 0.001245 0.015305
+0.306202 0.007857 0.001198 0.015411
+0.308931 0.007975 0.001173 0.015518
+0.311656 0.007737 0.001246 0.015625
+0.314376 0.007929 0.001209 0.015732
+0.317090 0.008120 0.001212 0.015840
+0.319800 0.007825 0.001198 0.015947
+0.322504 0.008239 0.001290 0.016056
+0.325204 0.008118 0.001252 0.016164
+0.327898 0.007811 0.001206 0.016273
+0.330587 0.007637 0.001173 0.016382
+0.333272 0.007916 0.001221 0.016492
+0.335951 0.008030 0.001220 0.016602
+0.338624 0.008072 0.001131 0.016712
+0.341293 0.007986 0.001244 0.016822
+0.343956 0.007830 0.001368 0.016933
+0.346615 0.007580 0.001440 0.017044
+0.349267 0.007906 0.001546 0.017155
+0.351915 0.007404 0.001601 0.017266
+0.354557 0.007657 0.001775 0.017378
+0.357194 0.007266 0.001829 0.017490
+0.359825 0.007696 0.001873 0.017603
+0.362451 0.008356 0.002254 0.017715
+0.365072 0.007734 0.002492 0.017828
+0.367687 0.008076 0.002661 0.017941
+0.370297 0.007791 0.003077 0.018055
+0.372901 0.007797 0.003795 0.018168
+0.375499 0.007782 0.005681 0.018282
+0.378093 0.006695 0.009273 0.018396
+0.380680 0.001744 0.000058 0.018511
diff --git a/test/sasdataloader/test/angles_flat.png b/test/sasdataloader/test/angles_flat.png
new file mode 100644
index 0000000..ad356a0
Binary files /dev/null and b/test/sasdataloader/test/angles_flat.png differ
diff --git a/test/sasdataloader/test/angles_flat.txt b/test/sasdataloader/test/angles_flat.txt
new file mode 100644
index 0000000..ad356a0
Binary files /dev/null and b/test/sasdataloader/test/angles_flat.txt differ
diff --git a/test/sasdataloader/test/ascii_test_1.txt b/test/sasdataloader/test/ascii_test_1.txt
new file mode 100644
index 0000000..437d9be
--- /dev/null
+++ b/test/sasdataloader/test/ascii_test_1.txt
@@ -0,0 +1,24 @@
+FILE: jan08002.SA2_BH _R556 CREATED: Mon, Jan 21, 2008 1:34:58 PM
+LABEL: scatt 1m sam1
+MON CNT LAMBDA DET ANG DET DIST TRANS THICK AVE STEP
+1e+08 6 25 1 0.5667 0.2C 1
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+114.58 64.22 50 12.7 3.914 0.124 50.8 ORNL
+SAM: jan08002.SA2_BH _R556
+BGD: JAN08008.SA2_BH_R562,
+EMP: JAN08007.SA2_BH_R561,
+DIV: PLEX_04JAN2008_NG7.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=2.547e+05;XSECT=1
+Average Choices: AVTYPE=Circular;SAVE=Yes;NAME=Auto;PLOT=Yes;
+The 6 columns are | Q (1/A) | I(Q) (1/cm) | std. dev. I(Q) (1/cm) | sigmaQ | meanQ | ShadowFactor|
+ 0.002618 0.02198 0.002704 0.0004091 0.008082 1e-10
+ 0.007854 0.02201 0.001643 0.005587 0.0275 1.564e-12
+ 0.01309 0.02695 0.002452 0.005598 0.02762 2.525e-07
+ 0.01832 0.02645 0.001769 0.005624 0.02787 0.001046
+ 0.02356 0.03024 0.001531 0.005707 0.02847 0.1293
+ 0.02879 0.3927 0.1697 0.005975 0.03031 0.7933
+ 0.03402 7.305 1.006 0.006264 0.03457 0.9972
+ 0.03925 17.43 0.5351 0.006344 0.0397 1
+ 0.04448 13.43 0.3677 0.006424 0.04488 1
+ 0.0497 8.346 0.191 0.006516 0.05006 1
diff --git a/test/sasdataloader/test/ascii_test_2.txt b/test/sasdataloader/test/ascii_test_2.txt
new file mode 100644
index 0000000..06aaec7
--- /dev/null
+++ b/test/sasdataloader/test/ascii_test_2.txt
@@ -0,0 +1,25 @@
+FILE: jan08002.SA2_BH _R556 CREATED: Mon, Jan 21, 2008 1:34:58 PM
+LABEL: scatt 1m sam1
+MON CNT LAMBDA DET ANG DET DIST TRANS THICK AVE STEP
+1e+08 6 25 1 0.5667 0.2C 1
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+114.58 64.22 50 12.7 3.914 0.124 50.8 ORNL
+SAM: jan08002.SA2_BH _R556
+BGD: JAN08008.SA2_BH_R562,
+EMP: JAN08007.SA2_BH_R561,
+DIV: PLEX_04JAN2008_NG7.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=2.547e+05;XSECT=1
+Average Choices: AVTYPE=Circular;SAVE=Yes;NAME=Auto;PLOT=Yes;
+The 6 columns are | Q (1/A) | I(Q) (1/cm) | std. dev. I(Q) (1/cm) | sigmaQ | meanQ | ShadowFactor|
+ 0.002618 0.02198 0.002704 0.0004091 0.008082 1e-10
+ 0.007854 0.02201 0.001643 0.005587 0.0275 1.564e-12
+ 0.01309 0.02695 0.002452 0.005598 0.02762 2.525e-07
+ 0.01832 0.02645 0.001769 0.005624 0.02787 0.001046
+ 0.02356 0.03024 0.001531 0.005707 0.02847 0.1293
+some string: the data should now contain 5 points
+ 0.02879 0.3927 0.1697 0.005975 0.03031 0.7933
+ 0.03402 7.305 1.006 0.006264 0.03457 0.9972
+ 0.03925 17.43 0.5351 0.006344 0.0397 1
+ 0.04448 13.43 0.3677 0.006424 0.04488 1
+ 0.0497 8.346 0.191 0.006516 0.05006 1
diff --git a/test/sasdataloader/test/ascii_test_3.txt b/test/sasdataloader/test/ascii_test_3.txt
new file mode 100644
index 0000000..789add9
--- /dev/null
+++ b/test/sasdataloader/test/ascii_test_3.txt
@@ -0,0 +1,24 @@
+FILE: jan08002.SA2_BH _R556 CREATED: Mon, Jan 21, 2008 1:34:58 PM
+LABEL: scatt 1m sam1
+MON CNT LAMBDA DET ANG DET DIST TRANS THICK AVE STEP
+1e+08 6 25 1 0.5667 0.2C 1
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+114.58 64.22 50 12.7 3.914 0.124 50.8 ORNL
+SAM: jan08002.SA2_BH _R556
+BGD: JAN08008.SA2_BH_R562,
+EMP: JAN08007.SA2_BH_R561,
+DIV: PLEX_04JAN2008_NG7.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=2.547e+05;XSECT=1
+Average Choices: AVTYPE=Circular;SAVE=Yes;NAME=Auto;PLOT=Yes;
+The 6 columns are | Q (1/A) | I(Q) (1/cm) | std. dev. I(Q) (1/cm) | sigmaQ | meanQ | ShadowFactor|
+ 0.002618 0.02198 0.002704 0.0004091 0.008082 1e-10
+ 0.007854 0.02201 0.001643 0.005587 0.0275 1.564e-12
+ 0.01309 0.02695 0.002452 0.005598 0.02762 2.525e-07
+ 0.01832 0.02645 0.001769 0.005624 0.02787 0.001046
+ 0.02356 0.03024 0.001531 0.005707 0.02847 0.1293
+ 0.02879 0.3927
+ 0.03402 7.305 1.006 0.006264 0.03457 0.9972
+ 0.03925 17.43 0.5351 0.006344 0.0397 1
+ 0.04448 13.43 0.3677 0.006424 0.04488 1
+ 0.0497 8.346 0.191 0.006516 0.05006 1
diff --git a/test/sasdataloader/test/ascii_test_4.abs b/test/sasdataloader/test/ascii_test_4.abs
new file mode 100644
index 0000000..2f7f737
--- /dev/null
+++ b/test/sasdataloader/test/ascii_test_4.abs
@@ -0,0 +1,28 @@
+ 51 3.643 0.0286 0.002291 0.01199 1
+ 0.02051 2.695
+ 0.022251 2.528 0.01782 0.002404 0.02236 1
+FILE CREATED: Mon, Aug 18, 2003
+NSORT-ed ssy2k004.ABS + ssy2k009.ABS + none
+normalized to ssy2k004.ABS
+multiplicative factor 1-2 = 0.88493703 multiplicative factor 2-3 = 1
+ 102 3.742
+ 0.22 3.643 0.0286 0.002291 0.01199 1
+ 0.012652 3.505 0.02989 0.002296 0.01285 1
+ 102 3.742
+ 52 3.643 0.0286 0.002291 0.01199 1
+ 0.02052 2.695 0.01887 0.002379 0.02062 1
+ 0.022252 2.528 0.01782 0.002404 0.02236 1
+FILE CREATED: Mon, Aug 18, 2003
+NSORT-ed ssy2k004.ABS + ssy2k009.ABS + none
+normalized to ssy2k004.ABS
+multiplicative factor 1-2 = 0.88493703 multiplicative factor 2-3 = 1
+ 0.23 3.643 0.0286 0.002291 0.01199 1
+ 0.012653 3.505 0.02989 0.002296 0.01285 1
+ 103 3.742 0.02989
+ 0.02654 3.505 0.02989 0.002296 0.01285 1
+ 0.015274 3.27 0.02658 0.002318 0.01543 1
+ 0.012654 3.505 0.02989 0.002296 0.01285 1
+ 0.013534 3.428 0.02694 0.002303 0.01371 1
+ 0.022254 2.528 0.01782 0.002404 0.02236 1
+normalized to ssy2k004.ABS
+ 0.015285 3.27 0.02658 0.002318 0.01543 1
diff --git a/test/sasdataloader/test/ascii_test_5.txt b/test/sasdataloader/test/ascii_test_5.txt
new file mode 100644
index 0000000..88e80a4
--- /dev/null
+++ b/test/sasdataloader/test/ascii_test_5.txt
@@ -0,0 +1,22 @@
+FILE: jan08002.SA2_BH _R556 CREATED: Mon, Jan 21, 2008 1:34:58 PM
+LABEL: scatt 1m sam1
+MON CNT LAMBDA DET ANG DET DIST TRANS THICK AVE STEP
+1e+08 6 25 1 0.5667 0.2C 1
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+114.58 64.22 50 12.7 3.914 0.124 50.8 ORNL
+SAM: jan08002.SA2_BH _R556
+BGD: JAN08008.SA2_BH_R562,
+EMP: JAN08007.SA2_BH_R561,
+DIV: PLEX_04JAN2008_NG7.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=2.547e+05;XSECT=1
+Average Choices: AVTYPE=Circular;SAVE=Yes;NAME=Auto;PLOT=Yes;
+The 6 columns are | Q (1/A) | I(Q) (1/cm) | std. dev. I(Q) (1/cm) | sigmaQ | meanQ | ShadowFactor|
+ 0.002618 0.02198 0.002704 0.0004091 0.008082 1e-10
+ 0.007854 0.02201 0.001643 0.005587 0.0275 1.564e-12
+ 0.02879 0.3927
+ 0.03402 7.305
+ 0.03925 17.43
+ 0.04448 13.43
+ 0.0497 8.346
+
diff --git a/test/sasdataloader/test/ascii_test_6.txt b/test/sasdataloader/test/ascii_test_6.txt
new file mode 100644
index 0000000..8ebd934
--- /dev/null
+++ b/test/sasdataloader/test/ascii_test_6.txt
@@ -0,0 +1,29 @@
+ 51 3.643 0.0286 0.002291 0.01199 1
+ 0.02051 2.695
+ 0.022251 2.528 0.01782 0.002404 0.02236 1
+FILE CREATED: Mon, Aug 18, 2003
+NSORT-ed ssy2k004.ABS + ssy2k009.ABS + none
+normalized to ssy2k004.ABS
+multiplicative factor 1-2 = 0.88493703 multiplicative factor 2-3 = 1
+ 102 3.742
+ 0.22 3.643 0.0286 0.002291 0.01199 1
+ 0.012652 3.505 0.02989 0.002296 0.01285 1
+ 102 3.742
+ 52 3.643 0.0286 0.002291 0.01199 1
+ 0.02052 2.695 0.01887 0.002379 0.02062 1
+ 0.022252 2.528 0.01782 0.002404 0.02236 1
+FILE CREATED: Mon, Aug 18, 2003
+NSORT-ed ssy2k004.ABS + ssy2k009.ABS + none
+normalized to ssy2k004.ABS
+multiplicative factor 1-2 = 0.88493703 multiplicative factor 2-3 = 1
+ 0.23 3.643 0.0286 0.002291 0.01199 1
+ 0.012653 3.505 0.02989 0.002296 0.01285 1
+ 103 3.742 0.02989
+ 0.02654 3.505 0.02989 0.002296 0.01285 1
+ 0.015274 3.27 0.02658 0.002318 0.01543 1
+ 0.012654 3.505 0.02989 0.002296 0.01285 a
+ 0.013534 3.428 0.02694 0.002303 0.01371 1
+ 0.022254 2.528 0.01782 0.002404 0.02236 1
+ 0.014654 3.505 0.02989 0.002296 0.01285 1
+ 0.015285 3.27 0.02658 0.002318 0.01543 1
+
\ No newline at end of file
diff --git a/test/sasdataloader/test/avg_testdata.txt b/test/sasdataloader/test/avg_testdata.txt
new file mode 100644
index 0000000..10669dc
--- /dev/null
+++ b/test/sasdataloader/test/avg_testdata.txt
@@ -0,0 +1,21 @@
+0.00019987186878 -0.01196215 0.148605728355
+0.000453772721237 0.02091606 0.0680283029334
+0.000750492390439 -0.01337855 0.0444902910757
+0.00103996394336 0.03062 0.0580312894528
+0.0013420198959 0.0811008333333 0.0540469289108
+0.001652061869 0.167022288372 0.0651891320031
+0.00196086470492 27.5554711176 0.735053300957
+0.00226262401224 105.031578947 1.35744586624
+0.00256734439716 82.1791776119 1.10749938588
+0.0028637128388 54.714657971 0.890486416264
+0.00315257408712 36.8455584416 0.691746880003
+0.00344644126616 24.8938701149 0.534917225468
+0.00374248202229 16.5905619565 0.424655384023
+0.00404393067437 11.4714217925 0.328969543128
+0.004346317814 8.05405805556 0.273083524998
+0.00465162170627 5.5823291129 0.21217630209
+0.00495449803049 4.2574845082 0.186808495528
+0.00525641407066 3.30448963768 0.154743584955
+0.00555735057365 2.6995389781 0.140373302568
+0.00585577429002 2.03298512 0.116418358232
+
diff --git a/test/sasdataloader/test/cansas1d.xml b/test/sasdataloader/test/cansas1d.xml
new file mode 100644
index 0000000..8968e2d
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d.xml
@@ -0,0 +1,141 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>Test title</Title>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">0.02</Q>
+ <I unit="1/cm">1000</I>
+ <Idev unit="1/cm">3</Idev>
+ <Qdev unit="1/A">0.01</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.03</Q>
+ <I unit="1/cm">1001</I>
+ <Idev unit="1/cm">4</Idev>
+ <Qdev unit="1/A">0.02</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="mm">1.03</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">22.5<!-- was: sample_orientation --></roll>
+ <pitch unit="degree">0.020<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="mm">12.00</x>
+ <y unit="mm">13.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_min unit="nm">0.22</wavelength_min>
+ <wavelength_max unit="nm">1.00</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='mm'> 123.0</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="mm">50</x>
+ </size>
+ <distance unit="m">11.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="mm">1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="mm">1</x>
+ <y unit="mm">2</y>
+ </offset>
+ <orientation>
+ <roll unit="degree">1.00</roll>
+ <pitch unit="degree">0.00</pitch>
+ <yaw unit="degree">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="mm">322.64</x>
+ <y unit="mm">327.68</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">5.00</x>
+ <y unit="mm">5.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="degree">180.0</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote>No Information</SASprocessnote>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/cansas1d_badunits.xml b/test/sasdataloader/test/cansas1d_badunits.xml
new file mode 100644
index 0000000..8019bc6
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d_badunits.xml
@@ -0,0 +1,141 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>Test title</Title>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/nm">0.002</Q>
+ <I unit="1/nm">1</I>
+ <Idev unit="1/nm">.003</Idev>
+ <Qdev unit="1/nm">0.001</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/nm">0.003</Q>
+ <I unit="1/nm">1.001</I>
+ <Idev unit="1/nm">.004</Idev>
+ <Qdev unit="1/nm">0.002</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="mff">0.00103</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="nm">10000000.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="rad">0.39269908<!-- was: sample_orientation --></roll>
+ <pitch unit="rad">3.4906585e-4<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="m">.01200</x>
+ <y unit="micrometer">13000.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="nm">0.600</wavelength>
+ <wavelength_min unit="A">02.2</wavelength_min>
+ <wavelength_max unit="A">10.0</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='m'> 0.123</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="micron">50000</x>
+ </size>
+ <distance unit="cm">1100.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="cm">.1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="nm">1000000</x>
+ <y unit="micron">2000</y>
+ </offset>
+ <orientation>
+ <roll unit="radian">.0174533</roll>
+ <pitch unit="rad">0.00</pitch>
+ <yaw unit="radian">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="m">.32264</x>
+ <y unit="m">.32768</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="cm">.500</x>
+ <y unit="cm">.500</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="rad">4.1416</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/cansas1d_notitle.xml b/test/sasdataloader/test/cansas1d_notitle.xml
new file mode 100644
index 0000000..2419676
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d_notitle.xml
@@ -0,0 +1,140 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">0.02</Q>
+ <I unit="1/cm">1000</I>
+ <Idev unit="1/cm">3</Idev>
+ <Qdev unit="1/A">0.01</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.03</Q>
+ <I unit="1/cm">1001</I>
+ <Idev unit="1/cm">4</Idev>
+ <Qdev unit="1/A">0.02</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="mm">1.03</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">22.5<!-- was: sample_orientation --></roll>
+ <pitch unit="degree">0.020<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="mm">12.00</x>
+ <y unit="mm">13.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_min unit="nm">0.22</wavelength_min>
+ <wavelength_max unit="nm">1.00</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='mm'> 123.0</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="mm">50</x>
+ </size>
+ <distance unit="m">11.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="mm">1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="mm">1</x>
+ <y unit="mm">2</y>
+ </offset>
+ <orientation>
+ <roll unit="degree">1.00</roll>
+ <pitch unit="degree">0.00</pitch>
+ <yaw unit="degree">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="mm">322.64</x>
+ <y unit="mm">327.68</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">5.00</x>
+ <y unit="mm">5.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="degree">180.0</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote>No Information</SASprocessnote>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/cansas1d_slit.xml b/test/sasdataloader/test/cansas1d_slit.xml
new file mode 100644
index 0000000..baaa7e3
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d_slit.xml
@@ -0,0 +1,141 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>Test title</Title>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">0.02</Q>
+ <I unit="1/cm">1000</I>
+ <Idev unit="1/cm">3</Idev>
+ <dQw unit="1/A">0.001</dQw>
+ <dQl unit="1/A">0.005</dQl>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.03</Q>
+ <I unit="1/cm">1001</I>
+ <Idev unit="1/cm">4</Idev>
+ <dQw unit="1/A">0.001</dQw>
+ <dQl unit="1/A">0.005</dQl>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="mm">1.03</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">22.5<!-- was: sample_orientation --></roll>
+ <pitch unit="degree">0.020<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="mm">12.00</x>
+ <y unit="mm">13.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_min unit="nm">0.22</wavelength_min>
+ <wavelength_max unit="nm">1.00</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='mm'> 123.0</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="mm">50</x>
+ </size>
+ <distance unit="m">11.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="mm">1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="mm">1</x>
+ <y unit="mm">2</y>
+ </offset>
+ <orientation>
+ <roll unit="degree">1.00</roll>
+ <pitch unit="degree">0.00</pitch>
+ <yaw unit="degree">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="mm">322.64</x>
+ <y unit="mm">327.68</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">5.00</x>
+ <y unit="mm">5.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="degree">180.0</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/cansas1d_units.xml b/test/sasdataloader/test/cansas1d_units.xml
new file mode 100644
index 0000000..f4d8a09
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d_units.xml
@@ -0,0 +1,141 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>Test title</Title>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/nm">0.2</Q>
+ <I unit="1/nm">0.0001</I>
+ <Idev unit="1/nm">.0000003</Idev>
+ <Qdev unit="1/nm">0.1</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/nm">0.3</Q>
+ <I unit="1/nm">0.0001001</I>
+ <Idev unit="1/nm">.0000004</Idev>
+ <Qdev unit="1/nm">0.2</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="m">0.00103</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="nm">10000000.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="rad">0.39269908<!-- was: sample_orientation --></roll>
+ <pitch unit="rad">3.4906585e-4<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="m">.01200</x>
+ <y unit="micrometer">13000.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="nm">0.600</wavelength>
+ <wavelength_min unit="A">02.2</wavelength_min>
+ <wavelength_max unit="A">10.0</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='m'> 0.123</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="micron">50000</x>
+ </size>
+ <distance unit="cm">1100.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="cm">.1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="nm">1000000</x>
+ <y unit="micron">2000</y>
+ </offset>
+ <orientation>
+ <roll unit="radian">.0174533</roll>
+ <pitch unit="rad">0.00</pitch>
+ <yaw unit="radian">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="m">.32264</x>
+ <y unit="m">.32768</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="cm">.500</x>
+ <y unit="cm">.500</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="rad">4.1416</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote/>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/cansas1d_v1_0.xsd b/test/sasdataloader/test/cansas1d_v1_0.xsd
new file mode 100644
index 0000000..78244a8
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d_v1_0.xsd
@@ -0,0 +1,238 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="xsd-documentation.xsl" ?>
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+ xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+ xmlns:jaxb="http://java.sun.com/xml/ns/jaxb" jaxb:version="2.0"
+ targetNamespace="cansas1d/1.0" xmlns:tns="cansas1d/1.0"
+ elementFormDefault="qualified">
+
+<!-- JAXB: http://java.sun.com/developer/technicalArticles/WebServices/jaxb/ -->
+
+ <complexType name="floatUnitType">
+ <simpleContent>
+ <extension base="float">
+ <attribute name="unit" type="string" use="required" />
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <group name="positionGroup">
+ <sequence>
+ <element name="x" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="y" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="z" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="positionType">
+ <group ref="tns:positionGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <group name="orientationGroup">
+ <sequence>
+ <element name="roll" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="pitch" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="yaw" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="orientationType">
+ <group ref="tns:orientationGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="IdataType">
+ <sequence>
+ <element name="Q" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:choice>
+ <!-- [ [Qdev] | [[dQw] | [dQl]] ] -->
+ <element name="Qdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:sequence>
+ <element name="dQw" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="dQl" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ </xsd:sequence>
+ </xsd:choice>
+ <element name="Qmean" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Shadowfactor" minOccurs="0" maxOccurs="1" type="float" default="1.0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASdataType">
+ <sequence>
+ <element name="Idata" minOccurs="1" maxOccurs="unbounded" type="tns:IdataType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsampleType">
+ <sequence>
+ <element name="ID" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="thickness" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="transmission" minOccurs="0" maxOccurs="1" type="float" />
+ <element name="temperature" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="position" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="details" minOccurs="0" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="termType">
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="unit" type="string" use="optional"/>
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASprocessType">
+ <annotation>
+ <appinfo>
+ <!-- JAXB: simplify class name -->
+ <jaxb:property name="SASprocess" />
+ </appinfo>
+ </annotation>
+ <sequence>
+ <element name="name" minOccurs="0" maxOccurs="1"
+ type="string" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessName" />
+ </appinfo>
+ </annotation>
+ </element>
+ <element name="date" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="description" minOccurs="0" maxOccurs="1" />
+ <element name="term" minOccurs="0" maxOccurs="unbounded" type="tns:termType" />
+ <element name="SASprocessnote" minOccurs="1" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessNameAttr" />
+ </appinfo>
+ </annotation>
+ </attribute>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsourceType">
+ <sequence>
+ <element name="radiation" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="beam_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="beam_shape" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="wavelength" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_min" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_max" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_spread" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SAScollimationType">
+ <sequence>
+ <element name="length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="aperture" minOccurs="0"
+ maxOccurs="unbounded">
+ <complexType>
+ <sequence>
+ <element name="size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="distance" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="type" type="string" use="optional" default="" />
+ </complexType>
+ </element>
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SASdetectorType">
+ <sequence>
+ <element name="name" minOccurs="1" maxOccurs="1" type="string" default=""/>
+ <element name="SDD" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="offset" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="beam_center" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="pixel_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="slit_length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASinstrumentType">
+ <sequence>
+ <element name="name" type="string" minOccurs="1" maxOccurs="1" default="" />
+ <element name="SASsource" type="tns:SASsourceType" minOccurs="1" maxOccurs="1" />
+ <element name="SAScollimation" type="tns:SAScollimationType" minOccurs="1" maxOccurs="unbounded" />
+ <element name="SASdetector" type="tns:SASdetectorType" minOccurs="1" maxOccurs="unbounded" />
+ </sequence>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASentryType">
+ <sequence>
+ <element name="Title" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="Run" minOccurs="1" maxOccurs="unbounded">
+ <xsd:complexType>
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ </extension>
+ </simpleContent>
+ </xsd:complexType>
+ </element>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ <element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other">
+ <!-- Is a second *any* element needed here? -->
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Any when using JAXB -->
+ <jaxb:property name="SASentryAny2" />
+ </appinfo>
+ </annotation>
+ </xsd:any>
+ <element name="SASsample" type="tns:SASsampleType" />
+ <element name="SASinstrument" type="tns:SASinstrumentType" minOccurs="1" maxOccurs="1" />
+ <element name="SASprocess" type="tns:SASprocessType" minOccurs="0" maxOccurs="unbounded" />
+ <element name="SASnote" minOccurs="1" maxOccurs="unbounded" />
+ <!-- SASnote is a free-form element.
+ Do not define any content for it or it will become restrictive.
+ -->
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASrootType">
+ <sequence>
+ <element name="SASentry" minOccurs="1" maxOccurs="unbounded" type="tns:SASentryType" />
+ </sequence>
+ <attribute name="version" type="string" fixed="1.0" use="required" />
+ </complexType>
+
+ <element name="SASroot" type="tns:SASrootType" />
+
+</schema>
\ No newline at end of file
diff --git a/test/sasdataloader/test/cansas1d_v1_1.xsd b/test/sasdataloader/test/cansas1d_v1_1.xsd
new file mode 100644
index 0000000..c376e59
--- /dev/null
+++ b/test/sasdataloader/test/cansas1d_v1_1.xsd
@@ -0,0 +1,271 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="xsd-documentation.xsl" ?>
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+ xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+ xmlns:jaxb="http://java.sun.com/xml/ns/jaxb" jaxb:version="2.0"
+ targetNamespace="urn:cansas1d:1.1" xmlns:tns="urn:cansas1d:1.1"
+ elementFormDefault="qualified">
+
+<!--
+Copyright (c) 2013, UChicago Argonne, LLC
+This file is distributed subject to a Software License Agreement found
+in the file LICENSE that is included with this distribution.
+ -->
+
+<!-- JAXB: http://java.sun.com/developer/technicalArticles/WebServices/jaxb/ -->
+
+ <complexType name="floatUnitType">
+ <simpleContent>
+ <extension base="float">
+ <attribute name="unit" type="string" use="required" />
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <group name="positionGroup">
+ <sequence>
+ <element name="x" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="y" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="z" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="positionType">
+ <group ref="tns:positionGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <group name="orientationGroup">
+ <sequence>
+ <element name="roll" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="pitch" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ <element name="yaw" type="tns:floatUnitType" minOccurs="0" maxOccurs="1" />
+ </sequence>
+ </group>
+
+ <complexType name="orientationType">
+ <group ref="tns:orientationGroup" />
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="IdataType">
+ <sequence>
+ <element name="Q" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="I" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Idev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:choice>
+ <!-- [ [Qdev] | [[dQw] | [dQl]] ] -->
+ <element name="Qdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:sequence>
+ <element name="dQw" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="dQl" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ </xsd:sequence>
+ </xsd:choice>
+ <element name="Qmean" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <element name="Shadowfactor" minOccurs="0" maxOccurs="1" type="float" default="1.0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASdataType">
+ <sequence minOccurs="1" maxOccurs="1"> <!-- http://svn.cansas.org/trac/ticket/21 -->
+ <sequence>
+ <element name="Idata" minOccurs="1" maxOccurs="unbounded" type="tns:IdataType" />
+ </sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="timestamp" type="dateTime" use="optional" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="TdataType">
+ <sequence>
+ <element name="Lambda" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="T" minOccurs="1" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="Tdev" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" default="0" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SAStransmission_spectrumType">
+ <sequence minOccurs="1" maxOccurs="1">
+ <sequence minOccurs="1" maxOccurs="1">
+ <element name="Tdata" minOccurs="1" maxOccurs="unbounded" type="tns:TdataType" />
+ </sequence>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="timestamp" type="dateTime" use="optional" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsampleType">
+ <sequence>
+ <element name="ID" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="thickness" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="transmission" minOccurs="0" maxOccurs="1" type="float" />
+ <element name="temperature" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="position" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="details" minOccurs="0" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="termType">
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="unit" type="string" use="optional"/>
+ </extension>
+ </simpleContent>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASprocessType">
+ <annotation>
+ <appinfo>
+ <!-- JAXB: simplify class name -->
+ <jaxb:property name="SASprocess" />
+ </appinfo>
+ </annotation>
+ <sequence>
+ <element name="name" minOccurs="0" maxOccurs="1"
+ type="string" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessName" />
+ </appinfo>
+ </annotation>
+ </element>
+ <element name="date" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="description" minOccurs="0" maxOccurs="1" />
+ <element name="term" minOccurs="0" maxOccurs="unbounded" type="tns:termType" />
+ <element name="SASprocessnote" minOccurs="1" maxOccurs="unbounded" />
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="">
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Name when using JAXB -->
+ <jaxb:property name="SASprocessNameAttr" />
+ </appinfo>
+ </annotation>
+ </attribute>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASsourceType">
+ <sequence>
+ <element name="radiation" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="beam_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="beam_shape" minOccurs="0" maxOccurs="1" type="string" />
+ <element name="wavelength" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_min" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_max" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="wavelength_spread" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SAScollimationType">
+ <sequence>
+ <element name="length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="aperture" minOccurs="0"
+ maxOccurs="unbounded">
+ <complexType>
+ <sequence>
+ <element name="size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="distance" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ <attribute name="type" type="string" use="optional" default="" />
+ </complexType>
+ </element>
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <complexType name="SASdetectorType">
+ <sequence>
+ <element name="name" minOccurs="1" maxOccurs="1" type="string" default=""/>
+ <element name="SDD" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ <element name="offset" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="orientation" minOccurs="0" maxOccurs="1" type="tns:orientationType" />
+ <element name="beam_center" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="pixel_size" minOccurs="0" maxOccurs="1" type="tns:positionType" />
+ <element name="slit_length" minOccurs="0" maxOccurs="1" type="tns:floatUnitType" />
+ </sequence>
+ </complexType>
+
+ <complexType name="SASinstrumentType">
+ <sequence>
+ <element name="name" type="string" minOccurs="1" maxOccurs="1" default="" />
+ <element name="SASsource" type="tns:SASsourceType" minOccurs="1" maxOccurs="1" />
+ <element name="SAScollimation" type="tns:SAScollimationType" minOccurs="1" maxOccurs="unbounded" />
+ <element name="SASdetector" type="tns:SASdetectorType" minOccurs="1" maxOccurs="unbounded" />
+ </sequence>
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASentryType">
+ <sequence>
+ <element name="Title" minOccurs="1" maxOccurs="1" type="string" />
+ <element name="Run" minOccurs="1" maxOccurs="unbounded">
+ <xsd:complexType>
+ <simpleContent>
+ <extension base="string">
+ <attribute name="name" type="string" use="optional" default="" />
+ </extension>
+ </simpleContent>
+ </xsd:complexType>
+ </element>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other" />
+ <element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />
+ <element name="SAStransmission_spectrum" minOccurs="0" maxOccurs="unbounded" type="tns:SAStransmission_spectrumType"/>
+ <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="skip" namespace="##other">
+ <!-- Is a second *any* element needed here? -->
+ <annotation>
+ <appinfo>
+ <!-- Remap collision of Any when using JAXB -->
+ <jaxb:property name="SASentryAny2" />
+ </appinfo>
+ </annotation>
+ </xsd:any>
+ <element name="SASsample" type="tns:SASsampleType" />
+ <element name="SASinstrument" type="tns:SASinstrumentType" minOccurs="1" maxOccurs="1" />
+ <element name="SASprocess" type="tns:SASprocessType" minOccurs="0" maxOccurs="unbounded" />
+ <element name="SASnote" minOccurs="1" maxOccurs="unbounded" />
+ <!-- SASnote is a free-form element.
+ Do not define any content for it or it will become restrictive.
+ -->
+ </sequence>
+ <attribute name="name" type="string" use="optional" default="" />
+ </complexType>
+
+ <!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
+
+ <complexType name="SASrootType">
+ <sequence>
+ <element name="SASentry" minOccurs="1" maxOccurs="unbounded" type="tns:SASentryType" />
+ </sequence>
+ <attribute name="version" type="string" fixed="1.1" use="required" />
+ </complexType>
+
+ <element name="SASroot" type="tns:SASrootType" />
+
+</schema>
diff --git a/test/sasdataloader/test/cansas_1Dand2D_multiplesasentry_multiplesasdata.h5 b/test/sasdataloader/test/cansas_1Dand2D_multiplesasentry_multiplesasdata.h5
new file mode 100644
index 0000000..e0c2160
Binary files /dev/null and b/test/sasdataloader/test/cansas_1Dand2D_multiplesasentry_multiplesasdata.h5 differ
diff --git a/test/sasdataloader/test/cansas_1Dand2D_samedatafile.h5 b/test/sasdataloader/test/cansas_1Dand2D_samedatafile.h5
new file mode 100644
index 0000000..0a8cbb7
Binary files /dev/null and b/test/sasdataloader/test/cansas_1Dand2D_samedatafile.h5 differ
diff --git a/test/sasdataloader/test/cansas_1Dand2D_samesasentry.h5 b/test/sasdataloader/test/cansas_1Dand2D_samesasentry.h5
new file mode 100644
index 0000000..9677a5d
Binary files /dev/null and b/test/sasdataloader/test/cansas_1Dand2D_samesasentry.h5 differ
diff --git a/test/sasdataloader/test/cansas_test.xml b/test/sasdataloader/test/cansas_test.xml
new file mode 100644
index 0000000..cb98ed3
--- /dev/null
+++ b/test/sasdataloader/test/cansas_test.xml
@@ -0,0 +1,106 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>ILL-D11 example1: 2A 5mM 0%D2O</Title>
+ <Run>g013586.001</Run>
+ <SASdata>
+ <Idata><Q unit="1/A"> 0.000E+00 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 0.00E+00 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.047E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 9.14E-04 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.094E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 9.32E-04 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.142E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 9.61E-04 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 4.189E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 1.00E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 5.364E-03 </Q><I unit="1/cm"> 5.4484E+00 </I><Idev unit="1/cm"> 1.647E-01 </Idev><Qdev unit="1/A"> 1.05E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 6.255E-03 </Q><I unit="1/cm"> 4.9963E+00 </I><Idev unit="1/cm"> 9.122E-02 </Idev><Qdev unit="1/A"> 1.10E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 7.299E-03 </Q><I unit="1/cm"> 4.6705E+00 </I><Idev unit="1/cm"> 7.450E-02 </Idev><Qdev unit="1/A"> 1.17E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 8.340E-03 </Q><I unit="1/cm"> 4.2690E+00 </I><Idev unit="1/cm"> 5.745E-02 </Idev><Qdev unit="1/A"> 1.23E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 9.395E-03 </Q><I unit="1/cm"> 4.0078E+00 </I><Idev unit="1/cm"> 5.484E-02 </Idev><Qdev unit="1/A"> 1.31E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.045E-02 </Q><I unit="1/cm"> 3.8409E+00 </I><Idev unit="1/cm"> 4.939E-02 </Idev><Qdev unit="1/A"> 1.38E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.151E-02 </Q><I unit="1/cm"> 3.6579E+00 </I><Idev unit="1/cm"> 4.750E-02 </Idev><Qdev unit="1/A"> 1.47E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.258E-02 </Q><I unit="1/cm"> 3.4413E+00 </I><Idev unit="1/cm"> 4.344E-02 </Idev><Qdev unit="1/A"> 1.55E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.362E-02 </Q><I unit="1/cm"> 3.2571E+00 </I><Idev unit="1/cm"> 4.197E-02 </Idev><Qdev unit="1/A"> 1.64E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.465E-02 </Q><I unit="1/cm"> 3.0475E+00 </I><Idev unit="1/cm"> 4.016E-02 </Idev><Qdev unit="1/A"> 1.72E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.570E-02 </Q><I unit="1/cm"> 2.9447E+00 </I><Idev unit="1/cm"> 3.703E-02 </Idev><Qdev unit="1/A"> 1.81E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.674E-02 </Q><I unit="1/cm"> 2.8542E+00 </I><Idev unit="1/cm"> 3.706E-02 </Idev><Qdev unit="1/A"> 1.90E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.779E-02 </Q><I unit="1/cm"> 2.6221E+00 </I><Idev unit="1/cm"> 3.293E-02 </Idev><Qdev unit="1/A"> 2.00E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.886E-02 </Q><I unit="1/cm"> 2.5466E+00 </I><Idev unit="1/cm"> 3.318E-02 </Idev><Qdev unit="1/A"> 2.09E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.989E-02 </Q><I unit="1/cm"> 2.4346E+00 </I><Idev unit="1/cm"> 3.203E-02 </Idev><Qdev unit="1/A"> 2.19E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.093E-02 </Q><I unit="1/cm"> 2.2702E+00 </I><Idev unit="1/cm"> 3.034E-02 </Idev><Qdev unit="1/A"> 2.28E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.198E-02 </Q><I unit="1/cm"> 2.2182E+00 </I><Idev unit="1/cm"> 3.011E-02 </Idev><Qdev unit="1/A"> 2.38E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.303E-02 </Q><I unit="1/cm"> 2.0914E+00 </I><Idev unit="1/cm"> 2.798E-02 </Idev><Qdev unit="1/A"> 2.48E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.408E-02 </Q><I unit="1/cm"> 2.0097E+00 </I><Idev unit="1/cm"> 2.795E-02 </Idev><Qdev unit="1/A"> 2.57E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.511E-02 </Q><I unit="1/cm"> 1.9056E+00 </I><Idev unit="1/cm"> 2.684E-02 </Idev><Qdev unit="1/A"> 2.67E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.617E-02 </Q><I unit="1/cm"> 1.8275E+00 </I><Idev unit="1/cm"> 2.559E-02 </Idev><Qdev unit="1/A"> 2.77E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.724E-02 </Q><I unit="1/cm"> 1.7406E+00 </I><Idev unit="1/cm"> 2.508E-02 </Idev><Qdev unit="1/A"> 2.87E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.828E-02 </Q><I unit="1/cm"> 1.6591E+00 </I><Idev unit="1/cm"> 2.441E-02 </Idev><Qdev unit="1/A"> 2.97E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.932E-02 </Q><I unit="1/cm"> 1.5903E+00 </I><Idev unit="1/cm"> 2.451E-02 </Idev><Qdev unit="1/A"> 3.07E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.035E-02 </Q><I unit="1/cm"> 1.4810E+00 </I><Idev unit="1/cm"> 2.289E-02 </Idev><Qdev unit="1/A"> 3.17E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.140E-02 </Q><I unit="1/cm"> 1.4093E+00 </I><Idev unit="1/cm"> 2.279E-02 </Idev><Qdev unit="1/A"> 3.27E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.242E-02 </Q><I unit="1/cm"> 1.3394E+00 </I><Idev unit="1/cm"> 2.281E-02 </Idev><Qdev unit="1/A"> 3.37E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.349E-02 </Q><I unit="1/cm"> 1.2679E+00 </I><Idev unit="1/cm"> 2.555E-02 </Idev><Qdev unit="1/A"> 3.47E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.454E-02 </Q><I unit="1/cm"> 1.2336E+00 </I><Idev unit="1/cm"> 2.911E-02 </Idev><Qdev unit="1/A"> 3.57E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.560E-02 </Q><I unit="1/cm"> 1.1766E+00 </I><Idev unit="1/cm"> 2.880E-02 </Idev><Qdev unit="1/A"> 3.67E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.666E-02 </Q><I unit="1/cm"> 1.0849E+00 </I><Idev unit="1/cm"> 3.269E-02 </Idev><Qdev unit="1/A"> 3.78E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.750E-02 </Q><I unit="1/cm"> 1.0130E+00 </I><Idev unit="1/cm"> 5.246E-02 </Idev><Qdev unit="1/A"> 3.86E-03 </Qdev></Idata>
+ </SASdata>
+ <SASsample>
+ <thickness unit="mm">0.0000</thickness>
+ <transmission>0.0000</transmission>
+ <temperature unit="C">32.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">0.020<!-- was: sample_offset_angle_deg --></roll>
+ </orientation>
+ </SASsample>
+ <SASinstrument name="D11">
+ <SASsource>
+ <radiation>neutron</radiation>
+ <beam_size>
+ <x unit="mm">30.00</x>
+ <y unit="mm">0.00</y>
+ </beam_size>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_spread unit="A">0.00</wavelength_spread>
+ </SASsource>
+ <SAScollimation>
+ <distance unit="m">10.000</distance>
+ </SAScollimation>
+ <SASdetector>
+ <name />
+ <SDD unit="m">10.000</SDD>
+ <orientation>
+ <roll unit="degree">0.00<!-- was: offset_angle_deg --></roll>
+ </orientation>
+ <beam_center>
+ <x unit="mm">311.00</x>
+ <y unit="mm">315.00</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">10.00</x>
+ <y unit="mm">10.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess name="spol" >
+ <name>spol</name>
+ <date>04-Sep-2007 18:12:27</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="deg">180.0</term>
+ <term name="sector_orient" unit="deg">0.0</term>
+ <term name="Flux_monitor">1.00</term>
+ <term name="Count_time" unit="s">900.000</term>
+ <term name="Q_resolution">estimated</term>
+ <SASprocessnote name="01"> AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.1111E+01 XsA4 5.2200E-02 XfA5 0.0000E+00 </SASprocessnote>
+ <SASprocessnote name="02"> S... 13586 0 5.63E+01 2A 5mM 0%D2O Sbak 13567 0 1.88E+01 H2O buffer </SASprocessnote>
+ <SASprocessnote name="03"> Sbak 13533 0 7.49E+00 H2O buffer V... 13552 1 1.00E+00 Normal 10m from </SASprocessnote>
+ <SASprocessnote name="04" />
+</SASprocess>
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/cansas_test_modified.xml b/test/sasdataloader/test/cansas_test_modified.xml
new file mode 100644
index 0000000..0ab17c3
--- /dev/null
+++ b/test/sasdataloader/test/cansas_test_modified.xml
@@ -0,0 +1,109 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>ILL-D11 example1: 2A 5mM 0%D2O</Title>
+ <Run>g013586.001</Run>
+ <SASdata>
+ <Idata><Q unit="1/A"> 0.000E+00 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 0.00E+00 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.047E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 9.14E-04 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.094E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 9.32E-04 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.142E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 9.61E-04 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 4.189E-03 </Q><I unit="1/cm"> 0.0000E+00 </I><Idev unit="1/cm"> 0.000E+00 </Idev><Qdev unit="1/A"> 1.00E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 5.364E-03 </Q><I unit="1/cm"> 5.4484E+00 </I><Idev unit="1/cm"> 1.647E-01 </Idev><Qdev unit="1/A"> 1.05E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 6.255E-03 </Q><I unit="1/cm"> 4.9963E+00 </I><Idev unit="1/cm"> 9.122E-02 </Idev><Qdev unit="1/A"> 1.10E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 7.299E-03 </Q><I unit="1/cm"> 4.6705E+00 </I><Idev unit="1/cm"> 7.450E-02 </Idev><Qdev unit="1/A"> 1.17E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 8.340E-03 </Q><I unit="1/cm"> 4.2690E+00 </I><Idev unit="1/cm"> 5.745E-02 </Idev><Qdev unit="1/A"> 1.23E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 9.395E-03 </Q><I unit="1/cm"> 4.0078E+00 </I><Idev unit="1/cm"> 5.484E-02 </Idev><Qdev unit="1/A"> 1.31E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.045E-02 </Q><I unit="1/cm"> 3.8409E+00 </I><Idev unit="1/cm"> 4.939E-02 </Idev><Qdev unit="1/A"> 1.38E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.151E-02 </Q><I unit="1/cm"> 3.6579E+00 </I><Idev unit="1/cm"> 4.750E-02 </Idev><Qdev unit="1/A"> 1.47E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.258E-02 </Q><I unit="1/cm"> 3.4413E+00 </I><Idev unit="1/cm"> 4.344E-02 </Idev><Qdev unit="1/A"> 1.55E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.362E-02 </Q><I unit="1/cm"> 3.2571E+00 </I><Idev unit="1/cm"> 4.197E-02 </Idev><Qdev unit="1/A"> 1.64E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.465E-02 </Q><I unit="1/cm"> 3.0475E+00 </I><Idev unit="1/cm"> 4.016E-02 </Idev><Qdev unit="1/A"> 1.72E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.570E-02 </Q><I unit="1/cm"> 2.9447E+00 </I><Idev unit="1/cm"> 3.703E-02 </Idev><Qdev unit="1/A"> 1.81E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.674E-02 </Q><I unit="1/cm"> 2.8542E+00 </I><Idev unit="1/cm"> 3.706E-02 </Idev><Qdev unit="1/A"> 1.90E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.779E-02 </Q><I unit="1/cm"> 2.6221E+00 </I><Idev unit="1/cm"> 3.293E-02 </Idev><Qdev unit="1/A"> 2.00E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.886E-02 </Q><I unit="1/cm"> 2.5466E+00 </I><Idev unit="1/cm"> 3.318E-02 </Idev><Qdev unit="1/A"> 2.09E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 1.989E-02 </Q><I unit="1/cm"> 2.4346E+00 </I><Idev unit="1/cm"> 3.203E-02 </Idev><Qdev unit="1/A"> 2.19E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.093E-02 </Q><I unit="1/cm"> 2.2702E+00 </I><Idev unit="1/cm"> 3.034E-02 </Idev><Qdev unit="1/A"> 2.28E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.198E-02 </Q><I unit="1/cm"> 2.2182E+00 </I><Idev unit="1/cm"> 3.011E-02 </Idev><Qdev unit="1/A"> 2.38E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.303E-02 </Q><I unit="1/cm"> 2.0914E+00 </I><Idev unit="1/cm"> 2.798E-02 </Idev><Qdev unit="1/A"> 2.48E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.408E-02 </Q><I unit="1/cm"> 2.0097E+00 </I><Idev unit="1/cm"> 2.795E-02 </Idev><Qdev unit="1/A"> 2.57E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.511E-02 </Q><I unit="1/cm"> 1.9056E+00 </I><Idev unit="1/cm"> 2.684E-02 </Idev><Qdev unit="1/A"> 2.67E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.617E-02 </Q><I unit="1/cm"> 1.8275E+00 </I><Idev unit="1/cm"> 2.559E-02 </Idev><Qdev unit="1/A"> 2.77E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.724E-02 </Q><I unit="1/cm"> 1.7406E+00 </I><Idev unit="1/cm"> 2.508E-02 </Idev><Qdev unit="1/A"> 2.87E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.828E-02 </Q><I unit="1/cm"> 1.6591E+00 </I><Idev unit="1/cm"> 2.441E-02 </Idev><Qdev unit="1/A"> 2.97E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 2.932E-02 </Q><I unit="1/cm"> 1.5903E+00 </I><Idev unit="1/cm"> 2.451E-02 </Idev><Qdev unit="1/A"> 3.07E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.035E-02 </Q><I unit="1/cm"> 1.4810E+00 </I><Idev unit="1/cm"> 2.289E-02 </Idev><Qdev unit="1/A"> 3.17E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.140E-02 </Q><I unit="1/cm"> 1.4093E+00 </I><Idev unit="1/cm"> 2.279E-02 </Idev><Qdev unit="1/A"> 3.27E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.242E-02 </Q><I unit="1/cm"> 1.3394E+00 </I><Idev unit="1/cm"> 2.281E-02 </Idev><Qdev unit="1/A"> 3.37E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.349E-02 </Q><I unit="1/cm"> 1.2679E+00 </I><Idev unit="1/cm"> 2.555E-02 </Idev><Qdev unit="1/A"> 3.47E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.454E-02 </Q><I unit="1/cm"> 1.2336E+00 </I><Idev unit="1/cm"> 2.911E-02 </Idev><Qdev unit="1/A"> 3.57E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.560E-02 </Q><I unit="1/cm"> 1.1766E+00 </I><Idev unit="1/cm"> 2.880E-02 </Idev><Qdev unit="1/A"> 3.67E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.666E-02 </Q><I unit="1/cm"> 1.0849E+00 </I><Idev unit="1/cm"> 3.269E-02 </Idev><Qdev unit="1/A"> 3.78E-03 </Qdev></Idata>
+ <Idata><Q unit="1/A"> 3.750E-02 </Q><I unit="1/cm"> 1.0130E+00 </I><Idev unit="1/cm"> 5.246E-02 </Idev><Qdev unit="1/A"> 3.86E-03 </Qdev></Idata>
+ </SASdata>
+ <SASsample>
+ <ID>This is a test file</ID>
+ <thickness unit="mm">0.0000</thickness>
+ <transmission>0.0000</transmission>
+ <temperature unit="C">32.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">0.020<!-- was: sample_offset_angle_deg --></roll>
+ </orientation>
+ </SASsample>
+ <SASinstrument>
+ <name>D11</name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <beam_size>
+ <x unit="mm">30.00</x>
+ <y unit="mm">0.00</y>
+ </beam_size>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_spread unit="A">0.00</wavelength_spread>
+ </SASsource>
+ <SAScollimation>
+ <length unit="m">10.000</length>
+ </SAScollimation>
+ <SASdetector>
+ <name />
+ <SDD unit="m">10.000</SDD>
+ <orientation>
+ <roll unit="degree">0.00<!-- was: offset_angle_deg --></roll>
+ </orientation>
+ <beam_center>
+ <x unit="mm">311.00</x>
+ <y unit="mm">315.00</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">10.00</x>
+ <y unit="mm">10.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess name="spol" >
+ <name>spol</name>
+ <date>04-Sep-2007 18:12:27</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="deg">180.0</term>
+ <term name="sector_orient" unit="deg">0.0</term>
+ <term name="Flux_monitor">1.00</term>
+ <term name="Count_time" unit="s">900.000</term>
+ <term name="Q_resolution">estimated</term>
+ <SASprocessnote name="01"> AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.1111E+01 XsA4 5.2200E-02 XfA5 0.0000E+00 </SASprocessnote>
+ <SASprocessnote name="02"> S... 13586 0 5.63E+01 2A 5mM 0%D2O Sbak 13567 0 1.88E+01 H2O buffer </SASprocessnote>
+ <SASprocessnote name="03"> Sbak 13533 0 7.49E+00 H2O buffer V... 13552 1 1.00E+00 Normal 10m from </SASprocessnote>
+ <SASprocessnote name="04" />
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasdataloader/test/corrupt.png b/test/sasdataloader/test/corrupt.png
new file mode 100644
index 0000000..a7580df
--- /dev/null
+++ b/test/sasdataloader/test/corrupt.png
@@ -0,0 +1,16403 @@
+FILE: MAR07232.SA3_LP _V948 CREATED: Tuesday, Mar 13, 2007 12:49:09 PM
+LABEL: 13m Rad 0.5Pa Fib1 Th 0.16 PH7.4 Ca 2.5mM
+MON CNT LAMBDA(A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+ 13.705 0.84357 0.2
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+ 38 17.5 15.723 0.142 76.2 ORNL
+SAM: MAR07232.SA3_LP _V948
+BGD: MAR07171.SA3_LP_V887,
+EMP: MAR07060.SA3_LP_V776,MAR07061.SA3_LP_V777,
+DIV: PLEX_04JAN07_NG3.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=84.433;XSECT=1
+Average Choices: AVTYPE=2D_ASCII;SAVE=Yes;NAME=Auto;PLOT=Yes;
+
+*** Data written from ABS folder and may not be a fully corrected data file ***
+The detector image is a standard X-Y coordinate system
+Data is written by row, starting with Y=1 and X=(1->128)
+ASCII data created Tuesday, Mar 13, 2007 12:49:09 PM
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+-0.0804284
+-0.344996
+-0.0798361
+0.0520685
+0.0160177
+-0.140007
\ No newline at end of file
diff --git a/test/sasdataloader/test/cyl_400_20.txt b/test/sasdataloader/test/cyl_400_20.txt
new file mode 100644
index 0000000..dc0a511
--- /dev/null
+++ b/test/sasdataloader/test/cyl_400_20.txt
@@ -0,0 +1,22 @@
+<X> <Y>
+0 -1.#IND
+0.025 125.852
+0.05 53.6662
+0.075 26.0733
+0.1 11.8935
+0.125 4.61714
+0.15 1.29983
+0.175 0.171347
+0.2 0.0417614
+0.225 0.172719
+0.25 0.247876
+0.275 0.20301
+0.3 0.104599
+0.325 0.0285595
+0.35 0.00213344
+0.375 0.0137511
+0.4 0.0312374
+0.425 0.0350328
+0.45 0.0243172
+0.475 0.00923067
+0.5 0.00121297
diff --git a/test/sasdataloader/test/empty.txt b/test/sasdataloader/test/empty.txt
new file mode 100644
index 0000000..e69de29
diff --git a/test/sasdataloader/test/error_conditions.py b/test/sasdataloader/test/error_conditions.py
new file mode 100644
index 0000000..528a3ce
--- /dev/null
+++ b/test/sasdataloader/test/error_conditions.py
@@ -0,0 +1,31 @@
+from sas.sascalc.dataloader.loader import Loader
+import unittest
+
+class testLoader(unittest.TestCase):
+ def setUp(self):
+ self.s = Loader()
+
+ def test_load_unknown(self):
+ """
+ self.s.load('blah.mat') on an unknown type
+ should raise a ValueError exception (thrown by data_util.registry)
+ """
+ self.assertRaises(ValueError, self.s.load, 'angles_flat.mat')
+
+ def test_corrupt(self):
+ """
+ Loading a corrupted file with a known extension
+ should raise a runtime exception.
+ The error condition is similar to an unknown
+ type (file extension). When a reader is identified as
+ knowing the file extension, it tries to load. If it
+ raises an exception, the system should try to identify
+ another reader that knows about that file extension.
+ If they all fail, we raise a runtime exception stating
+ that no reader was found for this file.
+ """
+ self.assertRaises(RuntimeError, self.s.load, 'corrupt.png')
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/sasdataloader/test/exp18_14_igor_2dqxqy.dat b/test/sasdataloader/test/exp18_14_igor_2dqxqy.dat
new file mode 100644
index 0000000..54b32aa
--- /dev/null
+++ b/test/sasdataloader/test/exp18_14_igor_2dqxqy.dat
@@ -0,0 +1,36883 @@
+FILE: HiResSANS_exp18_scan0014_0001.xml CREATED: Mon, Feb 22, 2010 5:36:16 PM
+LABEL: Scatt 3m 6A cho
+MON CNT LAMBDA (A) DET_OFF(cm) DET_DIST(m) TRANS THICK(cm)
+1e+08 6 0 3 1 0
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+21.167 95.978 0 4 17.495 0.1 76 HiResSANS
+SAM: HiResSANS_exp18_scan0014_0001.xml
+BGD: Unknown file from Average_Panel
+EMP: Unknown file from Average_Panel
+DIV: Unknown file from Average_Panel
+MASK: Unknown file from Average_Panel
+ABS Parameters (3-6): Unknown file from Average_Panel
+Average Choices: Unknown file from Average_Panel
+
+*** Data written from COR folder and may not be a fully corrected data file ***
+Data columns are Qx - Qy - I(Qx,Qy) - Qz - SigmaQx - SigmaQy - fSubS(beam stop shadow)
+
+ASCII data created Mon, Feb 22, 2010 5:39:51 PM
+
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+0.20315 0.1669637 18061.06 0.03355268 0 0 0
+0.2048225 0.1669097 9483.004 0.03388043 0 0 0
+0.2064935 0.1668553 15126.96 0.03421065 0 0 0
+0.2081628 0.1668005 9203.048 0.03454333 0 0 0
+0.2098304 0.1667453 14262.72 0.03487847 0 0 0
+0.2114964 0.1666897 11598.99 0.03521606 0 0 0
+0.2131607 0.1666337 12204.96 0.03555609 0 0 0
+0.2148233 0.1665773 13408.03 0.03589855 0 0 0
+0.2164842 0.1665205 9245.211 0.03624344 0 0 0
+0.2181435 0.1664633 13731.52 0.03659074 0 0 0
+0.219801 0.1664057 11652.89 0.03694046 0 0 0
+0.2214568 0.1663477 11065.78 0.03729257 0 0 0
+0.2231108 0.1662893 11076.34 0.03764708 0 0 0
+0.2247631 0.1662305 10487.68 0.03800397 0 0 0
+0.2264136 0.1661713 12897.33 0.03836324 0 0 0
+0.2280624 0.1661117 9607.355 0.03872487 0 0 0
+0.2297094 0.1660518 10818.87 0.03908887 0 0 0
+0.2313546 0.1659914 11732 0.03945522 0 0 0
+0.232998 0.1659307 10840.29 0.03982392 0 0 0
+0.2346396 0.1658696 9645.441 0.04019495 0 0 0
+0.2362794 0.1658081 10258.59 0.0405683 0 0 0
+0.2379173 0.1657462 10571 0.04094398 0 0 0
+0.2395534 0.165684 11791.11 0.04132197 0 0 0
+0.2411877 0.1656213 7263.505 0.04170226 0 0 0
+0.2428201 0.1655583 9997.619 0.04208484 0 0 0
+0.2444506 0.1654949 10311.27 0.04246971 0 0 0
+0.2460793 0.1654311 8804.085 0.04285685 0 0 0
+0.247706 0.165367 9117.238 0.04324627 0 0 0
+0.2493309 0.1653025 11256.47 0.04363794 0 0 0
+0.2509539 0.1652376 11268.44 0.04403186 0 0 0
+0.2525749 0.1651723 12804.88 0.04442802 0 0 0
+0.2541941 0.1651067 10682.21 0.04482643 0 0 0
+0.2558112 0.1650407 12526.98 0.04522705 0 0 0
+0.2574265 0.1649744 9787.792 0.04562989 0 0 0
+0.2590398 0.1649076 8267.485 0.04603494 0 0 0
+0.2606511 0.1648406 9809.282 0.04644218 0 0 0
+0.2622604 0.1647731 11968.29 0.04685162 0 0 0
+0.2638678 0.1647053 11367.17 0.04726323 0 0 0
+0.2654732 0.1646372 9226.936 0.04767702 0 0 0
+0.2670766 0.1645687 12932.24 0.04809297 0 0 0
+0.2686779 0.1644998 9864.284 0.04851107 0 0 0
+0.2702773 0.1644306 9566.893 0.04893132 0 0 0
+0.2718747 0.164361 8650.945 0.04935371 0 0 0
+0.27347 0.1642911 8970.209 0.04977822 0 0 0
+0.2750632 0.1642208 9909.6 0.05020485 0 0 0
+0.2766545 0.1641502 8991.007 0.05063359 0 0 0
+0.2782436 0.1640792 9622.301 0.05106442 0 0 0
+0.2798307 0.1640079 9633.596 0.05149736 0 0 0
+0.2814158 0.1639363 8711.578 0.05193236 0 0 0
+0.2829987 0.1638643 6852.928 0.05236945 0 0 0
+0.2845795 0.1637919 7484.831 0.05280859 0 0 0
+0.2861583 0.1637193 10928.46 0.05324979 0 0 0
+0.287735 0.1636462 10316.37 0.05369303 0 0 0
+0.2893095 0.1635729 6572.908 0.05413831 0 0 0
+0.2908819 0.1634992 8147.779 0.05458562 0 0 0
diff --git a/test/sasdataloader/test/isis_1_0_write_test.xml b/test/sasdataloader/test/isis_1_0_write_test.xml
new file mode 100644
index 0000000..e69de29
diff --git a/test/sasdataloader/test/isis_1_1_write_test.xml b/test/sasdataloader/test/isis_1_1_write_test.xml
new file mode 100644
index 0000000..e69de29
diff --git a/test/sasdataloader/test/jan08002.ABS b/test/sasdataloader/test/jan08002.ABS
new file mode 100644
index 0000000..f74efd0
--- /dev/null
+++ b/test/sasdataloader/test/jan08002.ABS
@@ -0,0 +1,141 @@
+FILE: jan08002.SA2_BH _R556 CREATED: Mon, Jan 21, 2008 1:34:58 PM
+LABEL: scatt 1m sam1
+MON CNT LAMBDA DET ANG DET DIST TRANS THICK AVE STEP
+1e+08 6 25 1 0.5667 0.2C 1
+BCENT(X,Y) A1(mm) A2(mm) A1A2DIST(m) DL/L BSTOP(mm) DET_TYP
+114.58 64.22 50 12.7 3.914 0.124 50.8 ORNL
+SAM: jan08002.SA2_BH _R556
+BGD: JAN08008.SA2_BH_R562,
+EMP: JAN08007.SA2_BH_R561,
+DIV: PLEX_04JAN2008_NG7.DIV,
+MASK: DEFAULT.MASK,
+ABS Parameters (3-6): TSTAND=1;DSTAND=1;IZERO=2.547e+05;XSECT=1
+Average Choices: AVTYPE=Circular;SAVE=Yes;NAME=Auto;PLOT=Yes;
+The 6 columns are | Q (1/A) | I(Q) (1/cm) | std. dev. I(Q) (1/cm) | sigmaQ | meanQ | ShadowFactor|
+ 0.002618 0.02198 0.002704 0.0004091 0.008082 1e-10
+ 0.007854 0.02201 0.001643 0.005587 0.0275 1.564e-12
+ 0.01309 0.02695 0.002452 0.005598 0.02762 2.525e-07
+ 0.01832 0.02645 0.001769 0.005624 0.02787 0.001046
+ 0.02356 0.03024 0.001531 0.005707 0.02847 0.1293
+ 0.02879 0.3927 0.1697 0.005975 0.03031 0.7933
+ 0.03402 7.305 1.006 0.006264 0.03457 0.9972
+ 0.03925 17.43 0.5351 0.006344 0.0397 1
+ 0.04448 13.43 0.3677 0.006424 0.04488 1
+ 0.0497 8.346 0.191 0.006516 0.05006 1
+ 0.05492 5.675 0.09792 0.006618 0.05525 1
+ 0.06014 4.082 0.06715 0.006729 0.06044 1
+ 0.06535 3.024 0.04365 0.00685 0.06563 1
+ 0.07057 2.318 0.0305 0.006978 0.07082 1
+ 0.07577 1.806 0.02063 0.007114 0.07601 1
+ 0.08098 1.458 0.01505 0.007257 0.0812 1
+ 0.08617 1.197 0.01074 0.007407 0.08638 1
+ 0.09137 1.014 0.008015 0.007563 0.09156 1
+ 0.09656 0.8775 0.006137 0.007724 0.09674 1
+ 0.1017 0.779 0.004953 0.007891 0.1019 1
+ 0.1069 0.6975 0.003432 0.008062 0.1071 1
+ 0.1121 0.6303 0.003423 0.008238 0.1122 1
+ 0.1173 0.5814 0.002674 0.008418 0.1174 1
+ 0.1224 0.545 0.002592 0.008603 0.1226 1
+ 0.1276 0.5119 0.002274 0.00879 0.1277 1
+ 0.1327 0.4836 0.002107 0.008981 0.1328 1
+ 0.1379 0.4639 0.002137 0.009176 0.138 1
+ 0.143 0.4467 0.001949 0.009373 0.1431 1
+ 0.1481 0.433 0.002154 0.009572 0.1482 1
+ 0.1532 0.418 0.001879 0.009774 0.1533 1
+ 0.1583 0.404 0.00152 0.009979 0.1584 1
+ 0.1634 0.394 0.001795 0.01019 0.1635 1
+ 0.1685 0.3846 0.001611 0.01039 0.1686 1
+ 0.1736 0.3801 0.00169 0.0106 0.1737 1
+ 0.1787 0.3745 0.001626 0.01082 0.1788 1
+ 0.1837 0.3672 0.001738 0.01103 0.1838 1
+ 0.1888 0.3628 0.001329 0.01124 0.1889 1
+ 0.1938 0.3565 0.001586 0.01146 0.1939 1
+ 0.1988 0.3529 0.001491 0.01167 0.1989 1
+ 0.2039 0.3486 0.001576 0.01189 0.204 1
+ 0.2089 0.346 0.001404 0.01211 0.209 1
+ 0.2139 0.3437 0.001433 0.01233 0.214 1
+ 0.2189 0.3402 0.001474 0.01255 0.2189 1
+ 0.2238 0.3389 0.001456 0.01277 0.2239 1
+ 0.2288 0.3353 0.001414 0.01299 0.2289 1
+ 0.2338 0.3348 0.001335 0.01322 0.2338 1
+ 0.2387 0.3308 0.001375 0.01344 0.2388 1
+ 0.2436 0.3279 0.001338 0.01366 0.2437 1
+ 0.2485 0.3275 0.001351 0.01388 0.2486 1
+ 0.2535 0.3234 0.001382 0.01411 0.2535 1
+ 0.2583 0.3229 0.001311 0.01433 0.2584 1
+ 0.2632 0.3215 0.001243 0.01455 0.2633 1
+ 0.2681 0.3213 0.001158 0.01478 0.2681 1
+ 0.2729 0.3207 0.001265 0.015 0.273 1
+ 0.2778 0.3173 0.001306 0.01522 0.2778 1
+ 0.2826 0.3183 0.001289 0.01545 0.2827 1
+ 0.2874 0.3168 0.001353 0.01567 0.2875 1
+ 0.2922 0.317 0.001278 0.0159 0.2923 1
+ 0.297 0.316 0.001284 0.01612 0.297 1
+ 0.3018 0.316 0.001155 0.01634 0.3018 1
+ 0.3065 0.3143 0.001252 0.01656 0.3066 1
+ 0.3112 0.3137 0.001296 0.01679 0.3113 1
+ 0.316 0.3122 0.001338 0.01701 0.316 1
+ 0.3207 0.3119 0.001458 0.01723 0.3207 1
+ 0.3254 0.3116 0.001401 0.01745 0.3254 1
+ 0.33 0.3121 0.001451 0.01768 0.3301 1
+ 0.3347 0.3122 0.001458 0.0179 0.3348 1
+ 0.3394 0.3105 0.001484 0.01812 0.3394 1
+ 0.344 0.3124 0.001495 0.01834 0.344 1
+ 0.3486 0.3096 0.001373 0.01856 0.3486 1
+ 0.3532 0.3107 0.001554 0.01878 0.3532 1
+ 0.3578 0.3099 0.001365 0.019 0.3578 1
+ 0.3623 0.3087 0.001357 0.01921 0.3624 1
+ 0.3669 0.3109 0.001621 0.01943 0.3669 1
+ 0.3714 0.3104 0.001505 0.01965 0.3715 1
+ 0.3759 0.3094 0.001404 0.01987 0.376 1
+ 0.3804 0.3102 0.001422 0.02008 0.3805 1
+ 0.3849 0.3074 0.001452 0.0203 0.385 1
+ 0.3894 0.3097 0.001307 0.02051 0.3894 1
+ 0.3938 0.3052 0.001569 0.02073 0.3939 1
+ 0.3983 0.3052 0.001521 0.02094 0.3983 1
+ 0.4027 0.3064 0.001583 0.02116 0.4027 1
+ 0.4071 0.3059 0.001513 0.02137 0.4071 1
+ 0.4115 0.3063 0.001639 0.02158 0.4115 1
+ 0.4158 0.3066 0.00148 0.02179 0.4159 1
+ 0.4202 0.3062 0.001607 0.022 0.4202 1
+ 0.4245 0.3051 0.001567 0.02221 0.4245 1
+ 0.4288 0.3052 0.001319 0.02242 0.4289 1
+ 0.4331 0.309 0.001496 0.02263 0.4331 1
+ 0.4374 0.3066 0.001573 0.02284 0.4374 1
+ 0.4416 0.3035 0.001526 0.02304 0.4417 1
+ 0.4459 0.3055 0.001542 0.02325 0.4459 1
+ 0.4501 0.303 0.001428 0.02346 0.4501 1
+ 0.4543 0.3057 0.001509 0.02366 0.4543 1
+ 0.4585 0.3056 0.001376 0.02387 0.4585 1
+ 0.4627 0.3037 0.001384 0.02407 0.4627 1
+ 0.4668 0.3017 0.001437 0.02427 0.4668 1
+ 0.4709 0.3038 0.001687 0.02447 0.471 1
+ 0.4751 0.308 0.001492 0.02467 0.4751 1
+ 0.4792 0.3043 0.001532 0.02487 0.4792 1
+ 0.4832 0.3024 0.00154 0.02507 0.4833 1
+ 0.4873 0.3053 0.001643 0.02527 0.4873 1
+ 0.4913 0.3028 0.001856 0.02547 0.4914 1
+ 0.4954 0.3013 0.00164 0.02567 0.4954 1
+ 0.4994 0.3064 0.00154 0.02586 0.4994 1
+ 0.5033 0.3057 0.00168 0.02606 0.5034 1
+ 0.5073 0.3047 0.001643 0.02625 0.5073 1
+ 0.5113 0.3032 0.001675 0.02645 0.5113 1
+ 0.5152 0.303 0.001439 0.02664 0.5152 1
+ 0.5191 0.3037 0.001692 0.02683 0.5191 1
+ 0.523 0.3021 0.001634 0.02702 0.523 1
+ 0.5269 0.3022 0.00178 0.02721 0.5269 1
+ 0.5307 0.3029 0.001911 0.0274 0.5307 1
+ 0.5346 0.3011 0.002309 0.02759 0.5346 1
+ 0.5384 0.3024 0.001987 0.02778 0.5384 1
+ 0.5422 0.3044 0.002772 0.02797 0.5422 1
+ 0.546 0.3009 0.0025 0.02815 0.546 1
+ 0.5497 0.3002 0.002315 0.02834 0.5498 1
+ 0.5535 0.3 0.002721 0.02852 0.5535 1
+ 0.5572 0.3038 0.002978 0.02871 0.5572 1
+ 0.5609 0.2928 0.003387 0.02889 0.5609 1
+ 0.5646 0.3084 0.003712 0.02907 0.5646 1
+ 0.5683 0.2998 0.00444 0.02925 0.5683 1
+ 0.5719 0.2987 0.003861 0.02943 0.572 1
+ 0.5756 0.2952 0.00588 0.02961 0.5756 1
+ 0.5792 0.2842 0.007206 0.02979 0.5792 1
+ 0.5828 0.2958 1 0.02997 0.5828 1
diff --git a/test/sasdataloader/test/ring_testdata.txt b/test/sasdataloader/test/ring_testdata.txt
new file mode 100644
index 0000000..481cdef
--- /dev/null
+++ b/test/sasdataloader/test/ring_testdata.txt
@@ -0,0 +1,21 @@
+<X> <Y> <dY>
+0.0 0.974491286452 0.0803843574327
+0.314159265359 0.9046853025 0.0768971192264
+0.628318530718 0.964040908176 0.0790933208542
+0.942477796077 0.922142905769 0.0781616076625
+1.25663706144 1.02710537736 0.080875897538
+1.57079632679 1.01448978075 0.0808313893873
+1.88495559215 1.04677136013 0.0828850195035
+2.19911485751 1.00067189877 0.0790510747578
+2.51327412287 1.06280533013 0.0830643956456
+2.82743338823 1.04313751703 0.0824585190353
+3.14159265359 0.993559460696 0.0803376331443
+3.45575191895 0.998101030127 0.0813124293449
+3.76991118431 1.04589910764 0.0821364674302
+4.08407044967 0.997201556522 0.0797466854806
+4.39822971503 1.07289797405 0.0830165798358
+4.71238898038 1.01212391625 0.0803021745794
+5.02654824574 0.995907123899 0.0804649435453
+5.3407075111 0.991431571613 0.0803765721376
+5.65486677646 0.959020086792 0.0787114622667
+5.96902604182 0.945705788519 0.0767669312314
diff --git a/test/sasdataloader/test/sectorphi_testdata.txt b/test/sasdataloader/test/sectorphi_testdata.txt
new file mode 100644
index 0000000..de96e73
--- /dev/null
+++ b/test/sasdataloader/test/sectorphi_testdata.txt
@@ -0,0 +1,20 @@
+0.0392699081699 1.1493915878 0.168324806231
+0.11780972451 0.782646832432 0.149121962919
+0.196349540849 0.706119607692 0.144012178287
+0.274889357189 0.911901097436 0.15555152836
+0.353429173529 0.974902392683 0.155253089415
+0.431968989869 1.01648397073 0.159026866657
+0.510508806208 1.00543825 0.162897198136
+0.589048622548 0.939649968421 0.160198723543
+0.667588438888 0.9170403625 0.154535441526
+0.746128255228 0.992733432558 0.155251042188
+0.824668071567 0.896487721622 0.158978849014
+0.903207887907 1.0337120475 0.161651279959
+0.981747704247 0.893411561538 0.151685984204
+1.06028752059 0.86231787 0.152618707077
+1.13882733693 1.0607364925 0.164276150316
+1.21736715327 1.0684421475 0.163649496829
+1.29590696961 1.09330437436 0.167871645263
+1.37444678595 0.88759347 0.150974201439
+1.45298660229 1.1352002 0.172191803977
+1.53152641863 0.940182580556 0.16499913089
diff --git a/test/sasdataloader/test/sectorq_testdata.txt b/test/sasdataloader/test/sectorq_testdata.txt
new file mode 100644
index 0000000..4faa4b9
--- /dev/null
+++ b/test/sasdataloader/test/sectorq_testdata.txt
@@ -0,0 +1,20 @@
+0.00511441071783 3.62996057692 0.26421001906
+0.00536794842067 3.08426333333 0.226725360048
+0.00563163488481 2.60796274194 0.205094893141
+0.00588490295032 1.9348162623 0.178096320518
+0.00613345857943 1.7733072 0.16517157513
+0.00638164232075 1.47127022727 0.149304966898
+0.00662784449302 1.20943352174 0.132393436598
+0.00687996935062 1.09260586133 0.121129481208
+0.00713177859748 0.920554827027 0.112093900426
+0.0073754295467 0.722179797333 0.0994122997085
+0.00762120465356 0.806428308642 0.101199828878
+0.00787397172531 0.643935 0.0888805845221
+0.00811861136113 0.545498639506 0.0844090307303
+0.008367621478 0.540828518804 0.0775790478399
+0.00862439560875 0.506315036957 0.0759458433673
+0.00887906032589 0.435769230208 0.0692137718457
+0.00913119845523 0.405669568421 0.0705339106673
+0.00938052380065 0.331241946 0.061307573431
+0.00962825731078 0.237315993939 0.0578654769893
+0.00987552050718 0.296916590385 0.0592796733987
diff --git a/test/sasdataloader/test/sequence_tests.py b/test/sasdataloader/test/sequence_tests.py
new file mode 100644
index 0000000..30343f8
--- /dev/null
+++ b/test/sasdataloader/test/sequence_tests.py
@@ -0,0 +1,31 @@
+from DataLoader.loader import Loader
+from DataLoader.readers.IgorReader import Reader as igor_reader
+from DataLoader.readers.abs_reader import Reader as abs_reader
+
+
+def consecutive_loader():
+ out1 = Loader().load("jan08002.ABS")
+ out2 = Loader().load("MAR07232_rest.ASC")
+ if len(out2.detector)>1:
+ print "Consecutive reads using Loader failed"
+
+def consecutive_reader():
+ out1 = abs_reader().read("jan08002.ABS")
+ out2 = igor_reader().read("MAR07232_rest.ASC")
+ if len(out2.detector)>1:
+ print "Consecutive reads using Readers failed"
+ print out1
+ print out2
+
+def single_abs():
+ out1 = abs_reader().read("jan08002.ABS")
+
+def single_igor():
+ out1 = igor_reader().read("MAR07232_rest.ASC")
+
+if __name__ == "__main__":
+ #consecutive_loader()
+ #consecutive_reader()
+ single_igor()
+ single_abs()
+ print "Test passed"
diff --git a/test/sasdataloader/test/simpleexamplefile.h5 b/test/sasdataloader/test/simpleexamplefile.h5
new file mode 100644
index 0000000..b967dad
Binary files /dev/null and b/test/sasdataloader/test/simpleexamplefile.h5 differ
diff --git a/test/sasdataloader/test/slabx_testdata.txt b/test/sasdataloader/test/slabx_testdata.txt
new file mode 100644
index 0000000..9a443a3
--- /dev/null
+++ b/test/sasdataloader/test/slabx_testdata.txt
@@ -0,0 +1,50 @@
+-0.00975856539676 0.5172445 0.508549161832
+-0.00934923500682 0.237763 0.243804737444
+-0.00893990399468 0.12955415 0.254513408291
+-0.0086670162536 0.9157545 0.676666276683
+-0.00825768406971 0.65937975 0.406011006624
+-0.00784835133627 0.8750275 0.661448221707
+-0.00743901794994 1.02208225 0.519554195922
+-0.00702968406854 1.079005 0.734508338959
+-0.00662034960235 1.2496225 0.558932576435
+-0.00621101469558 2.006035 1.00150761355
+-0.00580167927212 2.4278325 0.779075172881
+-0.00539234346255 3.455125 1.31436771871
+-0.00498300720441 4.0214125 1.00267299006
+-0.00457367061464 4.505215 1.500868915
+-0.0041643336444 9.1015275 1.50843689792
+-0.00375499639702 12.9323 2.54286256019
+-0.00334565883727 24.9572 2.4978590833
+-0.00293632105486 40.0841 4.47683481938
+-0.00266342906662 60.4813 5.49914993431
+-0.00225409091154 76.368475 4.36945291198
+-0.00184475260646 2.40154 1.09579651396
+-0.00143541414791 0.065281 0.198049867458
+-0.00102607559383 -0.04767235 0.154389685536
+-0.000616736954402 -0.0090503 0.0960105462957
+-0.000207398273925 0.03109325 0.246629023029
+0.000201940423805 -0.027508775 0.082928847514
+0.000611279108096 0.03251315 0.246951260373
+0.00102061774154 -0.00987975 0.144233534589
+0.00142995630705 0.075937 0.19485507435
+0.00183929475361 10.60918375 1.62858709853
+0.00224863307777 106.2485 7.2886384188
+0.00265797121486 69.731775 4.17527768538
+0.00306730917507 37.64245 4.33834357791
+0.00334020101548 29.14025 3.81708331059
+0.00374953854926 16.858125 2.05293235398
+0.00415887583351 7.860455 1.98248013861
+0.00456821277179 4.8616775 1.1024606002
+0.00497754940605 4.619795 1.51983469496
+0.00538688562624 3.1591075 0.888693915249
+0.00579622148792 1.72058 0.927518193892
+0.00620555686743 1.913115 0.69157700222
+0.00661489183396 1.08108 0.735214254486
+0.0070242262502 1.0834955 0.520455449582
+0.00743356019898 0.4708995 0.485231645712
+0.00784289352938 0.774794 0.440111917585
+0.00825222633782 0.7830585 0.625722981838
+0.00866155845978 0.44196625 0.37397468163
+0.0090708900053 0.1305591 0.306123259489
+0.0093437773029 0.1961264 0.341325065004
+0.00975310762291 0.25845 0.280772594817
diff --git a/test/sasdataloader/test/slaby_testdata.txt b/test/sasdataloader/test/slaby_testdata.txt
new file mode 100644
index 0000000..fd871ea
--- /dev/null
+++ b/test/sasdataloader/test/slaby_testdata.txt
@@ -0,0 +1,50 @@
+-0.00981587154747 0.197046827778 0.0872226309261
+-0.00940654133769 0.2466434 0.124972263589
+-0.0089972103454 0.218745969444 0.0838510368061
+-0.00858787875434 0.126093522222 0.107482002513
+-0.00817854644886 0.310427366667 0.100945289852
+-0.0077692135991 0.0843802722222 0.103942898914
+-0.00735988010303 0.246036369444 0.0916479235889
+-0.00695054611716 0.217840922222 0.128330031223
+-0.00654121155308 0.379668444444 0.103424340152
+-0.00613187655368 0.447654644444 0.166575873418
+-0.00585898627901 0.419026583333 0.15428551475
+-0.00544965048161 0.401599005556 0.107234964701
+-0.00504031432153 0.552085055556 0.178458012837
+-0.00463097774216 0.623354058333 0.134112874252
+-0.0042216408546 0.653190877778 0.199963470429
+-0.00381230361585 0.661400280556 0.136616295765
+-0.00340296612338 0.714432968889 0.206518400818
+-0.00299362834783 0.653196219444 0.137770239209
+-0.00258429037305 0.823240055556 0.215465509543
+-0.00217495218329 0.9738398 0.165854141631
+-0.00176561384878 0.827869716667 0.217884056409
+-0.00135627536739 1.01947547778 0.169285496487
+-0.000946936795747 1.1655315 0.256453669437
+-0.000537598145326 1.06619988306 0.174316381271
+-0.000128259459128 1.03232983333 0.243681074459
+0.000144633007054 1.15035461111 0.254186641595
+0.000553971692162 1.14101948333 0.179426295522
+0.000963310340403 1.07222452222 0.244970006982
+0.00137264890851 1.16437213056 0.185866492018
+0.00178198738526 0.852203596111 0.219166988663
+0.00219132571378 0.901962183333 0.160186399428
+0.00260066389646 0.9240665 0.230158379447
+0.00301000186279 0.617907672222 0.137762238147
+0.00341933962881 0.650284455556 0.191734208711
+0.00382867711038 0.578899836111 0.127147693175
+0.00423801433715 0.507045738889 0.172630602733
+0.00464735121136 0.613949591667 0.131836392307
+0.00505668777629 0.593631783333 0.181602707905
+0.00532957859826 0.310741433333 0.143429472495
+0.00573891447198 0.422394166667 0.111503089837
+0.00614824996377 0.342731566667 0.148392724273
+0.0065575849441 0.286779447222 0.0946855610872
+0.00696691948801 0.223022966667 0.134800066857
+0.00737625345237 0.220648719444 0.0901314425104
+0.00778558692582 0.210920222222 0.13171959555
+0.00819491975161 0.206120872222 0.0877029867729
+0.00860425203202 0.26088625 0.127667879068
+0.00901358359666 0.156064891667 0.0817093355086
+0.00942291456144 0.177010094444 0.134301097823
+0.00983224474235 0.130891508333 0.0796420846741
\ No newline at end of file
diff --git a/test/sasdataloader/test/testLoad.py b/test/sasdataloader/test/testLoad.py
new file mode 100644
index 0000000..dfa71a9
--- /dev/null
+++ b/test/sasdataloader/test/testLoad.py
@@ -0,0 +1,171 @@
+"""
+ Unit tests for DataLoader module
+ log file "test_log.txt" contains all errors when running loader
+ It is create in the folder where test is runned
+"""
+import logging
+logging.basicConfig(level=logging.DEBUG,
+ format='%(asctime)s %(levelname)s %(message)s',
+ filename='test_log.txt',
+ filemode='w')
+
+
+
+import unittest
+import math
+import sas.sascalc.dataloader
+from sas.sascalc.dataloader.loader import Loader
+
+# Check whether we should test image loading on this system
+HAS_IMAGE = False
+try:
+ import Image
+ HAS_IMAGE = True
+except:
+ print "IMAGE TESTS WILL NOT BE PERFORMED: MISSING PIL MODULE"
+
+import os.path
+
+class designtest(unittest.TestCase):
+
+ def setUp(self):
+ self.loader = Loader()
+
+ def test_singleton(self):
+ """
+ Testing whether Loader is truly a singleton
+ """
+ # Create a 'new' Loader
+ b = Loader()
+ self.assertEqual(self.loader._get_registry_creation_time(),
+ b._get_registry_creation_time())
+
+class testLoader(unittest.TestCase):
+ logging.debug("Inside testLoad module")
+
+ """ test fitting """
+ def setUp(self):
+ """
+ Set up the initial conditions before _each_ test
+ so that they all start from the same well-defined state.
+ """
+ #Creating a loader
+ self.L=Loader()
+
+
+ def testLoad0(self):
+ """test reading empty file"""
+ self.assertRaises(RuntimeError, self.L.load, 'empty.txt')
+
+ def testLoad1(self):
+ """test reading 2 columns"""
+
+ #Testing loading a txt file of 2 columns, the only reader should be read1
+ output=self.L.load('test_2_columns.txt')
+ x=[2.83954,0.204082,0.408163,0.612245,0.816327,1.02041,1.22449,1.42857,1.63265]
+ y=[0.6,3.44938, 5.82026,5.27591,5.2781,5.22531,7.47487,7.85852,10.2278]
+ dx=[]
+ dy=[]
+ self.assertEqual(len(output.x),len(x))
+ self.assertEqual(len(output.y),len(y))
+
+ for i in range(len(x)):
+ self.assertEqual(output.x[i],x[i])
+ self.assertEqual(output.y[i],y[i])
+
+
+ def testLoad2(self):
+ """Testing loading a txt file of 3 columns"""
+ output= self.L.load('test_3_columns.txt')
+ x=[0,0.204082,0.408163,0.612245,0.816327,1.02041,1.22449]
+ y=[2.83954,3.44938,5.82026,5.27591,5.2781,5.22531,7.47487]
+ dx=[]
+ dy=[0.6,0.676531,0.753061,0.829592,0.906122,0.982653,1.05918]
+ self.assertEqual(len(output.x),len(x))
+ self.assertEqual(len(output.y),len(y))
+ self.assertEqual(len(output.dy),len(dy))
+ for i in range(len(x)):
+ self.assertEqual(output.x[i],x[i])
+ self.assertEqual(output.y[i],y[i])
+ self.assertEqual(output.dy[i],dy[i])
+
+ def testLoad2_uppercase(self):
+ """Testing loading a txt file of 3 columns"""
+ output= self.L.load('test_3_columns.TXT')
+ x=[0,0.204082,0.408163,0.612245,0.816327,1.02041,1.22449]
+ y=[2.83954,3.44938,5.82026,5.27591,5.2781,5.22531,7.47487]
+ dx=[]
+ dy=[0.6,0.676531,0.753061,0.829592,0.906122,0.982653,1.05918]
+ self.assertEqual(len(output.x),len(x))
+ self.assertEqual(len(output.y),len(y))
+ self.assertEqual(len(output.dy),len(dy))
+ for i in range(len(x)):
+ self.assertEqual(output.x[i],x[i])
+ self.assertEqual(output.y[i],y[i])
+ self.assertEqual(output.dy[i],dy[i])
+
+
+ def testload3(self):
+ """ Testing loading Igor data"""
+ #tested good file.asc
+ output= self.L.load('MAR07232_rest.ASC')
+ self.assertEqual(output.xmin,-0.018558945804750416)
+ self.assertEqual(output.xmax, 0.016234058202440633,)
+ self.assertEqual(output.ymin,-0.01684257151702391)
+ self.assertEqual(output.ymax,0.017950440578015116)
+
+ #tested corrupted file.asc
+ try:self.L.load('AR07232_rest.ASC')
+ except ValueError,msg:
+ #logging.log(10,str(msg))
+ logging.error(str(msg))
+
+ def testload3_lowercase(self):
+ """ Testing loading Igor data"""
+ #tested good file.asc
+ output= self.L.load('MAR07232_rest.asc')
+ self.assertEqual(output.xmin,-0.018558945804750416)
+ self.assertEqual(output.xmax, 0.016234058202440633,)
+ self.assertEqual(output.ymin,-0.01684257151702391)
+ self.assertEqual(output.ymax,0.017950440578015116)
+
+ #tested corrupted file.asc
+ try:self.L.load('AR07232_rest.ASC')
+ except ValueError,msg:
+ #logging.log(10,str(msg))
+ logging.error(str(msg))
+ def testload4(self):
+ """ Testing loading danse file"""
+ #tested good file.sans
+ output=self.L.load('MP_New.sans')
+
+ self.assertEqual(output.source.wavelength,7.5)
+
+ #tested corrupted file.sans
+ try: self.L.load('P_New.sans')
+ except ValueError,msg:
+ #logging.log(40,str(msg))
+ logging.error(str(msg))
+ #else: raise ValueError,"No error raised for missing extension"
+
+ def testload5(self):
+ """ Testing loading image file"""
+ if HAS_IMAGE:
+ output=self.L.load('angles_flat.png')
+ self.assertEqual(output.xbins ,200)
+
+ def testload6(self):
+ """test file with unknown extension"""
+ self.assertRaises(RuntimeError, self.L.load, 'hello.missing')
+
+ # Lookup is not supported as a public method
+ #self.assertRaises(ValueError, self.L.lookup, 'hello.missing')
+
+
+ def testload7(self):
+ """ test file containing an image but as extension .txt"""
+ self.assertRaises(RuntimeError, self.L.load, 'angles_flat.txt')
+
+if __name__ == '__main__':
+ unittest.main()
+
\ No newline at end of file
diff --git a/test/sasdataloader/test/test_2_columns.date b/test/sasdataloader/test/test_2_columns.date
new file mode 100644
index 0000000..7bf48fe
--- /dev/null
+++ b/test/sasdataloader/test/test_2_columns.date
@@ -0,0 +1,14 @@
+#y=A*x+B
+#A=2.5
+#B=4
+2.83954 0.6
+0.204082 3.44938
+0.408163 5.82026
+0.612245 5.27591
+0.816327 5.2781
+1.02041 5.22531
+1.22449 7.47487
+1.42857 7.85852
+1.63265 10.2278
+
+
diff --git a/test/sasdataloader/test/test_2_columns.txt b/test/sasdataloader/test/test_2_columns.txt
new file mode 100644
index 0000000..7bf48fe
--- /dev/null
+++ b/test/sasdataloader/test/test_2_columns.txt
@@ -0,0 +1,14 @@
+#y=A*x+B
+#A=2.5
+#B=4
+2.83954 0.6
+0.204082 3.44938
+0.408163 5.82026
+0.612245 5.27591
+0.816327 5.2781
+1.02041 5.22531
+1.22449 7.47487
+1.42857 7.85852
+1.63265 10.2278
+
+
diff --git a/test/sasdataloader/test/test_3_columns.txt b/test/sasdataloader/test/test_3_columns.txt
new file mode 100644
index 0000000..a2c0a8a
--- /dev/null
+++ b/test/sasdataloader/test/test_3_columns.txt
@@ -0,0 +1,10 @@
+#y=A*x+B
+#A=2.5
+#B=4
+0.000000 2.83954 0.6
+0.204082 3.44938 0.676531
+0.408163 5.82026 0.753061
+0.612245 5.27591 0.829592
+0.816327 5.2781 0.906122
+1.02041 5.22531 0.982653
+1.22449 7.47487 1.05918
diff --git a/test/sasdataloader/test/test_data.test b/test/sasdataloader/test/test_data.test
new file mode 100644
index 0000000..7a9a8f2
--- /dev/null
+++ b/test/sasdataloader/test/test_data.test
@@ -0,0 +1 @@
+1234.0
\ No newline at end of file
diff --git a/test/sasdataloader/test/testplugings.py b/test/sasdataloader/test/testplugings.py
new file mode 100644
index 0000000..1008422
--- /dev/null
+++ b/test/sasdataloader/test/testplugings.py
@@ -0,0 +1,67 @@
+"""
+ Unit tests for DataLoader module
+"""
+
+import unittest
+from sas.sascalc.dataloader.loader import Loader, Registry
+class testLoader(unittest.TestCase):
+
+ def setUp(self):
+ self.L=Loader()
+ self.L.find_plugins('../plugins')
+
+ def testplugin(self):
+ """
+ test loading with a test reader only
+ found in the plugins directory
+ """
+ output = self.L.load('test_data.test')
+ self.assertEqual(output.x[0], 1234.)
+
+class testRegistry(unittest.TestCase):
+
+ def setUp(self):
+ self.L=Registry()
+ self.L.find_plugins('../plugins')
+
+ def testplugin(self):
+ """
+ test loading with a test reader only
+ found in the plugins directory
+ """
+ output = self.L.load('test_data.test')
+ self.assertEqual(output.x[0], 1234.)
+ self.assertTrue(self.L.loaders.has_key('.test'))
+
+class testZip(unittest.TestCase):
+
+ def setUp(self):
+ self.L=Registry()
+
+ # Create module
+ import zipfile
+ z = zipfile.PyZipFile("plugins.zip", 'w')
+ z.writepy("../plugins", "")
+ z.close()
+
+ def testplugin_checksetup(self):
+ """
+ Check that the test is valid by confirming
+ that the file can't be loaded without the
+ plugins
+ """
+ self.assertRaises(ValueError, self.L.load, 'test_data.test')
+
+ def testplugin(self):
+ """
+ test loading with a test reader only
+ found in the plugins directory
+ """
+ self.L.find_plugins('.')
+ output = self.L.load('test_data.test')
+ self.assertEqual(output.x[0], 1234.)
+ self.assertTrue(self.L.loaders.has_key('.test'))
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/sasdataloader/test/utest_abs_reader.py b/test/sasdataloader/test/utest_abs_reader.py
new file mode 100644
index 0000000..c099cfd
--- /dev/null
+++ b/test/sasdataloader/test/utest_abs_reader.py
@@ -0,0 +1,387 @@
+"""
+ Unit tests for data manipulations
+"""
+
+import unittest
+import numpy, math
+from sas.sascalc.dataloader.loader import Loader
+from sas.sascalc.dataloader.data_info import Data1D
+
+import os.path
+
+class abs_reader(unittest.TestCase):
+
+ def setUp(self):
+ from sas.sascalc.dataloader.readers.abs_reader import Reader
+ self.data = Reader().read("jan08002.ABS")
+
+ def test_abs_checkdata(self):
+ """
+ Check the data content to see whether
+ it matches the specific file we loaded.
+ Check the units too to see whether the
+ Data1D defaults changed. Otherwise the
+ tests won't pass
+ """
+ self.assertEqual(self.data.filename, "jan08002.ABS")
+ self.assertEqual(self.data.meta_data['loader'], "IGOR 1D")
+
+ self.assertEqual(self.data.source.wavelength_unit, 'A')
+ self.assertEqual(self.data.source.wavelength, 6.0)
+
+ self.assertEqual(self.data.detector[0].distance_unit, 'mm')
+ self.assertEqual(self.data.detector[0].distance, 1000.0)
+
+ self.assertEqual(self.data.sample.transmission, 0.5667)
+
+ self.assertEqual(self.data.detector[0].beam_center_unit, 'mm')
+ center_x = 114.58*5.0
+ center_y = 64.22*5.0
+ self.assertEqual(self.data.detector[0].beam_center.x, center_x)
+ self.assertEqual(self.data.detector[0].beam_center.y, center_y)
+
+ self.assertEqual(self.data.y_unit, '1/cm')
+ self.assertEqual(self.data.x[0], 0.002618)
+ self.assertEqual(self.data.x[1], 0.007854)
+ self.assertEqual(self.data.x[2], 0.01309)
+ self.assertEqual(self.data.x[126], 0.5828)
+
+ self.assertEqual(self.data.y[0], 0.02198)
+ self.assertEqual(self.data.y[1], 0.02201)
+ self.assertEqual(self.data.y[2], 0.02695)
+ self.assertEqual(self.data.y[126], 0.2958)
+
+ self.assertEqual(self.data.dy[0], 0.002704)
+ self.assertEqual(self.data.dy[1], 0.001643)
+ self.assertEqual(self.data.dy[2], 0.002452)
+ self.assertEqual(self.data.dy[126], 1)
+
+ def test_checkdata2(self):
+ self.assertEqual(self.data.dy[126], 1)
+
+class hfir_reader(unittest.TestCase):
+
+ def setUp(self):
+ self.data = Loader().load("S2-30dq.d1d")
+
+ def test_hfir_checkdata(self):
+ """
+ Check the data content to see whether
+ it matches the specific file we loaded.
+ """
+ self.assertEqual(self.data.filename, "S2-30dq.d1d")
+ # THIS FILE FORMAT IS CURRENTLY READ BY THE ASCII READER
+ self.assertEqual(self.data.meta_data['loader'], "HFIR 1D")
+ self.assertEqual(len(self.data.x), 134)
+ self.assertEqual(len(self.data.y), 134)
+ # Q I dI dQ
+ # Point 1: 0.003014 0.003010 0.000315 0.008249
+ self.assertEqual(self.data.x[1], 0.003014)
+ self.assertEqual(self.data.y[1], 0.003010)
+ self.assertEqual(self.data.dy[1], 0.000315)
+ self.assertEqual(self.data.dx[1], 0.008249)
+
+
+class igor_reader(unittest.TestCase):
+
+ def setUp(self):
+ self.data = Loader().load("MAR07232_rest.ASC")
+
+ def test_igor_checkdata(self):
+ """
+ Check the data content to see whether
+ it matches the specific file we loaded.
+ Check the units too to see whether the
+ Data1D defaults changed. Otherwise the
+ tests won't pass
+ """
+ self.assertEqual(self.data.filename, "MAR07232_rest.ASC")
+ self.assertEqual(self.data.meta_data['loader'], "IGOR 2D")
+
+ self.assertEqual(self.data.source.wavelength_unit, 'A')
+ self.assertEqual(self.data.source.wavelength, 8.4)
+
+ self.assertEqual(self.data.detector[0].distance_unit, 'mm')
+ self.assertEqual(self.data.detector[0].distance, 13705)
+
+ self.assertEqual(self.data.sample.transmission, 0.84357)
+
+ self.assertEqual(self.data.detector[0].beam_center_unit, 'mm')
+ center_x = (68.76-1)*5.0
+ center_y = (62.47-1)*5.0
+ self.assertEqual(self.data.detector[0].beam_center.x, center_x)
+ self.assertEqual(self.data.detector[0].beam_center.y, center_y)
+
+ self.assertEqual(self.data.I_unit, '1/cm')
+ self.assertEqual(self.data.data[0], 0.279783)
+ self.assertEqual(self.data.data[1], 0.28951)
+ self.assertEqual(self.data.data[2], 0.167634)
+
+class danse_reader(unittest.TestCase):
+
+ def setUp(self):
+ self.data = Loader().load("MP_New.sans")
+
+ def test_checkdata(self):
+ """
+ Check the data content to see whether
+ it matches the specific file we loaded.
+ Check the units too to see whether the
+ Data1D defaults changed. Otherwise the
+ tests won't pass
+ """
+ self.assertEqual(self.data.filename, "MP_New.sans")
+ self.assertEqual(self.data.meta_data['loader'], "DANSE")
+
+ self.assertEqual(self.data.source.wavelength_unit, 'A')
+ self.assertEqual(self.data.source.wavelength, 7.5)
+
+ self.assertEqual(self.data.detector[0].distance_unit, 'mm')
+ self.assertAlmostEqual(self.data.detector[0].distance, 5414.99, 3)
+
+ self.assertEqual(self.data.detector[0].beam_center_unit, 'mm')
+ center_x = 68.74*5.0
+ center_y = 64.77*5.0
+ self.assertEqual(self.data.detector[0].beam_center.x, center_x)
+ self.assertEqual(self.data.detector[0].beam_center.y, center_y)
+
+ self.assertEqual(self.data.I_unit, '1/cm')
+ self.assertEqual(self.data.data[0], 1.57831)
+ self.assertEqual(self.data.data[1], 2.70983)
+ self.assertEqual(self.data.data[2], 3.83422)
+
+ self.assertEqual(self.data.err_data[0], 1.37607)
+ self.assertEqual(self.data.err_data[1], 1.77569)
+ self.assertEqual(self.data.err_data[2], 2.06313)
+
+
+class cansas_reader(unittest.TestCase):
+
+ def setUp(self):
+ data = Loader().load("cansas1d.xml")
+ self.data = data[0]
+
+ def test_cansas_checkdata(self):
+ self.assertEqual(self.data.filename, "cansas1d.xml")
+ self._checkdata()
+
+ def _checkdata(self):
+ """
+ Check the data content to see whether
+ it matches the specific file we loaded.
+ Check the units too to see whether the
+ Data1D defaults changed. Otherwise the
+ tests won't pass
+ """
+
+ self.assertEqual(self.data.run[0], "1234")
+ self.assertEqual(self.data.meta_data['loader'], "CanSAS XML 1D")
+
+ # Data
+ self.assertEqual(len(self.data.x), 2)
+ self.assertEqual(self.data.x_unit, '1/A')
+ self.assertEqual(self.data.y_unit, '1/cm')
+ self.assertAlmostEqual(self.data.x[0], 0.02, 6)
+ self.assertAlmostEqual(self.data.y[0], 1000, 6)
+ self.assertAlmostEqual(self.data.dx[0], 0.01, 6)
+ self.assertAlmostEqual(self.data.dy[0], 3, 6)
+ self.assertAlmostEqual(self.data.x[1], 0.03, 6)
+ self.assertAlmostEqual(self.data.y[1], 1001.0)
+ self.assertAlmostEqual(self.data.dx[1], 0.02, 6)
+ self.assertAlmostEqual(self.data.dy[1], 4, 6)
+ self.assertEqual(self.data.run_name['1234'], 'run name')
+ self.assertEqual(self.data.title, "Test title")
+
+ # Sample info
+ self.assertEqual(self.data.sample.ID, "SI600-new-long")
+ self.assertEqual(self.data.sample.name, "my sample")
+ self.assertEqual(self.data.sample.thickness_unit, 'mm')
+ self.assertAlmostEqual(self.data.sample.thickness, 1.03)
+
+ self.assertAlmostEqual(self.data.sample.transmission, 0.327)
+
+ self.assertEqual(self.data.sample.temperature_unit, 'C')
+ self.assertEqual(self.data.sample.temperature, 0)
+
+ self.assertEqual(self.data.sample.position_unit, 'mm')
+ self.assertEqual(self.data.sample.position.x, 10)
+ self.assertEqual(self.data.sample.position.y, 0)
+
+ self.assertEqual(self.data.sample.orientation_unit, 'degree')
+ self.assertAlmostEqual(self.data.sample.orientation.x, 22.5, 6)
+ self.assertAlmostEqual(self.data.sample.orientation.y, 0.02, 6)
+
+ self.assertEqual(self.data.sample.details[0], "http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720")
+ self.assertEqual(self.data.sample.details[1], "Some text here")
+
+ # Instrument info
+ self.assertEqual(self.data.instrument, "canSAS instrument")
+
+ # Source
+ self.assertEqual(self.data.source.radiation, "neutron")
+
+ self.assertEqual(self.data.source.beam_size_unit, "mm")
+ self.assertEqual(self.data.source.beam_size_name, "bm")
+ self.assertEqual(self.data.source.beam_size.x, 12)
+ self.assertEqual(self.data.source.beam_size.y, 13)
+
+ self.assertEqual(self.data.source.beam_shape, "disc")
+
+ self.assertEqual(self.data.source.wavelength_unit, "A")
+ self.assertEqual(self.data.source.wavelength, 6)
+
+ self.assertEqual(self.data.source.wavelength_max_unit, "nm")
+ self.assertAlmostEqual(self.data.source.wavelength_max, 1.0)
+ self.assertEqual(self.data.source.wavelength_min_unit, "nm")
+ self.assertAlmostEqual(self.data.source.wavelength_min, 0.22)
+ self.assertEqual(self.data.source.wavelength_spread_unit, "percent")
+ self.assertEqual(self.data.source.wavelength_spread, 14.3)
+
+ # Collimation
+ _found1 = False
+ _found2 = False
+ self.assertEqual(self.data.collimation[0].length, 123.)
+ self.assertEqual(self.data.collimation[0].name, 'test coll name')
+
+ for item in self.data.collimation[0].aperture:
+ self.assertEqual(item.size_unit,'mm')
+ self.assertEqual(item.distance_unit,'mm')
+
+ if item.size.x==50 \
+ and item.distance==11000.0 \
+ and item.name=='source' \
+ and item.type=='radius':
+ _found1 = True
+ elif item.size.x==1.0 \
+ and item.name=='sample' \
+ and item.type=='radius':
+ _found2 = True
+
+ if _found1==False or _found2==False:
+ raise RuntimeError, "Could not find all data %s %s" % (_found1, _found2)
+
+ # Detector
+ self.assertEqual(self.data.detector[0].name, "fictional hybrid")
+ self.assertEqual(self.data.detector[0].distance_unit, "mm")
+ self.assertEqual(self.data.detector[0].distance, 4150)
+
+ self.assertEqual(self.data.detector[0].orientation_unit, "degree")
+ self.assertAlmostEqual(self.data.detector[0].orientation.x, 1.0, 6)
+ self.assertEqual(self.data.detector[0].orientation.y, 0.0)
+ self.assertEqual(self.data.detector[0].orientation.z, 0.0)
+
+ self.assertEqual(self.data.detector[0].offset_unit, "m")
+ self.assertEqual(self.data.detector[0].offset.x, .001)
+ self.assertEqual(self.data.detector[0].offset.y, .002)
+ self.assertEqual(self.data.detector[0].offset.z, None)
+
+ self.assertEqual(self.data.detector[0].beam_center_unit, "mm")
+ self.assertEqual(self.data.detector[0].beam_center.x, 322.64)
+ self.assertEqual(self.data.detector[0].beam_center.y, 327.68)
+ self.assertEqual(self.data.detector[0].beam_center.z, None)
+
+ self.assertEqual(self.data.detector[0].pixel_size_unit, "mm")
+ self.assertEqual(self.data.detector[0].pixel_size.x, 5)
+ self.assertEqual(self.data.detector[0].pixel_size.y, 5)
+ self.assertEqual(self.data.detector[0].pixel_size.z, None)
+
+ # Process
+ _found_term1 = False
+ _found_term2 = False
+ for item in self.data.process:
+ self.assertTrue(item.name in ['NCNR-IGOR', 'spol'])
+ self.assertTrue(item.date in ['04-Sep-2007 18:35:02',
+ '03-SEP-2006 11:42:47'])
+ print item.term
+ for t in item.term:
+ if t['name']=="ABS:DSTAND" \
+ and t['unit']=='mm' \
+ and float(t['value'])==1.0:
+ _found_term2 = True
+ elif t['name']=="radialstep" \
+ and t['unit']=='mm' \
+ and float(t['value'])==10.0:
+ _found_term1 = True
+
+ if _found_term1==False or _found_term2==False:
+ raise RuntimeError, "Could not find all process terms %s %s" % (_found_term1, _found_term2)
+
+
+
+
+ def test_writer(self):
+ from sas.sascalc.dataloader.readers.cansas_reader import Reader
+ r = Reader()
+ x = numpy.ones(5)
+ y = numpy.ones(5)
+ dy = numpy.ones(5)
+
+ filename = "write_test.xml"
+ r.write(filename, self.data)
+ data = Loader().load(filename)
+ self.data = data[0]
+ self.assertEqual(self.data.filename, filename)
+ self._checkdata()
+
+ def test_units(self):
+ """
+ Check units.
+ Note that not all units are available.
+ """
+ filename = "cansas1d_units.xml"
+ data = Loader().load(filename)
+ self.data = data[0]
+ self.assertEqual(self.data.filename, filename)
+ self._checkdata()
+
+ def test_badunits(self):
+ """
+ Check units.
+ Note that not all units are available.
+ """
+ filename = "cansas1d_badunits.xml"
+ data = Loader().load(filename)
+ self.data = data[0]
+ self.assertEqual(self.data.filename, filename)
+ # The followed should not have been loaded
+ self.assertAlmostEqual(self.data.sample.thickness, 0.00103)
+ # This one should
+ self.assertAlmostEqual(self.data.sample.transmission, 0.327)
+
+ self.assertEqual(self.data.meta_data['loader'], "CanSAS XML 1D")
+ print self.data.errors
+ self.assertEqual(len(self.data.errors), 1)
+
+
+ def test_slits(self):
+ """
+ Check slit data
+ """
+ filename = "cansas1d_slit.xml"
+ data = Loader().load(filename)
+ self.data = data[0]
+ self.assertEqual(self.data.filename, filename)
+ self.assertEqual(self.data.run[0], "1234")
+
+ # Data
+ self.assertEqual(len(self.data.x), 2)
+ self.assertEqual(self.data.x_unit, '1/A')
+ self.assertEqual(self.data.y_unit, '1/cm')
+ self.assertEqual(self.data.x[0], 0.02)
+ self.assertEqual(self.data.y[0], 1000)
+ self.assertEqual(self.data.dxl[0], 0.005)
+ self.assertEqual(self.data.dxw[0], 0.001)
+ self.assertEqual(self.data.dy[0], 3)
+ self.assertEqual(self.data.x[1], 0.03)
+ self.assertAlmostEquals(self.data.y[1], 1001.0)
+ self.assertEqual(self.data.dx, None)
+ self.assertEqual(self.data.dxl[1], 0.005)
+ self.assertEqual(self.data.dxw[1], 0.001)
+ self.assertEqual(self.data.dy[1], 4)
+ self.assertEqual(self.data.run_name['1234'], 'run name')
+ self.assertEqual(self.data.title, "Test title")
+
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/sasdataloader/test/utest_ascii.py b/test/sasdataloader/test/utest_ascii.py
new file mode 100644
index 0000000..f61c02f
--- /dev/null
+++ b/test/sasdataloader/test/utest_ascii.py
@@ -0,0 +1,103 @@
+"""
+ Unit tests for the ascii (n-column) reader
+"""
+import warnings
+warnings.simplefilter("ignore")
+
+import unittest
+from sas.sascalc.dataloader.loader import Loader
+
+import os.path
+
+class abs_reader(unittest.TestCase):
+
+ def setUp(self):
+ self.loader = Loader()
+
+ def test_checkdata(self):
+ """
+ Test .ABS file loaded as ascii
+ """
+ f = self.loader.load("ascii_test_1.txt")
+ # The length of the data is 10
+ self.assertEqual(len(f.x), 10)
+ self.assertEqual(f.x[0],0.002618)
+ self.assertEqual(f.x[9],0.0497)
+ self.assertEqual(f.x_unit, '1/A')
+ self.assertEqual(f.y_unit, '1/cm')
+
+ self.assertEqual(f.meta_data['loader'],"ASCII")
+
+ def test_truncated_1(self):
+ """
+ Test an ascii file with header and a
+ comment line in the middle of the data section.
+ The business rule says that we should stop
+ reading at the first comment once the data
+ section has started (and treat the comment
+ as though it were the start of a footer).
+ """
+ # Test .ABS file loaded as ascii
+ f = self.loader.load("ascii_test_2.txt")
+ # The length of the data is 10
+ self.assertEqual(len(f.x), 5)
+ self.assertEqual(f.x[0],0.002618)
+ self.assertEqual(f.x[4],0.02356)
+
+ def test_truncated_2(self):
+ """
+ Test a 6-col ascii file with header and a
+ line with only 2 columns in the middle of the data section.
+ The business rule says that we should stop
+ reading at the first inconsitent line.
+ """
+ # Test .ABS file loaded as ascii
+ f = self.loader.load("ascii_test_3.txt")
+ # The length of the data is 5
+ self.assertEqual(len(f.x), 5)
+ self.assertEqual(f.x[0],0.002618)
+ self.assertEqual(f.x[4],0.02356)
+
+ def test_truncated_3(self):
+ """
+ Test a 6-col ascii file with complex header and
+ many lines with 2 or 2 columns in the middle of the data section.
+ The business rule says that we should stop
+ reading at the last line of header.
+ """
+ # Test .ABS file loaded as ascii
+ f = self.loader.load("ascii_test_4.abs")
+ # The length of the data is 5
+ self.assertEqual(len(f.x), 5)
+ self.assertEqual(f.x[0],0.012654)
+ self.assertEqual(f.x[4],0.02654)
+
+ def test_truncated_4(self):
+ """
+ Test mix of 6-col and 2-col.
+ Only the last 5 2-col lines should be read.
+ """
+ # Test .ABS file loaded as ascii
+ f = self.loader.load("ascii_test_5.txt")
+ # The length of the data is 5
+ self.assertEqual(len(f.x), 5)
+ self.assertEqual(f.x[0],0.02879)
+ self.assertEqual(f.x[4],0.0497)
+
+ def test_truncated_5(self):
+ """
+ Test a 6-col ascii file with complex header where one of them has a letter and
+ many lines with 2 or 2 columns in the middle of the data section.
+ Only last four lines should be read.
+ """
+ # Test .ABS file loaded as ascii
+ f = None
+ try:
+ f = self.loader.load("ascii_test_6.txt")
+ # The length of the data is 5
+ except:
+ self.assertEqual(f, None)
+
+if __name__ == '__main__':
+ unittest.main()
+
diff --git a/test/sasdataloader/test/utest_averaging.py b/test/sasdataloader/test/utest_averaging.py
new file mode 100644
index 0000000..76cf495
--- /dev/null
+++ b/test/sasdataloader/test/utest_averaging.py
@@ -0,0 +1,253 @@
+
+import unittest
+
+from sas.sascalc.dataloader.loader import Loader
+from sas.sascalc.dataloader.manipulations import Ring, CircularAverage, SectorPhi, get_q,reader2D_converter
+
+import os.path
+import numpy, math
+import sas.sascalc.dataloader.data_info as data_info
+
+class Averaging(unittest.TestCase):
+ """
+ Test averaging manipulations on a flat distribution
+ """
+ def setUp(self):
+ """
+ Create a flat 2D distribution. All averaging results
+ should return the predefined height of the distribution (1.0).
+ """
+ x_0 = numpy.ones([100,100])
+ dx_0 = numpy.ones([100,100])
+
+ self.data = data_info.Data2D(data=x_0, err_data=dx_0)
+ detector = data_info.Detector()
+ detector.distance = 1000.0 #mm
+ detector.pixel_size.x = 1.0 #mm
+ detector.pixel_size.y = 1.0 #mm
+
+ # center in pixel position = (len(x_0)-1)/2
+ detector.beam_center.x = (len(x_0)-1)/2 #pixel number
+ detector.beam_center.y = (len(x_0)-1)/2 #pixel number
+ self.data.detector.append(detector)
+
+ source = data_info.Source()
+ source.wavelength = 10.0 #A
+ self.data.source = source
+
+ # get_q(dx, dy, det_dist, wavelength) where units are mm,mm,mm,and A respectively.
+ self.qmin = get_q(1.0, 1.0, detector.distance, source.wavelength)
+
+ self.qmax = get_q(49.5, 49.5, detector.distance, source.wavelength)
+
+ self.qstep = len(x_0)
+ x= numpy.linspace(start= -1*self.qmax,
+ stop= self.qmax,
+ num= self.qstep,
+ endpoint=True )
+ y = numpy.linspace(start= -1*self.qmax,
+ stop= self.qmax,
+ num= self.qstep,
+ endpoint=True )
+ self.data.x_bins=x
+ self.data.y_bins=y
+ self.data = reader2D_converter(self.data)
+
+ def test_ring_flat_distribution(self):
+ """
+ Test ring averaging
+ """
+ r = Ring(r_min=2*self.qmin, r_max=5*self.qmin,
+ center_x=self.data.detector[0].beam_center.x,
+ center_y=self.data.detector[0].beam_center.y)
+ r.nbins_phi = 20
+
+ o = r(self.data)
+ for i in range(20):
+ self.assertEqual(o.y[i], 1.0)
+
+ def test_sectorphi_full(self):
+ """
+ Test sector averaging
+ """
+ r = SectorPhi(r_min=self.qmin, r_max=3*self.qmin,
+ phi_min=0, phi_max=math.pi*2.0)
+ r.nbins_phi = 20
+ o = r(self.data)
+ for i in range(7):
+ self.assertEqual(o.y[i], 1.0)
+
+
+ def test_sectorphi_partial(self):
+ """
+ """
+ phi_max = math.pi * 1.5
+ r = SectorPhi(r_min=self.qmin, r_max=3*self.qmin,
+ phi_min=0, phi_max=phi_max)
+ self.assertEqual(r.phi_max, phi_max)
+ r.nbins_phi = 20
+ o = r(self.data)
+ self.assertEqual(r.phi_max, phi_max)
+ for i in range(17):
+ self.assertEqual(o.y[i], 1.0)
+
+
+
+class data_info_tests(unittest.TestCase):
+
+ def setUp(self):
+ self.data = Loader().load('MAR07232_rest.ASC')
+
+ def test_ring(self):
+ """
+ Test ring averaging
+ """
+ r = Ring(r_min=.005, r_max=.01,
+ center_x=self.data.detector[0].beam_center.x,
+ center_y=self.data.detector[0].beam_center.y,
+ nbins = 20)
+ ##r.nbins_phi = 20
+
+ o = r(self.data)
+ answer = Loader().load('ring_testdata.txt')
+
+ for i in range(r.nbins_phi - 1):
+ self.assertAlmostEqual(o.x[i + 1], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i + 1], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i + 1], answer.dy[i], 4)
+
+ def test_circularavg(self):
+ """
+ Test circular averaging
+ The test data was not generated by IGOR.
+ """
+ r = CircularAverage(r_min=.00, r_max=.025,
+ bin_width=0.0003)
+ r.nbins_phi = 20
+
+ o = r(self.data)
+
+ answer = Loader().load('avg_testdata.txt')
+ for i in range(r.nbins_phi):
+ self.assertAlmostEqual(o.x[i], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i], answer.dy[i], 4)
+
+ def test_box(self):
+ """
+ Test circular averaging
+ The test data was not generated by IGOR.
+ """
+ from sas.sascalc.dataloader.manipulations import Boxsum, Boxavg
+
+ r = Boxsum(x_min=.01, x_max=.015, y_min=0.01, y_max=0.015)
+ s, ds, npoints = r(self.data)
+ self.assertAlmostEqual(s, 34.278990899999997, 4)
+ self.assertAlmostEqual(ds, 7.8007981835194293, 4)
+ self.assertAlmostEqual(npoints, 324.0000, 4)
+
+ r = Boxavg(x_min=.01, x_max=.015, y_min=0.01, y_max=0.015)
+ s, ds = r(self.data)
+ self.assertAlmostEqual(s, 0.10579935462962962, 4)
+ self.assertAlmostEqual(ds, 0.024076537603455028, 4)
+
+ def test_slabX(self):
+ """
+ Test slab in X
+ The test data was not generated by IGOR.
+ """
+ from sas.sascalc.dataloader.manipulations import SlabX
+
+ r = SlabX(x_min=-.01, x_max=.01, y_min=-0.0002, y_max=0.0002, bin_width=0.0004)
+ r.fold = False
+ o = r(self.data)
+
+ answer = Loader().load('slabx_testdata.txt')
+ for i in range(len(o.x)):
+ self.assertAlmostEqual(o.x[i], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i], answer.dy[i], 4)
+
+ def test_slabY(self):
+ """
+ Test slab in Y
+ The test data was not generated by IGOR.
+ """
+ from sas.sascalc.dataloader.manipulations import SlabY
+
+ r = SlabY(x_min=.005, x_max=.01, y_min=-0.01, y_max=0.01, bin_width=0.0004)
+ r.fold = False
+ o = r(self.data)
+
+ answer = Loader().load('slaby_testdata.txt')
+ for i in range(len(o.x)):
+ self.assertAlmostEqual(o.x[i], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i], answer.dy[i], 4)
+
+ def test_sectorphi_full(self):
+ """
+ Test sector averaging I(phi)
+ When considering the whole azimuthal range (2pi),
+ the answer should be the same as ring averaging.
+ The test data was not generated by IGOR.
+ """
+ from sas.sascalc.dataloader.manipulations import SectorPhi
+ import math
+
+ nbins = 19
+ phi_min = math.pi / (nbins + 1)
+ phi_max = math.pi * 2 - phi_min
+
+ r = SectorPhi(r_min=.005,
+ r_max=.01,
+ phi_min=phi_min,
+ phi_max=phi_max,
+ nbins=nbins)
+ o = r(self.data)
+
+ answer = Loader().load('ring_testdata.txt')
+ for i in range(len(o.x)):
+ self.assertAlmostEqual(o.x[i], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i], answer.dy[i], 4)
+
+ def test_sectorphi_quarter(self):
+ """
+ Test sector averaging I(phi)
+ The test data was not generated by IGOR.
+ """
+ from sas.sascalc.dataloader.manipulations import SectorPhi
+ import math
+
+ r = SectorPhi(r_min=.005, r_max=.01, phi_min=0, phi_max=math.pi/2.0)
+ r.nbins_phi = 20
+ o = r(self.data)
+
+ answer = Loader().load('sectorphi_testdata.txt')
+ for i in range(len(o.x)):
+ self.assertAlmostEqual(o.x[i], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i], answer.dy[i], 4)
+
+ def test_sectorq_full(self):
+ """
+ Test sector averaging I(q)
+ The test data was not generated by IGOR.
+ """
+ from sas.sascalc.dataloader.manipulations import SectorQ
+ import math
+
+ r = SectorQ(r_min=.005, r_max=.01, phi_min=0, phi_max=math.pi/2.0)
+ r.nbins_phi = 20
+ o = r(self.data)
+
+ answer = Loader().load('sectorq_testdata.txt')
+ for i in range(len(o.x)):
+ self.assertAlmostEqual(o.x[i], answer.x[i], 4)
+ self.assertAlmostEqual(o.y[i], answer.y[i], 4)
+ self.assertAlmostEqual(o.dy[i], answer.dy[i], 4)
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/sasdataloader/test/utest_cansas.py b/test/sasdataloader/test/utest_cansas.py
new file mode 100644
index 0000000..b57c591
--- /dev/null
+++ b/test/sasdataloader/test/utest_cansas.py
@@ -0,0 +1,323 @@
+"""
+ Unit tests for the new recursive cansas reader
+"""
+import sas.sascalc.dataloader.readers.cansas_reader as cansas
+from sas.sascalc.dataloader.loader import Loader
+from sas.sascalc.dataloader.data_info import Data1D, Data2D
+from sas.sascalc.dataloader.readers.xml_reader import XMLreader
+from sas.sascalc.dataloader.readers.cansas_reader import Reader
+from sas.sascalc.dataloader.readers.cansas_constants import CansasConstants
+
+import os
+import sys
+import urllib2
+import StringIO
+import pylint as pylint
+import unittest
+import numpy
+import logging
+import warnings
+
+from lxml import etree
+from xml.dom import minidom
+
+warnings.simplefilter("ignore")
+
+CANSAS_FORMAT = CansasConstants.CANSAS_FORMAT
+CANSAS_NS = CansasConstants.CANSAS_NS
+
+class cansas_reader_xml(unittest.TestCase):
+
+ def setUp(self):
+ self.loader = Loader()
+ self.xml_valid = "cansas_test_modified.xml"
+ self.xml_invalid = "cansas_test.xml"
+ self.cansas1d_badunits = "cansas1d_badunits.xml"
+ self.cansas1d = "cansas1d.xml"
+ self.cansas1d_slit = "cansas1d_slit.xml"
+ self.cansas1d_units = "cansas1d_units.xml"
+ self.cansas1d_notitle = "cansas1d_notitle.xml"
+ self.isis_1_0 = "ISIS_1_0.xml"
+ self.isis_1_1 = "ISIS_1_1.xml"
+ self.isis_1_1_notrans = "ISIS_1_1_notrans.xml"
+ self.isis_1_1_doubletrans = "ISIS_1_1_doubletrans.xml"
+ self.schema_1_0 = "cansas1d_v1_0.xsd"
+ self.schema_1_1 = "cansas1d_v1_1.xsd"
+
+
+ def get_number_of_entries(self, dictionary, name, i):
+ if dictionary.get(name) is not None:
+ i += 1
+ name = name.split("_")[0]
+ name += "_{0}".format(i)
+ name = self.get_number_of_entries(dictionary, name, i)
+ return name
+
+
+ def test_invalid_xml(self):
+ """
+ Should fail gracefully and send a message to logging.info()
+ """
+ invalid = StringIO.StringIO('<a><c></b></a>')
+ reader = XMLreader(invalid)
+
+
+ def test_xml_validate(self):
+ string = "<xsd:schema xmlns:xsd=\"http://www.w3.org/2001/XMLSchema\">\n"
+ string += "\t<xsd:element name=\"a\" type=\"AType\"/>\n"
+ string += "\t<xsd:complexType name=\"AType\">\n"
+ string += "\t\t<xsd:sequence>\n"
+ string += "\t\t\t<xsd:element name=\"b\" type=\"xsd:string\" />\n"
+ string += "\t\t</xsd:sequence>\n"
+ string += "\t</xsd:complexType>\n"
+ string += "</xsd:schema>"
+ f = StringIO.StringIO(string)
+ xmlschema_doc = etree.parse(f)
+ xmlschema = etree.XMLSchema(xmlschema_doc)
+ valid = etree.parse(StringIO.StringIO('<a><b></b></a>'))
+ invalid = etree.parse(StringIO.StringIO('<a><c></c></a>'))
+ self.assertTrue(xmlschema.validate(valid))
+ self.assertFalse(xmlschema.validate(invalid))
+
+
+ def test_real_xml(self):
+ reader = XMLreader(self.xml_valid, self.schema_1_0)
+ valid = reader.validate_xml()
+ if valid:
+ self.assertTrue(valid)
+ else:
+ self.assertFalse(valid)
+
+
+ def _check_data(self, data):
+ self.assertTrue(data.title == "TK49 c10_SANS")
+ self.assertTrue(data.x.size == 138)
+ self.assertTrue(len(data.meta_data) == 3)
+ self.assertTrue(data.detector[0].distance_unit == "mm")
+ self.assertTrue(data.detector[1].distance_unit == "mm")
+ self.assertTrue(data.detector[0].name == "HAB")
+ self.assertTrue(data.detector[1].name == "main-detector-bank")
+ self.assertTrue(data.detector[0].distance == 575.0)
+ self.assertAlmostEqual(data.detector[1].distance, 4145.02)
+ self.assertTrue(data.process[0].name == "Mantid generated CanSAS1D XML")
+ self.assertTrue(data.meta_data["xmlpreprocess"] != None)
+
+
+ def _check_data_1_1(self, data):
+ spectrum = data.trans_spectrum[0]
+ self.assertTrue(len(spectrum.wavelength) == 138)
+
+
+ def test_cansas_xml(self):
+ filename = "isis_1_1_write_test.xml"
+ xmlreader = XMLreader(self.isis_1_1, self.schema_1_1)
+ valid = xmlreader.validate_xml()
+ xmlreader.set_processing_instructions()
+ self.assertTrue(valid)
+ fo = open(self.isis_1_1)
+ str = fo.read()
+ reader_generic = Loader()
+ dataloader = reader_generic.load(self.isis_1_1)
+ reader_cansas = Reader()
+ cansasreader = reader_cansas.read(self.isis_1_1)
+ for i in range(len(dataloader)):
+ self._check_data(dataloader[i])
+ self._check_data_1_1(dataloader[i])
+ self._check_data(cansasreader[i])
+ self._check_data_1_1(cansasreader[i])
+ reader_generic.save(filename, dataloader[i], None)
+ fo = open(filename)
+ str = fo.read()
+ reader2 = Loader()
+ return_data = reader2.load(filename)
+ written_data = return_data[0]
+ self._check_data(written_data)
+
+
+ def test_double_trans_spectra(self):
+ xmlreader = XMLreader(self.isis_1_1_doubletrans, self.schema_1_1)
+ self.assertTrue(xmlreader.validate_xml())
+ reader = Loader()
+ data = reader.load(self.isis_1_1_doubletrans)
+ for item in data:
+ self._check_data(item)
+
+
+ def test_entry_name_recurse(self):
+ test_values = [1,2,3,4,5,6]
+ base_key = "key"
+ d = {}
+ for value in test_values:
+ new_key = self.get_number_of_entries(d, base_key, i = 0)
+ d[new_key] = value
+ self.assertTrue(len(d) == 6)
+
+
+ def test_load_cansas_file(self):
+ valid = []
+ reader1 = XMLreader(self.xml_valid, self.schema_1_0)
+ self.assertTrue(reader1.validate_xml())
+ reader2 = XMLreader(self.xml_invalid, self.schema_1_0)
+ self.assertFalse(reader2.validate_xml())
+ reader3 = XMLreader(self.xml_valid, self.schema_1_1)
+ self.assertFalse(reader3.validate_xml())
+ reader4 = XMLreader(self.xml_invalid, self.schema_1_1)
+ self.assertFalse(reader4.validate_xml())
+ reader5 = XMLreader(self.isis_1_0, self.schema_1_0)
+ self.assertTrue(reader5.validate_xml())
+ reader6 = XMLreader(self.isis_1_1, self.schema_1_1)
+ self.assertTrue(reader6.validate_xml())
+ reader7 = XMLreader(self.isis_1_1, self.schema_1_0)
+ self.assertFalse(reader7.validate_xml())
+
+
+ def test_invalid_cansas(self):
+ list = self.loader.load(self.cansas1d_notitle)
+ data = list[0]
+ self.assertTrue(data.x.size == 2)
+ self.assertTrue(len(data.meta_data) == 2)
+ self.assertTrue(len(data.errors) == 1)
+ self.assertTrue(data.detector[0].distance_unit == "mm")
+ self.assertTrue(data.detector[0].name == "fictional hybrid")
+ self.assertTrue(data.detector[0].distance == 4150)
+
+
+ def test_old_cansas_files(self):
+ reader1 = XMLreader(self.cansas1d, self.schema_1_0)
+ self.assertTrue(reader1.validate_xml())
+ file_loader = Loader()
+ file1 = file_loader.load(self.cansas1d)
+ reader2 = XMLreader(self.cansas1d_units, self.schema_1_0)
+ self.assertTrue(reader2.validate_xml())
+ reader3 = XMLreader(self.cansas1d_badunits, self.schema_1_0)
+ self.assertTrue(reader3.validate_xml())
+ reader4 = XMLreader(self.cansas1d_slit, self.schema_1_0)
+ self.assertTrue(reader4.validate_xml())
+
+
+ def test_save_cansas_v1_0(self):
+ filename = "isis_1_0_write_test.xml"
+ xmlreader = XMLreader(self.isis_1_0, self.schema_1_0)
+ valid = xmlreader.validate_xml()
+ self.assertTrue(valid)
+ reader_generic = Loader()
+ dataloader = reader_generic.load(self.isis_1_0)
+ reader_cansas = Reader()
+ cansasreader = reader_cansas.read(self.isis_1_0)
+ for i in range(len(dataloader)):
+ self._check_data(dataloader[i])
+ self._check_data(cansasreader[i])
+ reader_generic.save(filename, dataloader[i], None)
+ reader2 = Reader()
+ return_data = reader2.read(filename)
+ written_data = return_data[0]
+ xmlwrite = XMLreader(filename, self.schema_1_0)
+ valid = xmlreader.validate_xml()
+ self.assertTrue(valid)
+ self._check_data(written_data)
+
+
+ def test_processing_instructions(self):
+ reader = XMLreader(self.isis_1_1, self.schema_1_1)
+ valid = reader.validate_xml()
+ if valid:
+ ## find the processing instructions and make into a dictionary
+ dic = self.get_processing_instructions(reader)
+ self.assertTrue(dic == {'xml-stylesheet': \
+ 'type="text/xsl" href="cansas1d.xsl" '})
+
+ xml = "<test><a><b><c></c></b></a></test>"
+ xmldoc = minidom.parseString(xml)
+
+ ## take the processing instructions and put them back in
+ xmldoc = self.set_processing_instructions(xmldoc, dic)
+ xml_output = xmldoc.toprettyxml()
+
+
+ def set_processing_instructions(self, minidom_object, dic):
+ xmlroot = minidom_object.firstChild
+ for item in dic:
+ pi = minidom_object.createProcessingInstruction(item, dic[item])
+ minidom_object.insertBefore(pi, xmlroot)
+ return minidom_object
+
+
+ def get_processing_instructions(self, xml_reader_object):
+ dict = {}
+ pi = xml_reader_object.xmlroot.getprevious()
+ i = 0
+ while pi is not None:
+ attr = {}
+ pi_name = ""
+ pi_string = etree.tostring(pi)
+ if isinstance(pi_string, str):
+ pi_string = pi_string.replace("<?", "").replace("?>", "")
+ split = pi_string.split(" ", 1)
+ pi_name = split[0]
+ attr = split[1]
+ dict[pi_name] = attr
+ pi = pi.getprevious()
+ return dict
+
+
+class cansas_reader_hdf5(unittest.TestCase):
+
+ def setUp(self):
+ self.loader = Loader()
+ self.datafile_basic = "simpleexamplefile.h5"
+ self.datafile_multiplesasentry = "cansas_1Dand2D_samedatafile.h5"
+ self.datafile_multiplesasdata = "cansas_1Dand2D_samesasentry.h5"
+ self.datafile_multiplesasdata_multiplesasentry = "cansas_1Dand2D_multiplesasentry_multiplesasdata.h5"
+
+ def test_real_data(self):
+ self.data = self.loader.load(self.datafile_basic)
+ self._check_example_data(self.data[0])
+
+ def test_multiple_sasentries(self):
+ self.data = self.loader.load(self.datafile_multiplesasentry)
+ self.assertTrue(len(self.data) == 2)
+ self._check_multiple_data(self.data[0])
+ self._check_multiple_data(self.data[1])
+ self._check_1d_data(self.data[0])
+
+ def _check_multiple_data(self, data):
+ self.assertTrue(data.title == "MH4_5deg_16T_SLOW")
+ self.assertTrue(data.run[0] == '33837')
+ self.assertTrue(len(data.run) == 1)
+ self.assertTrue(data.instrument == "SANS2D")
+ self.assertTrue(data.source.radiation == "Spallation Neutron Source")
+ self.assertTrue(len(data.detector) == 1)
+ self.assertTrue(data.detector[0].name == "rear-detector")
+ self.assertTrue(data.detector[0].distance == 4.385281)
+ self.assertTrue(data.detector[0].distance_unit == 'm')
+ self.assertTrue(len(data.trans_spectrum) == 1)
+
+ def _check_1d_data(self, data):
+ self.assertTrue(isinstance(data, Data1D))
+ self.assertTrue(len(data.x) == 66)
+ self.assertTrue(len(data.x) == len(data.y))
+ self.assertTrue(data.dy[10] == 0.20721350111248701)
+ self.assertTrue(data.y[10] == 24.193889608153476)
+ self.assertTrue(data.x[10] == 0.008981127988654792)
+
+ def _check_2d_data(self, data):
+ self.assertTrue(isinstance(data, Data2D))
+ self.assertTrue(len(data.x) == 66)
+ self.assertTrue(len(data.x) == len(data.y))
+ self.assertTrue(data.dy[10] == 0.20721350111248701)
+ self.assertTrue(data.y[10] == 24.193889608153476)
+ self.assertTrue(data.x[10] == 0.008981127988654792)
+
+ def _check_example_data(self, data):
+ self.assertTrue(data.title == "")
+ self.assertTrue(data.x.size == 100)
+ self.assertTrue(data._xunit == "A^{-1}")
+ self.assertTrue(data._yunit == "cm^{-1}")
+ self.assertTrue(data.y.size == 100)
+ self.assertAlmostEqual(data.y[9], 0.952749011516985)
+ self.assertAlmostEqual(data.x[9], 0.3834415188257777)
+ self.assertAlmostEqual(len(data.meta_data), 0)
+
+
+if __name__ == '__main__':
+ unittest.main()
\ No newline at end of file
diff --git a/test/sasdataloader/test/utest_red2d_reader.py b/test/sasdataloader/test/utest_red2d_reader.py
new file mode 100644
index 0000000..f02ede2
--- /dev/null
+++ b/test/sasdataloader/test/utest_red2d_reader.py
@@ -0,0 +1,34 @@
+"""
+ Unit tests for the red2d (3-7-column) reader
+"""
+import warnings
+warnings.simplefilter("ignore")
+
+import unittest
+from sas.sascalc.dataloader.loader import Loader
+
+import os.path
+
+class abs_reader(unittest.TestCase):
+
+ def setUp(self):
+ self.loader = Loader()
+
+ def test_checkdata(self):
+ """
+ Test .DAT file loaded as IGOR/DAT 2D Q_map
+ """
+ f = self.loader.load("exp18_14_igor_2dqxqy.dat")
+ # The length of the data is 10
+ self.assertEqual(len(f.qx_data), 36864)
+ self.assertEqual(f.qx_data[0],-0.03573497)
+ self.assertEqual(f.qx_data[36863],0.2908819)
+ self.assertEqual(f.Q_unit, '1/A')
+ self.assertEqual(f.I_unit, '1/cm')
+
+ self.assertEqual(f.meta_data['loader'],"IGOR/DAT 2D Q_map")
+
+
+if __name__ == '__main__':
+ unittest.main()
+
diff --git a/test/sasdataloader/test/write_test.xml b/test/sasdataloader/test/write_test.xml
new file mode 100644
index 0000000..e69de29
diff --git a/test/sasdataloader/test_log.txt b/test/sasdataloader/test_log.txt
new file mode 100644
index 0000000..530b981
--- /dev/null
+++ b/test/sasdataloader/test_log.txt
@@ -0,0 +1,3 @@
+2013-12-09 16:37:01,908 DEBUG Inside testLoad module
+2013-12-09 16:37:01,947 WARNING DataLoader couldn't locate DataLoader plugin folder. "C:\Users\jkrzywon\Desktop\eclipse\plugins\org.python.pydev_2.7.1.2012100913\../plugins" does not exist
+2013-12-09 16:37:01,950 WARNING DataLoader couldn't locate DataLoader plugin folder. "C:\Users\jkrzywon\Desktop\eclipse\plugins\org.python.pydev_2.7.1.2012100913\../plugins" does not exist
diff --git a/test/sasguiframe/test/cansas1d.xml b/test/sasguiframe/test/cansas1d.xml
new file mode 100644
index 0000000..8968e2d
--- /dev/null
+++ b/test/sasguiframe/test/cansas1d.xml
@@ -0,0 +1,141 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>Test title</Title>
+ <Run name='run name'>1234</Run>
+ <SASdata>
+ <Idata>
+ <Q unit="1/A">0.02</Q>
+ <I unit="1/cm">1000</I>
+ <Idev unit="1/cm">3</Idev>
+ <Qdev unit="1/A">0.01</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ <Idata>
+ <Q unit="1/A">0.03</Q>
+ <I unit="1/cm">1001</I>
+ <Idev unit="1/cm">4</Idev>
+ <Qdev unit="1/A">0.02</Qdev>
+ <Qmean unit="1/A"><!-- Qmean is optional --></Qmean>
+ <Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
+ </Idata>
+ </SASdata>
+ <SASsample name='my sample'>
+ <ID>SI600-new-long</ID>
+ <thickness unit="mm">1.03</thickness>
+ <transmission>0.327</transmission>
+ <temperature unit="C">0.0000</temperature>
+ <position>
+ <x unit="mm">10.00</x>
+ <y unit="mm">0.00</y>
+ </position>
+ <orientation>
+ <roll unit="degree">22.5<!-- was: sample_orientation --></roll>
+ <pitch unit="degree">0.020<!-- was: sample_offset_angle --></pitch>
+ </orientation>
+ <details>
+ <!-- was: sample_prep -->
+ http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
+ </details>
+ <details>
+ Some text here
+ </details>
+
+ </SASsample>
+ <SASinstrument>
+ <name>canSAS instrument</name>
+ <SASsource name="source name">
+ <radiation>neutron</radiation>
+ <beam_size name='bm'>
+ <x unit="mm">12.00</x>
+ <y unit="mm">13.00</y>
+ </beam_size>
+ <beam_shape>disc</beam_shape>
+ <wavelength unit="A">6.00</wavelength>
+ <wavelength_min unit="nm">0.22</wavelength_min>
+ <wavelength_max unit="nm">1.00</wavelength_max>
+ <wavelength_spread unit="percent">
+ 14.3
+ </wavelength_spread>
+ </SASsource>
+ <SAScollimation name="test coll name">
+ <length unit='mm'> 123.0</length>
+ <aperture name="source" type="radius">
+ <size>
+ <x unit="mm">50</x>
+ </size>
+ <distance unit="m">11.000<!-- was: distance_coll --></distance>
+ </aperture>
+ <aperture name="sample" type="radius">
+ <size name='size name'>
+ <x unit="mm">1</x>
+ </size>
+ </aperture>
+ </SAScollimation>
+ <SASdetector>
+ <name>fictional hybrid</name>
+ <SDD unit="m">
+ <!-- sample-to-detector distance -->
+ 4.150
+ </SDD>
+ <offset>
+ <x unit="mm">1</x>
+ <y unit="mm">2</y>
+ </offset>
+ <orientation>
+ <roll unit="degree">1.00</roll>
+ <pitch unit="degree">0.00</pitch>
+ <yaw unit="degree">0.00</yaw>
+ </orientation>
+ <beam_center>
+ <x unit="mm">322.64</x>
+ <y unit="mm">327.68</y>
+ </beam_center>
+ <pixel_size>
+ <x unit="mm">5.00</x>
+ <y unit="mm">5.00</y>
+ </pixel_size>
+ </SASdetector>
+ </SASinstrument>
+ <SASprocess>
+ <name>spol</name>
+ <date>04-Sep-2007 18:35:02</date>
+ <term name="radialstep" unit="mm">10.000</term>
+ <term name="sector_width" unit="degree">180.0</term>
+ <term name="sector_orient" unit="degree">0.0</term>
+ <term name="MASK_file">USER:MASK.COM</term>
+ <SASprocessnote>
+ AvA1 0.0000E+00 AsA2 1.0000E+00 XvA3 1.0526E+03 XsA4
+ 5.2200E-02 XfA5 0.0000E+00
+ </SASprocessnote>
+ <SASprocessnote>
+ S... 13597 0 2.26E+02 2A 5mM 0%D2O Sbak 13594 0 1.13E+02
+ H2O Buffer
+ </SASprocessnote>
+ <SASprocessnote>V... 13552 3 1.00E+00 H2O5m</SASprocessnote>
+ </SASprocess>
+ <SASprocess>
+ <name>NCNR-IGOR</name>
+ <date>03-SEP-2006 11:42:47</date>
+ <description />
+ <term name="average_type">Circular</term>
+ <term name="SAM_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="BKD_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="EMP_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="DIV_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="MASK_file">SEP06064.SA3_AJJ_L205</term>
+ <term name="ABS:TSTAND">1</term>
+ <term name="ABS:DSTAND" unit="mm">1</term>
+ <term name="ABS:IZERO">230.09</term>
+ <term name="ABS:XSECT" unit="mm">1</term>
+ <SASprocessnote>No Information</SASprocessnote>
+ </SASprocess>
+ <SASnote />
+ </SASentry>
+</SASroot>
diff --git a/test/sasguiframe/test/utest_manipulations.py b/test/sasguiframe/test/utest_manipulations.py
new file mode 100644
index 0000000..2f7fcad
--- /dev/null
+++ b/test/sasguiframe/test/utest_manipulations.py
@@ -0,0 +1,371 @@
+"""
+ Unit tests for data manipulations
+"""
+#TODO: what happens if you add a Data1D to a Data2D?
+
+import unittest
+import numpy, math
+from sas.sascalc.dataloader.loader import Loader
+from sas.sasgui.guiframe.dataFitting import Data1D, Data2D
+from sas.sasgui.guiframe.dataFitting import Data1D as Theory1D
+
+import os.path
+
+class data_info_tests(unittest.TestCase):
+
+ def setUp(self):
+ data = Loader().load("cansas1d.xml")
+ self.data = data[0]
+
+ def test_clone1D(self):
+ """
+ Test basic cloning
+ """
+ clone = self.data.clone_without_data()
+
+ for i in range(len(self.data.detector)):
+ self.assertEqual(self.data.detector[i].distance, clone.detector[i].distance)
+
+class theory1d_tests(unittest.TestCase):
+
+ def setUp(self):
+ data = Loader().load("cansas1d.xml")
+ self.data = data[0]
+
+ def test_clone_theory1D(self):
+ """
+ Test basic cloning
+ """
+ theory = Theory1D(x=[], y=[], dy=None)
+ theory.clone_without_data(clone=self.data)
+ theory.copy_from_datainfo(data1d=self.data)
+ for i in range(len(self.data.detector)):
+ self.assertEqual(self.data.detector[i].distance, theory.detector[i].distance)
+
+ for i in range(len(self.data.x)):
+ self.assertEqual(self.data.x[i], theory.x[i])
+ self.assertEqual(self.data.y[i], theory.y[i])
+ self.assertEqual(self.data.dy[i], theory.dy[i])
+
+class manip_tests(unittest.TestCase):
+
+ def setUp(self):
+ # Create two data sets to play with
+ x_0 = numpy.ones(5)
+ for i in range(5):
+ x_0[i] = x_0[i]*(i+1.0)
+
+ y_0 = 2.0*numpy.ones(5)
+ dy_0 = 0.5*numpy.ones(5)
+ self.data = Data1D(x_0, y_0, dy=dy_0)
+
+ x = self.data.x
+ y = numpy.ones(5)
+ dy = numpy.ones(5)
+ self.data2 = Data1D(x, y, dy=dy)
+
+
+ def test_load(self):
+ """
+ Test whether the test file was loaded properly
+ """
+ # There should be 5 entries in the file
+ self.assertEqual(len(self.data.x), 5)
+
+ for i in range(5):
+ # The x values should be from 1 to 5
+ self.assertEqual(self.data.x[i], float(i+1))
+
+ # All y-error values should be 0.5
+ self.assertEqual(self.data.dy[i], 0.5)
+
+ # All y values should be 2.0
+ self.assertEqual(self.data.y[i], 2.0)
+
+ def test_add(self):
+ result = self.data2+self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 3.0)
+ self.assertEqual(result.dy[i], math.sqrt(0.5**2+1.0))
+
+ def test_sub(self):
+ result = self.data2-self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], -1.0)
+ self.assertEqual(result.dy[i], math.sqrt(0.5**2+1.0))
+
+ def test_mul(self):
+ result = self.data2*self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 2.0)
+ self.assertEqual(result.dy[i], math.sqrt((0.5*1.0)**2+(1.0*2.0)**2))
+
+ def test_div(self):
+ result = self.data2/self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 0.5)
+ self.assertEqual(result.dy[i], math.sqrt((1.0/2.0)**2+(0.5*1.0/4.0)**2))
+
+ def test_radd(self):
+ result = self.data+3.0
+ for i in range(5):
+ self.assertEqual(result.y[i], 5.0)
+ self.assertEqual(result.dy[i], 0.5)
+
+ result = 3.0+self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 5.0)
+ self.assertEqual(result.dy[i], 0.5)
+
+ def test_rsub(self):
+ result = self.data-3.0
+ for i in range(5):
+ self.assertEqual(result.y[i], -1.0)
+ self.assertEqual(result.dy[i], 0.5)
+
+ result = 3.0-self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 1.0)
+ self.assertEqual(result.dy[i], 0.5)
+
+ def test_rmul(self):
+ result = self.data*3.0
+ for i in range(5):
+ self.assertEqual(result.y[i], 6.0)
+ self.assertEqual(result.dy[i], 1.5)
+
+ result = 3.0*self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 6.0)
+ self.assertEqual(result.dy[i], 1.5)
+
+ def test_rdiv(self):
+ result = self.data/4.0
+ for i in range(5):
+ self.assertEqual(result.y[i], 0.5)
+ self.assertEqual(result.dy[i], 0.125)
+
+ result = 6.0/self.data
+ for i in range(5):
+ self.assertEqual(result.y[i], 3.0)
+ self.assertEqual(result.dy[i], 6.0*0.5/4.0)
+
+class manip_2D(unittest.TestCase):
+
+ def setUp(self):
+ # Create two data sets to play with
+ x_0 = 2.0*numpy.ones(25)
+ dx_0 = 0.5*numpy.ones(25)
+ qx_0 = numpy.arange(25)
+ qy_0 = numpy.arange(25)
+ mask_0 = numpy.zeros(25)
+ dqx_0 = numpy.arange(25)/100
+ dqy_0 = numpy.arange(25)/100
+ q_0 = numpy.sqrt(qx_0 * qx_0 + qy_0 * qy_0)
+ self.data = Data2D(image=x_0, err_image=dx_0, qx_data=qx_0,
+ qy_data=qy_0, q_data=q_0, mask=mask_0,
+ dqx_data=dqx_0, dqy_data=dqy_0)
+
+ y = numpy.ones(25)
+ dy = numpy.ones(25)
+ qx = numpy.arange(25)
+ qy = numpy.arange(25)
+ mask = numpy.zeros(25)
+ q = numpy.sqrt(qx * qx + qy * qy)
+ self.data2 = Data2D(image=y, err_image=dy, qx_data=qx, qy_data=qy,
+ q_data=q, mask=mask)
+
+
+ def test_load(self):
+ """
+ Test whether the test file was loaded properly
+ """
+ # There should be 5 entries in the file
+ self.assertEqual(numpy.size(self.data.data), 25)
+
+ for i in range(25):
+ # All y-error values should be 0.5
+ self.assertEqual(self.data.err_data[i], 0.5)
+
+ # All y values should be 2.0
+ self.assertEqual(self.data.data[i], 2.0)
+
+ def test_add(self):
+ result = self.data2+self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 3.0)
+ self.assertEqual(result.err_data[i], math.sqrt(0.5**2+1.0))
+
+ def test_sub(self):
+ result = self.data2-self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], -1.0)
+ self.assertEqual(result.err_data[i], math.sqrt(0.5**2+1.0))
+
+ def test_mul(self):
+ result = self.data2*self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 2.0)
+ self.assertEqual(result.err_data[i], math.sqrt((0.5*1.0)**2+(1.0*2.0)**2))
+
+ def test_div(self):
+ result = self.data2/self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 0.5)
+ self.assertEqual(result.err_data[i], math.sqrt((1.0/2.0)**2+(0.5*1.0/4.0)**2))
+
+ def test_radd(self):
+ result = self.data+3.0
+ for i in range(25):
+ self.assertEqual(result.data[i], 5.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ result = 3.0+self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 5.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ def test_rsub(self):
+ result = self.data-3.0
+ for i in range(25):
+ self.assertEqual(result.data[i], -1.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ result = 3.0-self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 1.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ def test_rmul(self):
+ result = self.data*3.0
+ for i in range(25):
+ self.assertEqual(result.data[i], 6.0)
+ self.assertEqual(result.err_data[i], 1.5)
+
+ result = 3.0*self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 6.0)
+ self.assertEqual(result.err_data[i], 1.5)
+
+ def test_rdiv(self):
+ result = self.data/4.0
+ for i in range(25):
+ self.assertEqual(result.data[i], 0.5)
+ self.assertEqual(result.err_data[i], 0.125)
+
+ result = 6.0/self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 3.0)
+ self.assertEqual(result.err_data[i], 6.0*0.5/4.0)
+
+class extra_manip_2D(unittest.TestCase):
+
+ def setUp(self):
+ # Create two data sets to play with
+ x_0 = 2.0*numpy.ones(25)
+ dx_0 = 0.5*numpy.ones(25)
+ qx_0 = numpy.arange(25)
+ qy_0 = numpy.arange(25)
+ mask_0 = numpy.zeros(25)
+ dqx_0 = numpy.arange(25)/100
+ dqy_0 = numpy.arange(25)/100
+ q_0 = numpy.sqrt(qx_0 * qx_0 + qy_0 * qy_0)
+ self.data = Data2D(image=x_0, err_image=dx_0, qx_data=qx_0,
+ qy_data=qy_0, q_data=q_0, mask=mask_0,
+ dqx_data=dqx_0, dqy_data=dqy_0)
+
+ y = numpy.ones(25)
+ dy = numpy.ones(25)
+ qx = numpy.arange(25)
+ qy = numpy.arange(25)
+ mask = numpy.zeros(25)
+ q = numpy.sqrt(qx * qx + qy * qy)
+ self.data2 = Data2D(image=y, err_image=dy, qx_data=qx, qy_data=qy,
+ q_data=q, mask=mask)
+
+
+ def test_load(self):
+ """
+ Test whether the test file was loaded properly
+ """
+ # There should be 5 entries in the file
+ self.assertEqual(numpy.size(self.data.data), 25)
+
+ for i in range(25):
+ # All y-error values should be 0.5
+ self.assertEqual(self.data.err_data[i], 0.5)
+
+ # All y values should be 2.0
+ self.assertEqual(self.data.data[i], 2.0)
+
+ def test_add(self):
+ result = self.data2+self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 3.0)
+ self.assertEqual(result.err_data[i], math.sqrt(0.5**2+1.0))
+
+ def test_sub(self):
+ result = self.data2-self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], -1.0)
+ self.assertEqual(result.err_data[i], math.sqrt(0.5**2+1.0))
+
+ def test_mul(self):
+ result = self.data2*self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 2.0)
+ self.assertEqual(result.err_data[i], math.sqrt((0.5*1.0)**2+(1.0*2.0)**2))
+
+ def test_div(self):
+ result = self.data2/self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 0.5)
+ self.assertEqual(result.err_data[i], math.sqrt((1.0/2.0)**2+(0.5*1.0/4.0)**2))
+
+ def test_radd(self):
+ result = self.data+3.0
+ for i in range(25):
+ self.assertEqual(result.data[i], 5.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ result = 3.0+self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 5.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ def test_rsub(self):
+ result = self.data-3.0
+ for i in range(25):
+ self.assertEqual(result.data[i], -1.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ result = 3.0-self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 1.0)
+ self.assertEqual(result.err_data[i], 0.5)
+
+ def test_rmul(self):
+ result = self.data*3.0
+ for i in range(25):
+ self.assertEqual(result.data[i], 6.0)
+ self.assertEqual(result.err_data[i], 1.5)
+
+ result = 3.0*self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 6.0)
+ self.assertEqual(result.err_data[i], 1.5)
+
+ def test_rdiv(self):
+ result = self.data/4.0
+ for i in range(25):
+ self.assertEqual(result.data[i], 0.5)
+ self.assertEqual(result.err_data[i], 0.125)
+
+ result = 6.0/self.data
+ for i in range(25):
+ self.assertEqual(result.data[i], 3.0)
+ self.assertEqual(result.err_data[i], 6.0*0.5/4.0)
+
+if __name__ == '__main__':
+ unittest.main()
+
diff --git a/test/sasinvariant/test/PolySpheres.txt b/test/sasinvariant/test/PolySpheres.txt
new file mode 100644
index 0000000..72a3185
--- /dev/null
+++ b/test/sasinvariant/test/PolySpheres.txt
@@ -0,0 +1,129 @@
+0 0 0
+0.003 5.58459588740281 1.18158747955905
+0.0031098987853131 5.58031083426704 0.590567038651574
+0.00322382348496395 5.57570963566376 0.393549009924917
+0.00334192157998441 5.57076925142489 0.295030963719936
+0.00346434595406838 5.56546500626888 0.235912377934454
+0.00359125509148719 5.55977048060564 0.19649304625464
+0.00372281328225516 5.55365739513176 0.168329993494493
+0.00385919083481093 5.54709548904188 0.147201704317816
+0.00400056429648997 5.54005239171167 0.130762866039685
+0.0041471166820737 5.53249348774542 0.117606265646706
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diff --git a/test/sasinvariant/test/latex_smeared.xml b/test/sasinvariant/test/latex_smeared.xml
new file mode 100644
index 0000000..9942c65
--- /dev/null
+++ b/test/sasinvariant/test/latex_smeared.xml
@@ -0,0 +1,443 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="example.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O Qdev</Title>
+ <Run>latex_sans</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">0.003797</Q><I unit="1/cm">4006.05896074137</I><Idev unit="1/cm">160.350516888371</Idev><Qdev unit="1/A">0.00109</Qdev><Qmean unit="1/A">0.003945</Qmean><Shadowfactor>0.9956</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.004197</Q><I unit="1/cm">1594.1292143245</I><Idev unit="1/cm">144.193913580953</Idev><Qdev unit="1/A">0.001093</Qdev><Qmean unit="1/A">0.004328</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.004596</Q><I unit="1/cm">772.577974895497</I><Idev unit="1/cm">47.4452686423936</Idev><Qdev unit="1/A">0.001096</Qdev><Qmean unit="1/A">0.004716</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.004996</Q><I unit="1/cm">491.192789065555</I><Idev unit="1/cm">1.64212795726675</Idev><Qdev unit="1/A">0.0011</Qdev><Qmean unit="1/A">0.005106</Qmean><Shadowfactor>1</Shadowfactor></Idata>
+ <Idata><Q unit="1/A">0.005396</Q><I unit="1/cm">339.222462507531</I><Idev unit="1/cm">18.6638380002217</Idev><Qdev unit="1/A">0.001105</Qdev><Qmean unit="1/A">0.005498</Qmean><Shadowfactor>1</Shadowfactor></Idata>
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+ </SASdata>
+ <SASsample>
+ <ID></ID>
+ <thickness unit="mm">1</thickness>
+ <transmission>0.327</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name></name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">5</wavelength>
+ </SASsource>
+ <SAScollimation>
+ </SAScollimation>
+ <SASdetector>
+ <name></name>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>
+ free form description of processing
+ </SASnote>
+ </SASentry>
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O slit</Title>
+ <Run>latex_usans</Run>
+ <SASdata>
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+ <Idata><Q unit="1/A">8.8557e-05</Q><I unit="1/cm">8091.51</I><Idev unit="1/cm">149.908</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">9.4107e-05</Q><I unit="1/cm">7947.7</I><Idev unit="1/cm">148.184</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">9.9657e-05</Q><I unit="1/cm">8174.04</I><Idev unit="1/cm">149.824</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000105207</Q><I unit="1/cm">7890.52</I><Idev unit="1/cm">147.061</Idev><dQl unit="1/A">0.117</dQl></Idata>
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+ <Idata><Q unit="1/A">0.000166257</Q><I unit="1/cm">7877.91</I><Idev unit="1/cm">73.1936</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000177357</Q><I unit="1/cm">7769.46</I><Idev unit="1/cm">72.6739</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000188457</Q><I unit="1/cm">7746.93</I><Idev unit="1/cm">72.5899</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000199557</Q><I unit="1/cm">7820.8</I><Idev unit="1/cm">72.9063</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000210657</Q><I unit="1/cm">7656.83</I><Idev unit="1/cm">72.1007</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000221757</Q><I unit="1/cm">7777.33</I><Idev unit="1/cm">72.6551</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000232857</Q><I unit="1/cm">7613.01</I><Idev unit="1/cm">71.8768</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000243957</Q><I unit="1/cm">7498.28</I><Idev unit="1/cm">71.316</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000255057</Q><I unit="1/cm">7494.75</I><Idev unit="1/cm">71.2836</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000266157</Q><I unit="1/cm">7266.92</I><Idev unit="1/cm">70.182</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000277257</Q><I unit="1/cm">7292.37</I><Idev unit="1/cm">57.4236</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000305007</Q><I unit="1/cm">7214.55</I><Idev unit="1/cm">57.0526</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000332757</Q><I unit="1/cm">7103.18</I><Idev unit="1/cm">56.5915</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000360507</Q><I unit="1/cm">6883.81</I><Idev unit="1/cm">55.7205</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000388257</Q><I unit="1/cm">6818.14</I><Idev unit="1/cm">55.4232</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000416007</Q><I unit="1/cm">6591.98</I><Idev unit="1/cm">54.4991</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000443757</Q><I unit="1/cm">6420.5</I><Idev unit="1/cm">53.7756</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000471507</Q><I unit="1/cm">6120.15</I><Idev unit="1/cm">52.5042</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000499257</Q><I unit="1/cm">5950.12</I><Idev unit="1/cm">51.7582</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000527007</Q><I unit="1/cm">5792.76</I><Idev unit="1/cm">51.0591</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000554757</Q><I unit="1/cm">5524.39</I><Idev unit="1/cm">43.2058</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000610257</Q><I unit="1/cm">5127.92</I><Idev unit="1/cm">41.599</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000665757</Q><I unit="1/cm">4753.49</I><Idev unit="1/cm">40.0733</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000721257</Q><I unit="1/cm">4355.25</I><Idev unit="1/cm">38.3487</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000776757</Q><I unit="1/cm">3878.25</I><Idev unit="1/cm">36.2076</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000832257</Q><I unit="1/cm">3471.25</I><Idev unit="1/cm">34.2637</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000887757</Q><I unit="1/cm">3022.77</I><Idev unit="1/cm">31.9597</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000943257</Q><I unit="1/cm">2600.33</I><Idev unit="1/cm">29.6463</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000998757</Q><I unit="1/cm">2309.11</I><Idev unit="1/cm">27.9459</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00105426</Q><I unit="1/cm">1975.45</I><Idev unit="1/cm">25.8603</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00110976</Q><I unit="1/cm">1701.57</I><Idev unit="1/cm">21.4532</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00122076</Q><I unit="1/cm">1156.72</I><Idev unit="1/cm">17.7038</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00133176</Q><I unit="1/cm">748.659</I><Idev unit="1/cm">14.2685</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00144276</Q><I unit="1/cm">465.515</I><Idev unit="1/cm">11.2799</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00155376</Q><I unit="1/cm">252.307</I><Idev unit="1/cm">8.35705</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00166476</Q><I unit="1/cm">157.822</I><Idev unit="1/cm">6.66382</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00177576</Q><I unit="1/cm">117.146</I><Idev unit="1/cm">5.78352</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00188676</Q><I unit="1/cm">93.1465</I><Idev unit="1/cm">5.19397</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00199776</Q><I unit="1/cm">103.864</I><Idev unit="1/cm">5.46342</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00210876</Q><I unit="1/cm">128.147</I><Idev unit="1/cm">6.0333</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00221976</Q><I unit="1/cm">135.96</I><Idev unit="1/cm">6.20529</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00233076</Q><I unit="1/cm">138.712</I><Idev unit="1/cm">6.26599</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00244176</Q><I unit="1/cm">126.272</I><Idev unit="1/cm">5.99155</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00255276</Q><I unit="1/cm">114.46</I><Idev unit="1/cm">5.72081</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00266376</Q><I unit="1/cm">74.2613</I><Idev unit="1/cm">4.67786</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00277476</Q><I unit="1/cm">72.3794</I><Idev unit="1/cm">4.62347</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00288576</Q><I unit="1/cm">47.3385</I><Idev unit="1/cm">3.82544</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00299676</Q><I unit="1/cm">36.0379</I><Idev unit="1/cm">3.40491</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00310776</Q><I unit="1/cm">30.3854</I><Idev unit="1/cm">3.17364</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00321876</Q><I unit="1/cm">24.7429</I><Idev unit="1/cm">2.92505</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00332976</Q><I unit="1/cm">28.5101</I><Idev unit="1/cm">3.09348</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00344076</Q><I unit="1/cm">27.9635</I><Idev unit="1/cm">3.06924</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00355176</Q><I unit="1/cm">33.3649</I><Idev unit="1/cm">3.29833</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00366276</Q><I unit="1/cm">35.237</I><Idev unit="1/cm">3.37337</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00377376</Q><I unit="1/cm">29.0365</I><Idev unit="1/cm">3.11578</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00388476</Q><I unit="1/cm">32.5455</I><Idev unit="1/cm">3.26424</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00399576</Q><I unit="1/cm">23.1284</I><Idev unit="1/cm">2.84982</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00410676</Q><I unit="1/cm">23.6642</I><Idev unit="1/cm">2.87489</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00421776</Q><I unit="1/cm">19.3575</I><Idev unit="1/cm">2.66567</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00432876</Q><I unit="1/cm">12.8971</I><Idev unit="1/cm">2.31662</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00443976</Q><I unit="1/cm">12.8958</I><Idev unit="1/cm">2.31647</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00455076</Q><I unit="1/cm">9.66256</I><Idev unit="1/cm">2.12012</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00466176</Q><I unit="1/cm">9.66792</I><Idev unit="1/cm">2.1208</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00477276</Q><I unit="1/cm">9.39793</I><Idev unit="1/cm">2.10354</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00488376</Q><I unit="1/cm">13.7138</I><Idev unit="1/cm">2.36412</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00499476</Q><I unit="1/cm">14.2495</I><Idev unit="1/cm">2.39427</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00510576</Q><I unit="1/cm">9.12935</I><Idev unit="1/cm">2.08632</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00521676</Q><I unit="1/cm">11.822</I><Idev unit="1/cm">2.25339</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00532776</Q><I unit="1/cm">10.7551</I><Idev unit="1/cm">2.18935</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00543876</Q><I unit="1/cm">11.8258</I><Idev unit="1/cm">2.25385</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00554976</Q><I unit="1/cm">8.04703</I><Idev unit="1/cm">2.01492</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ </SASdata>
+ <SASsample>
+ <ID></ID>
+ <thickness unit="mm">1</thickness>
+ <transmission>0.84031</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name></name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">2.38</wavelength>
+ </SASsource>
+ <SAScollimation>
+ </SAScollimation>
+ <SASdetector>
+ <name></name>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>
+ free form description of processing
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/test/sasinvariant/test/latex_smeared_slit.xml b/test/sasinvariant/test/latex_smeared_slit.xml
new file mode 100644
index 0000000..8ef24d4
--- /dev/null
+++ b/test/sasinvariant/test/latex_smeared_slit.xml
@@ -0,0 +1,117 @@
+<?xml version="1.0"?>
+<?xml-stylesheet type="text/xsl" href="cansasxml-html.xsl" ?>
+<SASroot version="1.0"
+ xmlns="cansas1d/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="cansas1d/1.0 http://svn.smallangles.net/svn/canSAS/1dwg/trunk/cansas1d.xsd"
+ >
+
+ <SASentry>
+ <Title>latex particles 0.5micron diameter in D2O slit</Title>
+ <Run>latex_usans</Run>
+ <SASdata>
+ <Idata><Q unit="1/A">7.7457e-05</Q><I unit="1/cm">8432.04</I><Idev unit="1/cm">153.745</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">8.3007e-05</Q><I unit="1/cm">8298.38</I><Idev unit="1/cm">152.01</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">8.8557e-05</Q><I unit="1/cm">8091.51</I><Idev unit="1/cm">149.908</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">9.4107e-05</Q><I unit="1/cm">7947.7</I><Idev unit="1/cm">148.184</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">9.9657e-05</Q><I unit="1/cm">8174.04</I><Idev unit="1/cm">149.824</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000105207</Q><I unit="1/cm">7890.52</I><Idev unit="1/cm">147.061</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000110757</Q><I unit="1/cm">8067.04</I><Idev unit="1/cm">74.9155</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000121857</Q><I unit="1/cm">7995.24</I><Idev unit="1/cm">74.0244</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000132957</Q><I unit="1/cm">7969.3</I><Idev unit="1/cm">73.7818</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000144057</Q><I unit="1/cm">7953.56</I><Idev unit="1/cm">73.6532</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000155157</Q><I unit="1/cm">7896.35</I><Idev unit="1/cm">73.3392</Idev><dQl unit="1/A">0.117</dQl></Idata>
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+ <Idata><Q unit="1/A">0.000610257</Q><I unit="1/cm">5127.92</I><Idev unit="1/cm">41.599</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000665757</Q><I unit="1/cm">4753.49</I><Idev unit="1/cm">40.0733</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000721257</Q><I unit="1/cm">4355.25</I><Idev unit="1/cm">38.3487</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000776757</Q><I unit="1/cm">3878.25</I><Idev unit="1/cm">36.2076</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000832257</Q><I unit="1/cm">3471.25</I><Idev unit="1/cm">34.2637</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000887757</Q><I unit="1/cm">3022.77</I><Idev unit="1/cm">31.9597</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000943257</Q><I unit="1/cm">2600.33</I><Idev unit="1/cm">29.6463</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.000998757</Q><I unit="1/cm">2309.11</I><Idev unit="1/cm">27.9459</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00105426</Q><I unit="1/cm">1975.45</I><Idev unit="1/cm">25.8603</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00110976</Q><I unit="1/cm">1701.57</I><Idev unit="1/cm">21.4532</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00122076</Q><I unit="1/cm">1156.72</I><Idev unit="1/cm">17.7038</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00133176</Q><I unit="1/cm">748.659</I><Idev unit="1/cm">14.2685</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00144276</Q><I unit="1/cm">465.515</I><Idev unit="1/cm">11.2799</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00155376</Q><I unit="1/cm">252.307</I><Idev unit="1/cm">8.35705</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00166476</Q><I unit="1/cm">157.822</I><Idev unit="1/cm">6.66382</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00177576</Q><I unit="1/cm">117.146</I><Idev unit="1/cm">5.78352</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00188676</Q><I unit="1/cm">93.1465</I><Idev unit="1/cm">5.19397</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00199776</Q><I unit="1/cm">103.864</I><Idev unit="1/cm">5.46342</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00210876</Q><I unit="1/cm">128.147</I><Idev unit="1/cm">6.0333</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00221976</Q><I unit="1/cm">135.96</I><Idev unit="1/cm">6.20529</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00233076</Q><I unit="1/cm">138.712</I><Idev unit="1/cm">6.26599</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00244176</Q><I unit="1/cm">126.272</I><Idev unit="1/cm">5.99155</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00255276</Q><I unit="1/cm">114.46</I><Idev unit="1/cm">5.72081</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00266376</Q><I unit="1/cm">74.2613</I><Idev unit="1/cm">4.67786</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00277476</Q><I unit="1/cm">72.3794</I><Idev unit="1/cm">4.62347</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00288576</Q><I unit="1/cm">47.3385</I><Idev unit="1/cm">3.82544</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00299676</Q><I unit="1/cm">36.0379</I><Idev unit="1/cm">3.40491</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00310776</Q><I unit="1/cm">30.3854</I><Idev unit="1/cm">3.17364</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00321876</Q><I unit="1/cm">24.7429</I><Idev unit="1/cm">2.92505</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00332976</Q><I unit="1/cm">28.5101</I><Idev unit="1/cm">3.09348</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00344076</Q><I unit="1/cm">27.9635</I><Idev unit="1/cm">3.06924</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00355176</Q><I unit="1/cm">33.3649</I><Idev unit="1/cm">3.29833</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00366276</Q><I unit="1/cm">35.237</I><Idev unit="1/cm">3.37337</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00377376</Q><I unit="1/cm">29.0365</I><Idev unit="1/cm">3.11578</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00388476</Q><I unit="1/cm">32.5455</I><Idev unit="1/cm">3.26424</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00399576</Q><I unit="1/cm">23.1284</I><Idev unit="1/cm">2.84982</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00410676</Q><I unit="1/cm">23.6642</I><Idev unit="1/cm">2.87489</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00421776</Q><I unit="1/cm">19.3575</I><Idev unit="1/cm">2.66567</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00432876</Q><I unit="1/cm">12.8971</I><Idev unit="1/cm">2.31662</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00443976</Q><I unit="1/cm">12.8958</I><Idev unit="1/cm">2.31647</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00455076</Q><I unit="1/cm">9.66256</I><Idev unit="1/cm">2.12012</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00466176</Q><I unit="1/cm">9.66792</I><Idev unit="1/cm">2.1208</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00477276</Q><I unit="1/cm">9.39793</I><Idev unit="1/cm">2.10354</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00488376</Q><I unit="1/cm">13.7138</I><Idev unit="1/cm">2.36412</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00499476</Q><I unit="1/cm">14.2495</I><Idev unit="1/cm">2.39427</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00510576</Q><I unit="1/cm">9.12935</I><Idev unit="1/cm">2.08632</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00521676</Q><I unit="1/cm">11.822</I><Idev unit="1/cm">2.25339</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00532776</Q><I unit="1/cm">10.7551</I><Idev unit="1/cm">2.18935</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00543876</Q><I unit="1/cm">11.8258</I><Idev unit="1/cm">2.25385</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ <Idata><Q unit="1/A">0.00554976</Q><I unit="1/cm">8.04703</I><Idev unit="1/cm">2.01492</Idev><dQl unit="1/A">0.117</dQl></Idata>
+ </SASdata>
+ <SASsample>
+ <ID></ID>
+ <thickness unit="mm">1</thickness>
+ <transmission>0.84031</transmission>
+ </SASsample>
+ <SASinstrument>
+ <name></name>
+ <SASsource>
+ <radiation>neutron</radiation>
+ <wavelength unit="A">2.38</wavelength>
+ </SASsource>
+ <SAScollimation>
+ </SAScollimation>
+ <SASdetector>
+ <name></name>
+ </SASdetector>
+ </SASinstrument>
+ <SASnote>
+ free form description of processing
+ </SASnote>
+ </SASentry>
+</SASroot>
\ No newline at end of file
diff --git a/test/sasinvariant/test/linefittest.txt b/test/sasinvariant/test/linefittest.txt
new file mode 100644
index 0000000..dd7f3b8
--- /dev/null
+++ b/test/sasinvariant/test/linefittest.txt
@@ -0,0 +1,10 @@
+1 3 1
+2 6 1
+3 8 1
+4 11 2
+5 13 2
+6 15 2
+7 17 3
+8 20 3
+9 22 3
+10 27 6
\ No newline at end of file
diff --git a/test/sasinvariant/test/linefittest_no_weight.txt b/test/sasinvariant/test/linefittest_no_weight.txt
new file mode 100644
index 0000000..7532974
--- /dev/null
+++ b/test/sasinvariant/test/linefittest_no_weight.txt
@@ -0,0 +1,10 @@
+1 3
+2 6
+3 8
+4 11
+5 13
+6 15
+7 17
+8 20
+9 22
+10 27
\ No newline at end of file
diff --git a/test/sasinvariant/test/utest_data_handling.py b/test/sasinvariant/test/utest_data_handling.py
new file mode 100644
index 0000000..010606b
--- /dev/null
+++ b/test/sasinvariant/test/utest_data_handling.py
@@ -0,0 +1,677 @@
+"""
+This software was developed by the University of Tennessee as part of the
+Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
+project funded by the US National Science Foundation.
+
+See the license text in license.txt
+
+copyright 2010, University of Tennessee
+"""
+import unittest
+import numpy, math
+from sas.sascalc.dataloader.loader import Loader
+from sas.sascalc.dataloader.data_info import Data1D
+
+from sas.sascalc.invariant import invariant
+
+class TestLinearFit(unittest.TestCase):
+ """
+ Test Line fit
+ """
+ def setUp(self):
+ x = numpy.asarray([1.,2.,3.,4.,5.,6.,7.,8.,9.])
+ y = numpy.asarray([1.,2.,3.,4.,5.,6.,7.,8.,9.])
+ dy = y/10.0
+
+ self.data = Data1D(x=x,y=y,dy=dy)
+
+ def test_fit_linear_data(self):
+ """
+ Simple linear fit
+ """
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+ #a,b = fit.fit()
+ p, dp = fit.fit()
+
+ # Test results
+ self.assertAlmostEquals(p[0], 1.0, 5)
+ self.assertAlmostEquals(p[1], 0.0, 5)
+
+ def test_fit_linear_data_with_noise(self):
+ """
+ Simple linear fit with noise
+ """
+ import random, math
+
+ for i in range(len(self.data.y)):
+ self.data.y[i] = self.data.y[i]+.1*(random.random()-0.5)
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+ p, dp = fit.fit()
+
+ # Test results
+ self.assertTrue(math.fabs(p[0]-1.0)<0.05)
+ self.assertTrue(math.fabs(p[1])<0.1)
+
+ def test_fit_with_fixed_parameter(self):
+ """
+ Linear fit for y=ax+b where a is fixed.
+ """
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+ p, dp = fit.fit(power=-1.0)
+
+ # Test results
+ self.assertAlmostEquals(p[0], 1.0, 5)
+ self.assertAlmostEquals(p[1], 0.0, 5)
+
+ def test_fit_linear_data_with_noise_and_fixed_par(self):
+ """
+ Simple linear fit with noise
+ """
+ import random, math
+
+ for i in range(len(self.data.y)):
+ self.data.y[i] = self.data.y[i]+.1*(random.random()-0.5)
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+ p, dp = fit.fit(power=-1.0)
+
+ # Test results
+ self.assertTrue(math.fabs(p[0]-1.0)<0.05)
+ self.assertTrue(math.fabs(p[1])<0.1)
+
+
+
+class TestInvariantCalculator(unittest.TestCase):
+ """
+ Test main functionality of the Invariant calculator
+ """
+ def setUp(self):
+ data = Loader().load("latex_smeared_slit.xml")
+ self.data = data[0]
+ self.data.dxl = None
+
+ def test_initial_data_processing(self):
+ """
+ Test whether the background and scale are handled properly
+ when creating an InvariantCalculator object
+ """
+ length = len(self.data.x)
+ self.assertEqual(length, len(self.data.y))
+ inv = invariant.InvariantCalculator(self.data)
+
+ self.assertEqual(length, len(inv._data.x))
+ self.assertEqual(inv._data.x[0], self.data.x[0])
+
+ # Now the same thing with a background value
+ bck = 0.1
+ inv = invariant.InvariantCalculator(self.data, background=bck)
+ self.assertEqual(inv._background, bck)
+
+ self.assertEqual(length, len(inv._data.x))
+ self.assertEqual(inv._data.y[0]+bck, self.data.y[0])
+
+ # Now the same thing with a scale value
+ scale = 0.1
+ inv = invariant.InvariantCalculator(self.data, scale=scale)
+ self.assertEqual(inv._scale, scale)
+
+ self.assertEqual(length, len(inv._data.x))
+ self.assertAlmostEqual(inv._data.y[0]/scale, self.data.y[0],7)
+
+
+ def test_incompatible_data_class(self):
+ """
+ Check that only classes that inherit from Data1D are allowed as data.
+ """
+ class Incompatible():
+ pass
+ self.assertRaises(ValueError, invariant.InvariantCalculator, Incompatible())
+
+ def test_error_treatment(self):
+ x = numpy.asarray(numpy.asarray([0,1,2,3]))
+ y = numpy.asarray(numpy.asarray([1,1,1,1]))
+
+ # These are all the values of the dy array that would cause
+ # us to set all dy values to 1.0 at __init__ time.
+ dy_list = [ [], None, [0,0,0,0] ]
+
+ for dy in dy_list:
+ data = Data1D(x=x, y=y, dy=dy)
+ inv = invariant.InvariantCalculator(data)
+ self.assertEqual(len(inv._data.x), len(inv._data.dy))
+ self.assertEqual(len(inv._data.dy), 4)
+ for i in range(4):
+ self.assertEqual(inv._data.dy[i],1)
+
+ def test_qstar_low_q_guinier(self):
+ """
+ Test low-q extrapolation with a Guinier
+ """
+ inv = invariant.InvariantCalculator(self.data)
+
+ # Basic sanity check
+ _qstar = inv.get_qstar()
+ qstar, dqstar = inv.get_qstar_with_error()
+ self.assertEqual(qstar, _qstar)
+
+ # Low-Q Extrapolation
+ # Check that the returned invariant is what we expect given
+ # the result we got without extrapolation
+ inv.set_extrapolation('low', npts=10, function='guinier')
+ qs_extr, dqs_extr = inv.get_qstar_with_error('low')
+ delta_qs_extr, delta_dqs_extr = inv.get_qstar_low()
+
+ self.assertEqual(qs_extr, _qstar+delta_qs_extr)
+ self.assertEqual(dqs_extr, math.sqrt(dqstar*dqstar + delta_dqs_extr*delta_dqs_extr))
+
+ # We don't expect the extrapolated invariant to be very far from the
+ # result without extrapolation. Let's test for a result within 10%.
+ self.assertTrue(math.fabs(qs_extr-qstar)/qstar<0.1)
+
+ # Check that the two results are consistent within errors
+ # Note that the error on the extrapolated value takes into account
+ # a systematic error for the fact that we may not know the shape of I(q) at low Q.
+ self.assertTrue(math.fabs(qs_extr-qstar)<dqs_extr)
+
+ def test_qstar_low_q_power_law(self):
+ """
+ Test low-q extrapolation with a power law
+ """
+ inv = invariant.InvariantCalculator(self.data)
+
+ # Basic sanity check
+ _qstar = inv.get_qstar()
+ qstar, dqstar = inv.get_qstar_with_error()
+ self.assertEqual(qstar, _qstar)
+
+ # Low-Q Extrapolation
+ # Check that the returned invariant is what we expect given
+ inv.set_extrapolation('low', npts=10, function='power_law')
+ qs_extr, dqs_extr = inv.get_qstar_with_error('low')
+ delta_qs_extr, delta_dqs_extr = inv.get_qstar_low()
+
+ # A fit using SasView gives 0.0655 for the value of the exponent
+ self.assertAlmostEqual(inv._low_extrapolation_function.power, 0.0655, 3)
+
+ if False:
+ npts = len(inv._data.x)-1
+ import matplotlib.pyplot as plt
+ plt.loglog(inv._data.x[:npts], inv._data.y[:npts], 'o', label='Original data', markersize=10)
+ plt.loglog(inv._data.x[:npts], inv._low_extrapolation_function.evaluate_model(inv._data.x[:npts]), 'r', label='Fitted line')
+ plt.legend()
+ plt.show()
+
+ self.assertEqual(qs_extr, _qstar+delta_qs_extr)
+ self.assertAlmostEqual(dqs_extr, math.sqrt(dqstar*dqstar + delta_dqs_extr*delta_dqs_extr), 15)
+
+ # We don't expect the extrapolated invariant to be very far from the
+ # result without extrapolation. Let's test for a result within 10%.
+ self.assertTrue(math.fabs(qs_extr-qstar)/qstar<0.1)
+
+ # Check that the two results are consistent within errors
+ # Note that the error on the extrapolated value takes into account
+ # a systematic error for the fact that we may not know the shape of I(q) at low Q.
+ self.assertTrue(math.fabs(qs_extr-qstar)<dqs_extr)
+
+ def test_qstar_high_q(self):
+ """
+ Test high-q extrapolation
+ """
+ inv = invariant.InvariantCalculator(self.data)
+
+ # Basic sanity check
+ _qstar = inv.get_qstar()
+ qstar, dqstar = inv.get_qstar_with_error()
+ self.assertEqual(qstar, _qstar)
+
+ # High-Q Extrapolation
+ # Check that the returned invariant is what we expect given
+ # the result we got without extrapolation
+ inv.set_extrapolation('high', npts=20, function='power_law')
+ qs_extr, dqs_extr = inv.get_qstar_with_error('high')
+ delta_qs_extr, delta_dqs_extr = inv.get_qstar_high()
+
+ # From previous analysis using SasView, we expect an exponent of about 3
+ self.assertTrue(math.fabs(inv._high_extrapolation_function.power-3)<0.1)
+
+ self.assertEqual(qs_extr, _qstar+delta_qs_extr)
+ self.assertAlmostEqual(dqs_extr, math.sqrt(dqstar*dqstar + delta_dqs_extr*delta_dqs_extr), 10)
+
+ # We don't expect the extrapolated invariant to be very far from the
+ # result without extrapolation. Let's test for a result within 10%.
+ #TODO: verify whether this test really makes sense
+ #self.assertTrue(math.fabs(qs_extr-qstar)/qstar<0.1)
+
+ # Check that the two results are consistent within errors
+ self.assertTrue(math.fabs(qs_extr-qstar)<dqs_extr)
+
+ def test_qstar_full_q(self):
+ """
+ Test high-q extrapolation
+ """
+ inv = invariant.InvariantCalculator(self.data)
+
+ # Basic sanity check
+ _qstar = inv.get_qstar()
+ qstar, dqstar = inv.get_qstar_with_error()
+ self.assertEqual(qstar, _qstar)
+
+ # High-Q Extrapolation
+ # Check that the returned invariant is what we expect given
+ # the result we got without extrapolation
+ inv.set_extrapolation('low', npts=10, function='guinier')
+ inv.set_extrapolation('high', npts=20, function='power_law')
+ qs_extr, dqs_extr = inv.get_qstar_with_error('both')
+ delta_qs_low, delta_dqs_low = inv.get_qstar_low()
+ delta_qs_hi, delta_dqs_hi = inv.get_qstar_high()
+
+ self.assertAlmostEqual(qs_extr, _qstar+delta_qs_low+delta_qs_hi, 8)
+ self.assertAlmostEqual(dqs_extr, math.sqrt(dqstar*dqstar + delta_dqs_low*delta_dqs_low \
+ + delta_dqs_hi*delta_dqs_hi), 8)
+
+ # We don't expect the extrapolated invariant to be very far from the
+ # result without extrapolation. Let's test for a result within 10%.
+ #TODO: verify whether this test really makes sense
+ #self.assertTrue(math.fabs(qs_extr-qstar)/qstar<0.1)
+
+ # Check that the two results are consistent within errors
+ self.assertTrue(math.fabs(qs_extr-qstar)<dqs_extr)
+
+ def _check_values(to_check, reference, tolerance=0.05):
+ self.assertTrue( math.fabs(to_check-reference)/reference < tolerance, msg="Tested value = "+str(to_check) )
+
+ # The following values should be replaced by values pulled from IGOR
+ # Volume Fraction:
+ v, dv = inv.get_volume_fraction_with_error(1, None)
+ _check_values(v, 1.88737914186e-15)
+
+ v_l, dv_l = inv.get_volume_fraction_with_error(1, 'low')
+ _check_values(v_l, 1.94289029309e-15)
+
+ v_h, dv_h = inv.get_volume_fraction_with_error(1, 'high')
+ _check_values(v_h, 6.99440505514e-15)
+
+ v_b, dv_b = inv.get_volume_fraction_with_error(1, 'both')
+ _check_values(v_b, 6.99440505514e-15)
+
+ # Specific Surface:
+ s, ds = inv.get_surface_with_error(1, 1, None)
+ _check_values(s, 3.1603095786e-09)
+
+ s_l, ds_l = inv.get_surface_with_error(1, 1, 'low')
+ _check_values(s_l, 3.1603095786e-09)
+
+ s_h, ds_h = inv.get_surface_with_error(1, 1, 'high')
+ _check_values(s_h, 3.1603095786e-09)
+
+ s_b, ds_b = inv.get_surface_with_error(1, 1, 'both')
+ _check_values(s_b, 3.1603095786e-09)
+
+
+ def test_bad_parameter_name(self):
+ """
+ The set_extrapolation method checks that the name of the extrapolation
+ function and the name of the q-range to extrapolate (high/low) is
+ recognized.
+ """
+ inv = invariant.InvariantCalculator(self.data)
+ self.assertRaises(ValueError, inv.set_extrapolation, 'low', npts=4, function='not_a_name')
+ self.assertRaises(ValueError, inv.set_extrapolation, 'not_a_range', npts=4, function='guinier')
+ self.assertRaises(ValueError, inv.set_extrapolation, 'high', npts=4, function='guinier')
+
+
+class TestGuinierExtrapolation(unittest.TestCase):
+ """
+ Generate a Guinier distribution and verify that the extrapolation
+ produce the correct ditribution.
+ """
+
+ def setUp(self):
+ """
+ Generate a Guinier distribution. After extrapolating, we will
+ verify that we obtain the scale and rg parameters
+ """
+ self.scale = 1.5
+ self.rg = 30.0
+ x = numpy.arange(0.0001, 0.1, 0.0001)
+ y = numpy.asarray([self.scale * math.exp( -(q*self.rg)**2 / 3.0 ) for q in x])
+ dy = y*.1
+ self.data = Data1D(x=x, y=y, dy=dy)
+
+ def test_low_q(self):
+ """
+ Invariant with low-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='low', npts=20, function='guinier')
+
+ self.assertEqual(inv._low_extrapolation_npts, 20)
+ self.assertEqual(inv._low_extrapolation_function.__class__, invariant.Guinier)
+
+ # Data boundaries for fiiting
+ qmin = inv._data.x[0]
+ qmax = inv._data.x[inv._low_extrapolation_npts - 1]
+
+ # Extrapolate the low-Q data
+ inv._fit(model=inv._low_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._low_extrapolation_power)
+ self.assertAlmostEqual(self.scale, inv._low_extrapolation_function.scale, 6)
+ self.assertAlmostEqual(self.rg, inv._low_extrapolation_function.radius, 6)
+
+
+class TestPowerLawExtrapolation(unittest.TestCase):
+ """
+ Generate a power law distribution and verify that the extrapolation
+ produce the correct ditribution.
+ """
+
+ def setUp(self):
+ """
+ Generate a power law distribution. After extrapolating, we will
+ verify that we obtain the scale and m parameters
+ """
+ self.scale = 1.5
+ self.m = 3.0
+ x = numpy.arange(0.0001, 0.1, 0.0001)
+ y = numpy.asarray([self.scale * math.pow(q ,-1.0*self.m) for q in x])
+ dy = y*.1
+ self.data = Data1D(x=x, y=y, dy=dy)
+
+ def test_low_q(self):
+ """
+ Invariant with low-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='low', npts=20, function='power_law')
+
+ self.assertEqual(inv._low_extrapolation_npts, 20)
+ self.assertEqual(inv._low_extrapolation_function.__class__, invariant.PowerLaw)
+
+ # Data boundaries for fitting
+ qmin = inv._data.x[0]
+ qmax = inv._data.x[inv._low_extrapolation_npts - 1]
+
+ # Extrapolate the low-Q data
+ inv._fit(model=inv._low_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._low_extrapolation_power)
+
+ self.assertAlmostEqual(self.scale, inv._low_extrapolation_function.scale, 6)
+ self.assertAlmostEqual(self.m, inv._low_extrapolation_function.power, 6)
+
+class TestLinearization(unittest.TestCase):
+
+ def test_guinier_incompatible_length(self):
+ g = invariant.Guinier()
+ data_in = Data1D(x=[1], y=[1,2], dy=None)
+ self.assertRaises(AssertionError, g.linearize_data, data_in)
+ data_in = Data1D(x=[1,1], y=[1,2], dy=[1])
+ self.assertRaises(AssertionError, g.linearize_data, data_in)
+
+ def test_linearization(self):
+ """
+ Check that the linearization process filters out points
+ that can't be transformed
+ """
+ x = numpy.asarray(numpy.asarray([0,1,2,3]))
+ y = numpy.asarray(numpy.asarray([1,1,1,1]))
+ g = invariant.Guinier()
+ data_in = Data1D(x=x, y=y)
+ data_out = g.linearize_data(data_in)
+ x_out, y_out, dy_out = data_out.x, data_out.y, data_out.dy
+ self.assertEqual(len(x_out), 3)
+ self.assertEqual(len(y_out), 3)
+ self.assertEqual(len(dy_out), 3)
+
+ def test_allowed_bins(self):
+ x = numpy.asarray(numpy.asarray([0,1,2,3]))
+ y = numpy.asarray(numpy.asarray([1,1,1,1]))
+ dy = numpy.asarray(numpy.asarray([1,1,1,1]))
+ g = invariant.Guinier()
+ data = Data1D(x=x, y=y, dy=dy)
+ self.assertEqual(g.get_allowed_bins(data), [False, True, True, True])
+
+ data = Data1D(x=y, y=x, dy=dy)
+ self.assertEqual(g.get_allowed_bins(data), [False, True, True, True])
+
+ data = Data1D(x=dy, y=y, dy=x)
+ self.assertEqual(g.get_allowed_bins(data), [False, True, True, True])
+
+class TestDataExtraLow(unittest.TestCase):
+ """
+ Generate a Guinier distribution and verify that the extrapolation
+ produce the correct ditribution. Tested if the data generated by the
+ invariant calculator is correct
+ """
+
+ def setUp(self):
+ """
+ Generate a Guinier distribution. After extrapolating, we will
+ verify that we obtain the scale and rg parameters
+ """
+ self.scale = 1.5
+ self.rg = 30.0
+ x = numpy.arange(0.0001, 0.1, 0.0001)
+ y = numpy.asarray([self.scale * math.exp( -(q*self.rg)**2 / 3.0 ) for q in x])
+ dy = y*.1
+ self.data = Data1D(x=x, y=y, dy=dy)
+
+ def test_low_q(self):
+ """
+ Invariant with low-Q extrapolation with no slit smear
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='low', npts=10, function='guinier')
+
+ self.assertEqual(inv._low_extrapolation_npts, 10)
+ self.assertEqual(inv._low_extrapolation_function.__class__, invariant.Guinier)
+
+ # Data boundaries for fiiting
+ qmin = inv._data.x[0]
+ qmax = inv._data.x[inv._low_extrapolation_npts - 1]
+
+ # Extrapolate the low-Q data
+ inv._fit(model=inv._low_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._low_extrapolation_power)
+ self.assertAlmostEqual(self.scale, inv._low_extrapolation_function.scale, 6)
+ self.assertAlmostEqual(self.rg, inv._low_extrapolation_function.radius, 6)
+
+ qstar = inv.get_qstar(extrapolation='low')
+ test_y = inv._low_extrapolation_function.evaluate_model(x=self.data.x)
+ for i in range(len(self.data.x)):
+ value = math.fabs(test_y[i]-self.data.y[i])/self.data.y[i]
+ self.assert_(value < 0.001)
+
+class TestDataExtraLowSlitGuinier(unittest.TestCase):
+ """
+ for a smear data, test that the fitting go through
+ real data for atleast the 2 first points
+ """
+
+ def setUp(self):
+ """
+ Generate a Guinier distribution. After extrapolating, we will
+ verify that we obtain the scale and rg parameters
+ """
+ self.scale = 1.5
+ self.rg = 30.0
+ x = numpy.arange(0.0001, 0.1, 0.0001)
+ y = numpy.asarray([self.scale * math.exp( -(q*self.rg)**2 / 3.0 ) for q in x])
+ dy = y*.1
+ self.data = Data1D(x=x, y=y, dy=dy)
+ self.npts = len(x)-10
+
+ def test_low_q(self):
+ """
+ Invariant with low-Q extrapolation with slit smear
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='low', npts=self.npts, function='guinier')
+
+ self.assertEqual(inv._low_extrapolation_npts, self.npts)
+ self.assertEqual(inv._low_extrapolation_function.__class__, invariant.Guinier)
+
+ # Data boundaries for fiiting
+ qmin = inv._data.x[0]
+ qmax = inv._data.x[inv._low_extrapolation_npts - 1]
+
+ # Extrapolate the low-Q data
+ inv._fit(model=inv._low_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._low_extrapolation_power)
+
+
+ qstar = inv.get_qstar(extrapolation='low')
+
+ test_y = inv._low_extrapolation_function.evaluate_model(x=self.data.x[:inv._low_extrapolation_npts])
+ self.assert_(len(test_y) == len(self.data.y[:inv._low_extrapolation_npts]))
+
+ for i in range(inv._low_extrapolation_npts):
+ value = math.fabs(test_y[i]-self.data.y[i])/self.data.y[i]
+ self.assert_(value < 0.001)
+
+ def test_low_data(self):
+ """
+ Invariant with low-Q extrapolation with slit smear
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='low', npts=self.npts, function='guinier')
+
+ self.assertEqual(inv._low_extrapolation_npts, self.npts)
+ self.assertEqual(inv._low_extrapolation_function.__class__, invariant.Guinier)
+
+ # Data boundaries for fiiting
+ qmin = inv._data.x[0]
+ qmax = inv._data.x[inv._low_extrapolation_npts - 1]
+
+ # Extrapolate the low-Q data
+ inv._fit(model=inv._low_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._low_extrapolation_power)
+
+
+ qstar = inv.get_qstar(extrapolation='low')
+ #Compution the y 's coming out of the invariant when computing extrapolated
+ #low data . expect the fit engine to have been already called and the guinier
+ # to have the radius and the scale fitted
+ data_in_range = inv.get_extra_data_low(q_start=self.data.x[0],
+ npts = inv._low_extrapolation_npts)
+ test_y = data_in_range.y
+ self.assert_(len(test_y) == len(self.data.y[:inv._low_extrapolation_npts]))
+ for i in range(inv._low_extrapolation_npts):
+ value = math.fabs(test_y[i]-self.data.y[i])/self.data.y[i]
+ self.assert_(value < 0.001)
+
+
+class TestDataExtraHighSlitPowerLaw(unittest.TestCase):
+ """
+ for a smear data, test that the fitting go through
+ real data for atleast the 2 first points
+ """
+
+ def setUp(self):
+ """
+ Generate a Guinier distribution. After extrapolating, we will
+ verify that we obtain the scale and rg parameters
+ """
+ self.scale = 1.5
+ self.m = 3.0
+ x = numpy.arange(0.0001, 0.1, 0.0001)
+ y = numpy.asarray([self.scale * math.pow(q ,-1.0*self.m) for q in x])
+ dy = y*.1
+ self.data = Data1D(x=x, y=y, dy=dy)
+ self.npts = 20
+
+ def test_high_q(self):
+ """
+ Invariant with high-Q extrapolation with slit smear
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='high', npts=self.npts, function='power_law')
+
+ self.assertEqual(inv._high_extrapolation_npts, self.npts)
+ self.assertEqual(inv._high_extrapolation_function.__class__, invariant.PowerLaw)
+
+ # Data boundaries for fiiting
+ xlen = len(self.data.x)
+ start = xlen - inv._high_extrapolation_npts
+ qmin = inv._data.x[start]
+ qmax = inv._data.x[xlen-1]
+
+ # Extrapolate the high-Q data
+ inv._fit(model=inv._high_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._high_extrapolation_power)
+
+
+ qstar = inv.get_qstar(extrapolation='high')
+
+ test_y = inv._high_extrapolation_function.evaluate_model(x=self.data.x[start: ])
+ self.assert_(len(test_y) == len(self.data.y[start:]))
+
+ for i in range(len(self.data.x[start:])):
+ value = math.fabs(test_y[i]-self.data.y[start+i])/self.data.y[start+i]
+ self.assert_(value < 0.001)
+
+ def test_high_data(self):
+ """
+ Invariant with low-Q extrapolation with slit smear
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='high', npts=self.npts, function='power_law')
+
+ self.assertEqual(inv._high_extrapolation_npts, self.npts)
+ self.assertEqual(inv._high_extrapolation_function.__class__, invariant.PowerLaw)
+
+ # Data boundaries for fiiting
+ xlen = len(self.data.x)
+ start = xlen - inv._high_extrapolation_npts
+ qmin = inv._data.x[start]
+ qmax = inv._data.x[xlen-1]
+
+ # Extrapolate the high-Q data
+ inv._fit(model=inv._high_extrapolation_function,
+ qmin=qmin,
+ qmax=qmax,
+ power=inv._high_extrapolation_power)
+
+ qstar = inv.get_qstar(extrapolation='high')
+
+ data_in_range= inv.get_extra_data_high(q_end = max(self.data.x),
+ npts = inv._high_extrapolation_npts)
+ test_y = data_in_range.y
+ self.assert_(len(test_y) == len(self.data.y[start:]))
+ temp = self.data.y[start:]
+
+ for i in range(len(self.data.x[start:])):
+ value = math.fabs(test_y[i]- temp[i])/temp[i]
+ self.assert_(value < 0.001)
+
\ No newline at end of file
diff --git a/test/sasinvariant/test/utest_use_cases.py b/test/sasinvariant/test/utest_use_cases.py
new file mode 100644
index 0000000..bb2af5c
--- /dev/null
+++ b/test/sasinvariant/test/utest_use_cases.py
@@ -0,0 +1,378 @@
+"""
+ Implementation of the use-case from a usage perspective.
+
+"""
+#TODO: there's no test for smeared extrapolation
+import unittest
+import numpy
+from sas.sascalc.dataloader.loader import Loader
+
+from sas.sascalc.invariant import invariant
+
+class Data1D:
+ pass
+
+class TestLineFit(unittest.TestCase):
+ """
+ Test Line fit
+ """
+ def setUp(self):
+ self.data = Loader().load("linefittest.txt")
+
+ def test_fit_line_data(self):
+ """
+ Fit_Test_1: test linear fit, ax +b, without fixed
+ """
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+
+ ##Without holding
+ p, dp = fit.fit(power=None)
+
+ # Test results
+ self.assertAlmostEquals(p[0], 2.3983,3)
+ self.assertAlmostEquals(p[1], 0.87833,3)
+
+
+ def test_fit_line_data_fixed(self):
+ """
+ Fit_Test_2: test linear fit, ax +b, with 'a' fixed
+ """
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+
+ #With holding a = -power =4
+ p, dp = fit.fit(power=-4)
+
+ # Test results
+ self.assertAlmostEquals(p[0], 4)
+ self.assertAlmostEquals(p[1], -4.0676,3)
+
+class TestLineFitNoweight(unittest.TestCase):
+ """
+ Test Line fit without weight(dy data)
+ """
+ def setUp(self):
+ self.data = Loader().load("linefittest_no_weight.txt")
+
+ def skip_test_fit_line_data_no_weight(self):
+ """
+ Fit_Test_1: test linear fit, ax +b, without fixed
+ """
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+
+ ##Without holding
+ p, dp = fit.fit(power=None)
+
+ # Test results
+ self.assertAlmostEquals(p[0], 2.4727,3)
+ self.assertAlmostEquals(p[1], 0.6,3)
+
+
+ def test_fit_line_data_fixed_no_weight(self):
+ """
+ Fit_Test_2: test linear fit, ax +b, with 'a' fixed
+ """
+
+ # Create invariant object. Background and scale left as defaults.
+ fit = invariant.Extrapolator(data=self.data)
+
+ #With holding a = -power =4
+ p, dp = fit.fit(power=-4)
+
+ # Test results
+ self.assertAlmostEquals(p[0], 4)
+ self.assertAlmostEquals(p[1], -7.8,3)
+
+class TestInvPolySphere(unittest.TestCase):
+ """
+ Test unsmeared data for invariant computation
+ """
+ def setUp(self):
+ self.data = Loader().load("PolySpheres.txt")
+
+ def test_wrong_data(self):
+ """ test receiving Data1D not of type loader"""
+
+
+ self.assertRaises(ValueError,invariant.InvariantCalculator, Data1D())
+
+ def test_use_case_1(self):
+ """
+ Invariant without extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+
+ # We have to be able to tell the InvariantCalculator whether we want the
+ # extrapolation or not. By default, when the user doesn't specify, we
+ # should compute Q* without extrapolation. That's what should be done in __init__.
+
+ # We call get_qstar() with no argument, which signifies that we do NOT
+ # want extrapolation.
+ qstar = inv.get_qstar()
+
+ # The volume fraction and surface use Q*. That means that the following
+ # methods should check that Q* has been computed. If not, it should
+ # compute it by calling get_qstare(), leaving the parameters as default.
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 7.48959e-5,2)
+ self.assertAlmostEquals(v, 0.005644689, 4)
+ self.assertAlmostEquals(s , 941.7452, 3)
+
+ def test_use_case_2(self):
+ """
+ Invariant without extrapolation. Invariant, volume fraction and surface
+ are given with errors.
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+
+ # Get the invariant with errors
+ qstar, qstar_err = inv.get_qstar_with_error()
+
+ # The volume fraction and surface use Q*. That means that the following
+ # methods should check that Q* has been computed. If not, it should
+ # compute it by calling get_qstare(), leaving the parameters as default.
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+ # Test results
+ self.assertAlmostEquals(qstar, 7.48959e-5,2)
+ self.assertAlmostEquals(v, 0.005644689, 1)
+ self.assertAlmostEquals(s , 941.7452, 3)
+
+
+ def test_use_case_3(self):
+ """
+ Invariant with low-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+
+ # Set the extrapolation parameters for the low-Q range
+
+ # The npts parameter should have a good default.
+ # The range parameter should be 'high' or 'low'
+ # The function parameter should default to None. If it is None,
+ # the method should pick a good default (Guinier at low-Q and 1/q^4 at high-Q).
+ # The method should also check for consistency of the extrapolation and function
+ # parameters. For instance, you might not want to allow 'high' and 'guinier'.
+ # The power parameter (not shown below) should default to 4.
+ inv.set_extrapolation(range='low', npts=10, function='guinier')
+
+ # The version of the call without error
+ # At this point, we could still compute Q* without extrapolation by calling
+ # get_qstar with arguments, or with extrapolation=None.
+ qstar = inv.get_qstar(extrapolation='low')
+
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='low')
+
+ # Get the volume fraction and surface
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 7.49e-5, 1)
+ self.assertAlmostEquals(v, 0.005648401, 4)
+ self.assertAlmostEquals(s , 941.7452, 3)
+
+ def test_use_case_4(self):
+ """
+ Invariant with high-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+
+ # Set the extrapolation parameters for the high-Q range
+ inv.set_extrapolation(range='high', npts=10, function='power_law', power=4)
+
+ # The version of the call without error
+ # The function parameter defaults to None, then is picked to be 'power_law' for extrapolation='high'
+ qstar = inv.get_qstar(extrapolation='high')
+
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='high')
+
+ # Get the volume fraction and surface
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 7.49e-5,2)
+ self.assertAlmostEquals(v, 0.005952674, 3)
+ self.assertAlmostEquals(s , 941.7452, 3)
+
+ def test_use_case_5(self):
+ """
+ Invariant with both high- and low-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+
+ # Set the extrapolation parameters for the low- and high-Q ranges
+ inv.set_extrapolation(range='low', npts=10, function='guinier')
+ inv.set_extrapolation(range='high', npts=10, function='power_law', power=4)
+
+ # The version of the call without error
+ # The function parameter defaults to None, then is picked to be 'power_law' for extrapolation='high'
+ qstar = inv.get_qstar(extrapolation='both')
+
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='both')
+
+ # Get the volume fraction and surface
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 7.88981e-5,2)
+ self.assertAlmostEquals(v, 0.005952674, 3)
+ self.assertAlmostEquals(s , 941.7452, 3)
+
+ def test_use_case_6(self):
+ """
+ Invariant with high-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data)
+
+ # Set the extrapolation parameters for the high-Q range
+ inv.set_extrapolation(range='low', npts=10, function='power_law', power=4)
+
+ # The version of the call without error
+ # The function parameter defaults to None, then is picked to be 'power_law' for extrapolation='high'
+ qstar = inv.get_qstar(extrapolation='low')
+
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='low')
+
+ # Get the volume fraction and surface
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 7.49e-5,2)
+ self.assertAlmostEquals(v, 0.005952674, 3)
+ self.assertAlmostEquals(s , 941.7452, 3)
+
+class TestInvPinholeSmear(unittest.TestCase):
+ """
+ Test pinhole smeared data for invariant computation
+ """
+ def setUp(self):
+ # data with smear info
+ list = Loader().load("latex_smeared.xml")
+ self.data_q_smear = list[0]
+
+ def test_use_case_1(self):
+ """
+ Invariant without extrapolation
+ """
+ inv = invariant.InvariantCalculator(data=self.data_q_smear)
+ qstar = inv.get_qstar()
+
+ v = inv.get_volume_fraction(contrast=2.6e-6)
+ s = inv.get_surface(contrast=2.6e-6, porod_const=2)
+ # Test results
+ self.assertAlmostEquals(qstar, 1.361677e-3, 4)
+ self.assertAlmostEquals(v, 0.115352622, 2)
+ self.assertAlmostEquals(s , 941.7452, 3 )
+
+ def test_use_case_2(self):
+ """
+ Invariant without extrapolation. Invariant, volume fraction and surface
+ are given with errors.
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data_q_smear)
+
+ # Get the invariant with errors
+ qstar, qstar_err = inv.get_qstar_with_error()
+ # Get the volume fraction and surface
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+ # Test results
+ self.assertAlmostEquals(qstar, 1.361677e-3, 4)
+ self.assertAlmostEquals(v, 0.115352622, 2)
+ self.assertAlmostEquals(s , 941.7452, 3 )
+
+ def test_use_case_3(self):
+ """
+ Invariant with low-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data_q_smear)
+ # Set the extrapolation parameters for the low-Q range
+ inv.set_extrapolation(range='low', npts=20, function='guinier')
+ # The version of the call without error
+ qstar = inv.get_qstar(extrapolation='low')
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='low')
+ # Get the volume fraction and surface
+ v, dv = inv.get_volume_fraction_with_error(contrast=2.6e-6)
+ s, ds = inv.get_surface_with_error(contrast=2.6e-6, porod_const=2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 0.00138756,2)
+ self.assertAlmostEquals(v, 0.117226896,2)
+ self.assertAlmostEquals(s ,941.7452, 3)
+
+ def test_use_case_4(self):
+ """
+ Invariant with high-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data_q_smear)
+ # Set the extrapolation parameters for the high-Q range
+ inv.set_extrapolation(range='high', npts=10, function='power_law', power=4)
+ # The version of the call without error
+ qstar = inv.get_qstar(extrapolation='high')
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='high')
+
+ # Get the volume fraction and surface
+ # WHY SHOULD THIS FAIL?
+ #self.assertRaises(RuntimeError, inv.get_volume_fraction_with_error, 2.6e-6)
+
+ # Check that an exception is raised when the 'surface' is not defined
+ # WHY SHOULD THIS FAIL?
+ #self.assertRaises(RuntimeError, inv.get_surface_with_error, 2.6e-6, 2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 0.0045773,2)
+
+ def test_use_case_5(self):
+ """
+ Invariant with both high- and low-Q extrapolation
+ """
+ # Create invariant object. Background and scale left as defaults.
+ inv = invariant.InvariantCalculator(data=self.data_q_smear)
+ # Set the extrapolation parameters for the low- and high-Q ranges
+ inv.set_extrapolation(range='low', npts=10, function='guinier')
+ inv.set_extrapolation(range='high', npts=10, function='power_law', power=4)
+ # The version of the call without error
+ # The function parameter defaults to None, then is picked to be 'power_law' for extrapolation='high'
+ qstar = inv.get_qstar(extrapolation='both')
+ # The version of the call with error
+ qstar, qstar_err = inv.get_qstar_with_error(extrapolation='both')
+
+ # Get the volume fraction and surface
+ # WHY SHOULD THIS FAIL?
+ #self.assertRaises(RuntimeError, inv.get_volume_fraction_with_error, 2.6e-6)
+ #self.assertRaises(RuntimeError, inv.get_surface_with_error, 2.6e-6, 2)
+
+ # Test results
+ self.assertAlmostEquals(qstar, 0.00460319,3)
+
+
+if __name__ == '__main__':
+ unittest.main(testRunner=unittest.TextTestRunner(verbosity=2))
+
diff --git a/test/sasrealspace/test/coreshell_d=0.01_Iq.txt b/test/sasrealspace/test/coreshell_d=0.01_Iq.txt
new file mode 100644
index 0000000..a05ba1a
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=0.01_Iq.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 9.78363e+006 1.51638e+009
+0.0213878 1.12037e+008 6.28976e+007 1.78903e+010
+0.0417755 1.5392e+009 1.69459e+009 4.9295e+010
+0.0621633 6.85689e+009 1.68046e+010 1.20691e+011
+0.082551 1.86312e+010 2.72164e+009 4.8322e+010
+0.102939 3.77797e+010 4.99703e+010 2.56606e+011
+0.123327 6.25086e+010 5.49159e+010 3.08699e+011
+0.143714 8.83525e+010 5.79293e+010 3.03282e+011
+0.164102 1.09375e+011 6.81951e+010 3.68556e+011
+0.18449 1.20102e+011 9.11503e+010 3.94774e+011
+0.204878 1.17429e+011 7.5517e+010 3.66396e+011
+0.225265 1.01772e+011 7.55982e+010 3.57809e+011
+0.245653 7.69907e+010 6.76884e+010 3.33057e+011
+0.266041 4.91381e+010 5.46391e+010 3.059e+011
+0.286429 2.4505e+010 2.91311e+010 2.09596e+011
+0.306816 7.70105e+009 1.50421e+010 1.55602e+011
+0.327204 4.46446e+008 7.73594e+009 1.16253e+011
+0.347592 1.44323e+009 6.61388e+009 1.09883e+011
+0.36798 7.26659e+009 2.67697e+010 2.10412e+011
+0.388367 1.38447e+010 6.69746e+009 1.06623e+011
+0.408755 1.79268e+010 3.57793e+010 2.45747e+011
+0.429143 1.80167e+010 1.74915e+010 1.64273e+011
+0.449531 1.45166e+010 4.17646e+010 2.77463e+011
+0.469918 9.15928e+009 1.74956e+010 1.65486e+011
+0.490306 4.06238e+009 1.68219e+010 1.68458e+011
+0.510694 8.28382e+008 1.17877e+010 1.43717e+011
+0.531082 2.58879e+007 1.31559e+010 1.47206e+011
+0.551469 1.17967e+009 3.78552e+010 2.485e+011
+0.571857 3.17457e+009 1.55803e+009 5.10627e+010
+0.592245 4.83142e+009 4.67277e+008 2.68516e+010
+0.612633 5.38985e+009 9.99761e+009 1.34718e+011
+0.63302 4.72163e+009 1.66971e+010 1.63231e+011
+0.653408 3.24255e+009 1.72664e+010 1.69255e+011
+0.673796 1.62119e+009 1.31521e+009 4.73275e+010
+0.694184 4.47037e+008 5.66857e+009 9.38055e+010
+0.714571 4.15178e+006 2.84074e+006 2.15692e+009
+0.734959 2.21749e+008 1.87719e+009 5.37223e+010
+0.755347 7.83703e+008 8.17585e+008 3.53672e+010
+0.775735 1.31559e+009 8.3075e+009 1.18316e+011
+0.796122 1.55288e+009 4.67401e+009 8.6085e+010
+0.81651 1.42344e+009 7.90246e+009 1.1491e+011
+0.836898 1.02948e+009 1.32814e+010 1.49737e+011
+0.857286 5.60678e+008 1.64135e+009 5.14098e+010
+0.877673 1.92343e+008 2.57106e+010 1.95691e+011
+0.898061 1.59082e+007 1.28795e+009 4.60586e+010
+0.918449 2.32131e+007 8.75344e+009 1.21031e+011
+0.938837 1.3713e+008 5.01801e+009 9.18403e+010
+0.959224 2.62821e+008 9.89061e+008 3.77781e+010
+0.979612 3.31767e+008 8.83918e+009 1.23905e+011
+1 3.21634e+008 1.11387e+010 1.3461e+011
diff --git a/test/sasrealspace/test/coreshell_d=0.01_Iq2D.txt b/test/sasrealspace/test/coreshell_d=0.01_Iq2D.txt
new file mode 100644
index 0000000..5f4c854
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=0.01_Iq2D.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 1.21638e+008 1.2016e+009
+0.0213878 1.12037e+008 1.2839e+009 1.59299e+010
+0.0417755 1.5392e+009 3.93595e+009 7.8457e+010
+0.0621633 6.85689e+009 5.88314e+009 5.73483e+010
+0.082551 1.86312e+010 1.98724e+010 1.35924e+011
+0.102939 3.77797e+010 3.44297e+010 2.06274e+011
+0.123327 6.25086e+010 6.59725e+010 3.26031e+011
+0.143714 8.83525e+010 8.7311e+010 4.15349e+011
+0.164102 1.09375e+011 1.09368e+011 4.35735e+011
+0.18449 1.20102e+011 1.19377e+011 4.69383e+011
+0.204878 1.17429e+011 1.53161e+011 4.83084e+011
+0.225265 1.01772e+011 1.46379e+011 4.89614e+011
+0.245653 7.69907e+010 9.38531e+010 3.94462e+011
+0.266041 4.91381e+010 4.74658e+010 2.91893e+011
+0.286429 2.4505e+010 3.21805e+010 2.38203e+011
+0.306816 7.70105e+009 2.36014e+010 1.97419e+011
+0.327204 4.46446e+008 1.07878e+009 4.06772e+010
+0.347592 1.44323e+009 6.93473e+009 1.02155e+011
+0.36798 7.26659e+009 3.49299e+009 7.28129e+010
+0.388367 1.38447e+010 3.30173e+009 7.40374e+010
+0.408755 1.79268e+010 1.39599e+009 4.57608e+010
+0.429143 1.80167e+010 4.60742e+010 2.8027e+011
+0.449531 1.45166e+010 1.72552e+010 1.69762e+011
+0.469918 9.15928e+009 3.05415e+009 6.99179e+010
+0.490306 4.06238e+009 5.27682e+009 9.70532e+010
+0.510694 8.28382e+008 2.06999e+010 1.83338e+011
+0.531082 2.58879e+007 3.40593e+009 7.47703e+010
+0.551469 1.17967e+009 3.18486e+008 2.27763e+010
+0.571857 3.17457e+009 1.49177e+010 1.60638e+011
+0.592245 4.83142e+009 6.36589e+008 3.27628e+010
+0.612633 5.38985e+009 1.05704e+010 1.30789e+011
+0.63302 4.72163e+009 3.47806e+009 7.35678e+010
+0.653408 3.24255e+009 1.51278e+010 1.5752e+011
+0.673796 1.62119e+009 1.49976e+009 4.91816e+010
+0.694184 4.47037e+008 5.02124e+009 9.0916e+010
+0.714571 4.15178e+006 7.49138e+008 3.53079e+010
+0.734959 2.21749e+008 9.49262e+008 4.19363e+010
+0.755347 7.83703e+008 2.54424e+008 2.09059e+010
+0.775735 1.31559e+009 1.64014e+010 1.63377e+011
+0.796122 1.55288e+009 2.75212e+009 6.93338e+010
+0.81651 1.42344e+009 1.74937e+010 1.58982e+011
+0.836898 1.02948e+009 6.4384e+009 1.00077e+011
+0.857286 5.60678e+008 2.88601e+009 6.78735e+010
+0.877673 1.92343e+008 1.37891e+010 1.48133e+011
+0.898061 1.59082e+007 2.32365e+009 6.28421e+010
+0.918449 2.32131e+007 3.88396e+009 7.84832e+010
+0.938837 1.3713e+008 2.61822e+008 1.96818e+010
+0.959224 2.62821e+008 5.22131e+009 9.49729e+010
+0.979612 3.31767e+008 7.55844e+009 1.10645e+011
+1 3.21634e+008 3.78722e+009 7.73818e+010
diff --git a/test/sasrealspace/test/coreshell_d=0.1_Iq.txt b/test/sasrealspace/test/coreshell_d=0.1_Iq.txt
new file mode 100644
index 0000000..476f6d9
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=0.1_Iq.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 -7.27421e+008 1.37292e+009
+0.0213878 1.12037e+008 -6.32851e+008 1.34853e+009
+0.0417755 1.5392e+009 7.67197e+008 1.28774e+009
+0.0621633 6.85689e+009 6.09968e+009 1.20977e+009
+0.082551 1.86312e+010 1.7983e+010 1.13673e+009
+0.102939 3.77797e+010 3.73566e+010 1.08398e+009
+0.123327 6.25086e+010 6.23996e+010 1.05461e+009
+0.143714 8.83525e+010 8.85733e+010 1.0418e+009
+0.164102 1.09375e+011 1.09848e+011 1.03577e+009
+0.18449 1.20102e+011 1.20672e+011 1.02889e+009
+0.204878 1.17429e+011 1.17916e+011 1.01729e+009
+0.225265 1.01772e+011 1.02032e+011 1.00024e+009
+0.245653 7.69907e+010 7.69709e+010 9.79426e+008
+0.266041 4.91381e+010 4.88967e+010 9.58013e+008
+0.286429 2.4505e+010 2.41902e+010 9.39492e+008
+0.306816 7.70105e+009 7.49699e+009 9.26413e+008
+0.327204 4.46446e+008 5.06758e+008 9.1963e+008
+0.347592 1.44323e+009 1.83859e+009 9.18199e+008
+0.36798 7.26659e+009 7.96467e+009 9.19939e+008
+0.388367 1.38447e+010 1.47281e+010 9.22303e+008
+0.408755 1.79268e+010 1.88388e+010 9.23283e+008
+0.429143 1.80167e+010 1.88151e+010 9.21956e+008
+0.449531 1.45166e+010 1.51141e+010 9.18572e+008
+0.469918 9.15928e+009 9.5374e+009 9.14181e+008
+0.490306 4.06238e+009 4.25686e+009 9.10058e+008
+0.510694 8.28382e+008 8.98016e+008 9.0716e+008
+0.531082 2.58879e+007 2.04037e+007 9.05812e+008
+0.551469 1.17967e+009 1.12139e+009 9.05703e+008
+0.571857 3.17457e+009 3.05995e+009 9.06142e+008
+0.592245 4.83142e+009 4.64842e+009 9.06414e+008
+0.612633 5.38985e+009 5.13989e+009 9.06068e+008
+0.63302 4.72163e+009 4.43349e+009 9.05041e+008
+0.653408 3.24255e+009 2.97061e+009 9.0359e+008
+0.673796 1.62119e+009 1.42853e+009 9.02118e+008
+0.694184 4.47037e+008 3.81628e+008 9.00963e+008
+0.714571 4.15178e+006 7.92793e+007 9.00274e+008
+0.734959 2.21749e+008 4.09993e+008 8.9998e+008
+0.755347 7.83703e+008 1.02708e+009 8.99873e+008
+0.775735 1.31559e+009 1.54726e+009 8.99722e+008
+0.796122 1.55288e+009 1.72101e+009 8.99377e+008
+0.81651 1.42344e+009 1.50737e+009 8.98811e+008
+0.836898 1.02948e+009 1.0424e+009 8.98107e+008
+0.857286 5.60678e+008 5.39156e+008 8.97389e+008
+0.877673 1.92343e+008 1.78489e+008 8.96765e+008
+0.898061 1.59082e+007 4.03444e+007 8.9628e+008
+0.918449 2.32131e+007 9.55129e+007 8.95919e+008
+0.938837 1.3713e+008 2.4636e+008 8.95622e+008
+0.959224 2.62821e+008 3.86108e+008 8.95324e+008
+0.979612 3.31767e+008 4.45768e+008 8.94984e+008
+1 3.21634e+008 4.11445e+008 8.94592e+008
diff --git a/test/sasrealspace/test/coreshell_d=0.1_Iq2D.txt b/test/sasrealspace/test/coreshell_d=0.1_Iq2D.txt
new file mode 100644
index 0000000..c84219b
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=0.1_Iq2D.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 6.9305e+006 6.35698e+006
+0.0213878 1.12037e+008 1.68978e+008 3.70253e+008
+0.0417755 1.5392e+009 1.07256e+009 2.0699e+009
+0.0621633 6.85689e+009 3.87464e+009 5.10377e+009
+0.082551 1.86312e+010 1.90073e+010 1.22829e+010
+0.102939 3.77797e+010 3.87483e+010 2.21376e+010
+0.123327 6.25086e+010 6.47701e+010 3.26543e+010
+0.143714 8.83525e+010 9.2365e+010 4.20165e+010
+0.164102 1.09375e+011 1.01115e+011 4.31731e+010
+0.18449 1.20102e+011 1.00671e+011 4.34356e+010
+0.204878 1.17429e+011 1.30585e+011 4.69878e+010
+0.225265 1.01772e+011 1.15828e+011 4.29907e+010
+0.245653 7.69907e+010 6.55518e+010 3.18003e+010
+0.266041 4.91381e+010 4.86895e+010 2.84409e+010
+0.286429 2.4505e+010 2.54433e+010 2.05071e+010
+0.306816 7.70105e+009 3.90553e+009 8.0109e+009
+0.327204 4.46446e+008 1.80111e+009 5.47593e+009
+0.347592 1.44323e+009 2.19471e+009 5.98723e+009
+0.36798 7.26659e+009 1.60673e+010 1.60877e+010
+0.388367 1.38447e+010 8.31296e+009 1.19335e+010
+0.408755 1.79268e+010 1.87001e+010 1.7552e+010
+0.429143 1.80167e+010 1.53246e+010 1.5979e+010
+0.449531 1.45166e+010 8.46704e+009 1.19446e+010
+0.469918 9.15928e+009 1.00565e+010 1.31606e+010
+0.490306 4.06238e+009 6.87222e+009 1.07643e+010
+0.510694 8.28382e+008 1.84683e+009 5.53302e+009
+0.531082 2.58879e+007 4.88396e+009 8.81205e+009
+0.551469 1.17967e+009 1.42076e+009 4.90195e+009
+0.571857 3.17457e+009 1.04674e+009 4.10931e+009
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diff --git a/test/sasrealspace/test/coreshell_d=10_Iq2D.txt b/test/sasrealspace/test/coreshell_d=10_Iq2D.txt
new file mode 100644
index 0000000..cbde42d
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=10_Iq2D.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 1.8291e+006 11016.1
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+1 3.21634e+008 2.75996e+008 2.13277e+007
diff --git a/test/sasrealspace/test/coreshell_d=20_Iq2D.txt b/test/sasrealspace/test/coreshell_d=20_Iq2D.txt
new file mode 100644
index 0000000..8278616
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=20_Iq2D.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 1.15222e+006 5725.74
+0.0213878 1.12037e+008 1.22579e+008 972912
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+1 3.21634e+008 2.61916e+008 1.03893e+007
diff --git a/test/sasrealspace/test/coreshell_d=5_Iq2D.txt b/test/sasrealspace/test/coreshell_d=5_Iq2D.txt
new file mode 100644
index 0000000..9172b7a
--- /dev/null
+++ b/test/sasrealspace/test/coreshell_d=5_Iq2D.txt
@@ -0,0 +1,52 @@
+PARS: {'core_sld': 1.0, 'thickness': 5, 'solvent_sld': 0.0, 'scale': 1.0, 'radius': 15, 'background': 0.0, 'shell_sld': -0.7297297297297296}
+<q> <ana> <sim> <err>
+0.001 546.461 47787.2 18653.3
+0.0213878 1.12037e+008 6.52179e+007 1.3764e+006
+0.0417755 1.5392e+009 1.44223e+009 2.21783e+007
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diff --git a/test/sasrealspace/test/cylinder_d=0.1_Iq.txt b/test/sasrealspace/test/cylinder_d=0.1_Iq.txt
new file mode 100644
index 0000000..80858ad
--- /dev/null
+++ b/test/sasrealspace/test/cylinder_d=0.1_Iq.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'length': 100, 'radius': 20, 'background': 0.0, 'cyl_theta': 1.0, 'contrast': 1.0, 'cyl_phi': 1.0}
+<q> <ana> <sim> <err>
+0.001 1.2562e+013 1.25607e+013 3.67864e+009
+0.0217917 1.06945e+013 1.0691e+013 3.21973e+009
+0.0425833 6.98848e+012 6.98558e+012 2.39648e+009
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diff --git a/test/sasrealspace/test/cylinder_d=0.5_Iq2D.txt b/test/sasrealspace/test/cylinder_d=0.5_Iq2D.txt
new file mode 100644
index 0000000..87c35a5
--- /dev/null
+++ b/test/sasrealspace/test/cylinder_d=0.5_Iq2D.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'length': 100, 'radius': 20, 'background': 0.0, 'cyl_theta': 1.5707963267948966, 'contrast': 1.0, 'cyl_phi': 1.5707963267948966}
+<q> <ana> <sim> <err>
+0.001 1.25586e+013 1.25584e+013 5.24372e+008
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+0.0175833 1.0341e+013 1.03444e+013 3.11005e+010
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+0.0839167 1.17674e+011 1.26397e+011 9.39118e+009
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+0.2 3.43293e+010 3.93938e+010 5.56512e+009
diff --git a/test/sasrealspace/test/cylinder_d=1_Iq2D.txt b/test/sasrealspace/test/cylinder_d=1_Iq2D.txt
new file mode 100644
index 0000000..653d3d6
--- /dev/null
+++ b/test/sasrealspace/test/cylinder_d=1_Iq2D.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'length': 100, 'radius': 20, 'background': 0.0, 'cyl_theta': 1.0, 'contrast': 1.0, 'cyl_phi': 1.0}
+<q> <ana> <sim> <err>
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+0.175125 6.83196e+010 6.62813e+010 3.62839e+009
+0.183417 7.03999e+010 7.04295e+010 3.76065e+009
+0.191708 5.61199e+010 5.71321e+010 3.38173e+009
+0.2 3.43293e+010 3.37377e+010 2.57894e+009
diff --git a/test/sasrealspace/test/early_test.py b/test/sasrealspace/test/early_test.py
new file mode 100644
index 0000000..386908a
--- /dev/null
+++ b/test/sasrealspace/test/early_test.py
@@ -0,0 +1,294 @@
+
+import VolumeCanvas
+from sas.models.SphereModel import SphereModel
+from sas.models.CoreShellModel import CoreShellModel
+
+import math, time
+
+def form_factor(q, r):
+ qr = q*r
+ f = 3*( math.sin(qr) - qr*math.cos(qr) ) / (qr*qr*qr)
+ return f*f
+
+def test_1():
+
+ radius = 15
+
+ density = .1
+ vol = 4/3*math.pi*radius*radius*radius
+ npts = vol*density
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', density)
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, radius)
+ canvas.setParam('%s.contrast' % handle, 1.0)
+
+
+ if False:
+ # Time test
+ t_0 = time.time()
+ value_1 = 1.0e8*canvas.getIq(0.1)
+ print "density = 0.1: output=%g time=%g" % (value_1, time.time()-t_0)
+
+ t_0 = time.time()
+ canvas.setParam('lores_density', 1)
+ value_1 = 1.0e8*canvas.getIq(0.1)
+ print "density = 1000: output=%g time=%g" % (value_1, time.time()-t_0)
+
+ t_0 = time.time()
+ canvas.setParam('lores_density', 0.01)
+ value_1 = 1.0e8*canvas.getIq(0.1)
+ print "density = 0.00001: output=%g time=%g" % (value_1, time.time()-t_0)
+ print
+
+
+ sphere = SphereModel()
+ sphere.setParam('radius', radius)
+ sphere.setParam('scale', 1.0)
+ sphere.setParam('contrast', 1.0)
+
+
+ # Simple sphere sum(Pr) = (rho*V)^2
+ # each p(r) point has a volume of 1/density
+
+ for i in range(35):
+ q = 0.001 + 0.01*i
+
+
+
+ #sim_1 = 1.0e8*canvas.getIq(q)*4/3*math.pi/(density*density*density)
+ sim_1 = canvas.getIq(q)
+ ana_1 = sphere.run(q)
+ #ana_1 = form_factor(q, radius)
+
+ print "q=%g sim=%g ana=%g ratio=%g" % (q, sim_1, ana_1, sim_1/ana_1)
+
+def test_2():
+ radius = 15.0
+ thickness = 5.0
+
+ core_vol = 4.0/3.0*math.pi*radius*radius*radius
+ outer_radius = radius+thickness
+ shell_vol = 4.0/3.0*math.pi*outer_radius*outer_radius*outer_radius - core_vol
+ shell_sld = -1.0*core_vol/shell_vol
+ print "Shell SLD", shell_sld
+
+
+ density = .1
+ vol = 4/3*math.pi*radius*radius*radius
+ npts = vol*density
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', density)
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, outer_radius)
+ canvas.setParam('%s.contrast' % handle, shell_sld)
+
+ handle2 = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle2, radius)
+ canvas.setParam('%s.contrast' % handle2, 1.0)
+
+
+
+ # Core-shell
+ sphere = CoreShellModel()
+ # Core radius
+ sphere.setParam('radius', radius)
+ # Shell thickness
+ sphere.setParam('thickness', thickness)
+ sphere.setParam('core_sld', 1.0)
+
+
+ sphere.setParam('shell_sld', shell_sld)
+ sphere.setParam('solvent_sld',0.0)
+ sphere.setParam('background',0.0)
+ sphere.setParam('scale',1.0)
+
+ out = open("lores_test.txt",'w')
+ out.write("<q> <sim> <ana>\n")
+
+ for i in range(65):
+ q = 0.001 + 0.01*i
+
+ # For each volume integral that we change to a sum,
+ # we must multiply by 1/density = V/N
+ # Since we want P(r)/V, we will need to multiply
+ # the sum by 1/(N*density), where N is the number of
+ # points without overlap. Since we already divide
+ # by N when calculating I(q), we only need to divide
+ # by the density here. We divide by N in the
+ # calculation because it is difficult to estimate it here.
+
+
+ # Put the factor 2 in the simulation two...
+ sim_1 = canvas.getIq(q)
+ ana_1 = sphere.run(q)
+
+ print "q=%g sim=%g ana=%g ratio=%g" % (q, sim_1, ana_1, sim_1/ana_1)
+ out.write( "%g %g %g\n" % (q, sim_1, ana_1))
+
+ out.close()
+
+def test_4():
+ radius = 15
+
+ density = .1
+ vol = 4/3*math.pi*radius*radius*radius
+ npts = vol*density
+
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', density)
+ #handle = canvas.add('sphere')
+ #canvas.setParam('%s.radius' % handle, radius)
+ #canvas.setParam('%s.contrast' % handle, 1.0)
+
+ pdb = canvas.add('test.pdb')
+
+
+
+ sphere = SphereModel()
+ sphere.setParam('radius', radius)
+ sphere.setParam('scale', 1.0)
+ sphere.setParam('contrast', 1.0)
+
+
+ # Simple sphere sum(Pr) = (rho*V)^2
+ # each p(r) point has a volume of 1/density
+
+ for i in range(35):
+ q = 0.001 + 0.01*i
+
+
+
+ #sim_1 = 1.0e8*canvas.getIq(q)*4/3*math.pi/(density*density*density)
+ sim_1 = canvas.getIq(q)
+ ana_1 = sphere.run(q)
+ #ana_1 = form_factor(q, radius)
+
+ print "q=%g sim=%g ana=%g ratio=%g" % (q, sim_1, ana_1, sim_1/ana_1)
+
+def test_5():
+ from sas.models.SphereModel import SphereModel
+ model = VolumeCanvas.VolumeCanvas()
+
+ handle = model.add('sphere')
+
+ radius = 10
+ density = .1
+
+ ana = SphereModel()
+ ana.setParam('scale', 1.0)
+ ana.setParam('contrast', 1.0)
+ ana.setParam('background', 0.0)
+ ana.setParam('radius', radius)
+
+ model.setParam('lores_density', density)
+ model.setParam('%s.radius' % handle, radius)
+ model.setParam('scale' , 1.0)
+ model.setParam('%s.contrast' % handle, 1.0)
+ model.setParam('background' , 0.0)
+
+ ana = ana.runXY([0.1, 0.1])
+ sim = model.getIq2D(0.1, 0.1)
+ print ana, sim, sim/ana, ana/sim
+
+def test_6():
+ from sas.models.CylinderModel import CylinderModel
+ radius = 5
+ length = 40
+ density = 20
+
+ ana = CylinderModel()
+ ana.setParam('scale', 1.0)
+ ana.setParam('contrast', 1.0)
+ ana.setParam('background', 0.0)
+ ana.setParam('radius', radius)
+ ana.setParam('length', length)
+
+ # Along Y
+ ana.setParam('cyl_theta', 1.57)
+ ana.setParam('cyl_phi', 1.57)
+
+ # Along Z
+ #ana.setParam('cyl_theta', 0)
+ #ana.setParam('cyl_phi', 0)
+
+ model = VolumeCanvas.VolumeCanvas()
+ handle = model.add('cylinder')
+ model.setParam('lores_density', density)
+ model.setParam('%s.radius' % handle, radius)
+ model.setParam('%s.length' % handle, length)
+ model.setParam('scale' , 1.0)
+ model.setParam('%s.contrast' % handle, 1.0)
+ model.setParam('background' , 0.0)
+
+ # Along Y
+ model.setParam('%s.orientation' % handle, [0,0,0])
+
+ # Along Z
+ #model.setParam('%s.orientation' % handle, [1.57,0,0])
+
+
+ print model.npts
+ for i in range(40):
+ qmax = 0.5
+ anaX = ana.runXY([qmax*i/40.0, 0.0])
+ simX = model.getIq2D(qmax*i/40.0, 0.0)
+
+ anaY = ana.runXY([0, qmax*i/40.0])
+ simY = model.getIq2D(0, qmax*i/40.0)
+ print anaX, simX, simX/anaX, '|', anaY, simY, simY/anaY
+
+def test_7():
+ from sas.models.CoreShellModel import CoreShellModel
+ print "Testing core-shell"
+ radius = 15
+ thickness = 5
+ density = 5
+
+ core_vol = 4.0/3.0*math.pi*radius*radius*radius
+ outer_radius = radius+thickness
+ shell_vol = 4.0/3.0*math.pi*outer_radius*outer_radius*outer_radius - core_vol
+ shell_sld = -1.0*core_vol/shell_vol
+
+ # Core-shell
+ sphere = CoreShellModel()
+ # Core radius
+ sphere.setParam('radius', radius)
+ # Shell thickness
+ sphere.setParam('thickness', thickness)
+ sphere.setParam('core_sld', 1.0)
+ sphere.setParam('shell_sld', shell_sld)
+ sphere.setParam('solvent_sld', 0.0)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+ ana = sphere
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', density)
+
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, outer_radius)
+ canvas.setParam('%s.contrast' % handle, shell_sld)
+
+ handle2 = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle2, radius)
+ canvas.setParam('%s.contrast' % handle2, 1.0)
+
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('background' , 0.0)
+
+
+ """ Testing default core-shell orientation """
+ qlist = [.0001, 0.002, .01, .1, 1.0, 5.]
+ for q in qlist:
+ ana_val = ana.runXY([q, 0.2])
+ sim_val, err = canvas.getIq2DError(q, 0.2)
+ print ana_val, sim_val, sim_val/ana_val, err, (sim_val-ana_val)/err
+
+
+
+if __name__ == "__main__":
+ test_6()
diff --git a/test/sasrealspace/test/ellipsoid_d=0.05_Iq.txt b/test/sasrealspace/test/ellipsoid_d=0.05_Iq.txt
new file mode 100644
index 0000000..57b91c4
--- /dev/null
+++ b/test/sasrealspace/test/ellipsoid_d=0.05_Iq.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'axis_theta': 1.5700000000000001, 'radius_b': 15, 'radius_a': 20, 'axis_phi': 0.0, 'background': 0.0, 'contrast': 1.0}
+<q> <ana> <sim> <err>
+0.001 1.88485e+012 1.88189e+012 7.35402e+009
+0.0217917 1.83483e+012 1.83147e+012 7.18365e+009
+0.0425833 1.69985e+012 1.69545e+012 6.73107e+009
+0.063375 1.49672e+012 1.49089e+012 6.07014e+009
+0.0841667 1.24958e+012 1.24229e+012 5.30092e+009
+0.104958 9.8564e+011 9.77186e+011 4.52402e+009
+0.12575 7.30614e+011 7.21587e+011 3.81724e+009
+0.146542 5.05003e+011 4.96139e+011 3.22446e+009
+0.167333 3.21752e+011 3.13778e+011 2.76003e+009
+0.188125 1.85658e+011 1.79144e+011 2.41966e+009
+0.208917 9.43704e+010 8.96235e+010 2.18869e+009
+0.229708 4.04806e+010 3.75119e+010 2.04629e+009
+0.2505 1.40738e+010 1.2626e+010 1.96861e+009
+0.271292 5.08948e+009 4.7208e+009 1.93221e+009
+0.292083 5.04776e+009 5.24445e+009 1.91756e+009
+0.312875 7.9394e+009 8.22924e+009 1.91088e+009
+0.333667 1.033e+010 1.0371e+010 1.90448e+009
+0.354458 1.09014e+010 1.05292e+010 1.89551e+009
+0.37525 9.72349e+009 8.95211e+009 1.88421e+009
+0.396042 7.52237e+009 6.50489e+009 1.87219e+009
+0.416833 5.12122e+009 4.08427e+009 1.86111e+009
+0.437625 3.12049e+009 2.29207e+009 1.85209e+009
+0.458417 1.79654e+009 1.34508e+009 1.84545e+009
+0.479208 1.14661e+009 1.14435e+009 1.84089e+009
+0.5 9.98764e+008 1.41508e+009 1.83776e+009
diff --git a/test/sasrealspace/test/ellipsoid_d=0.5_Iq2D.txt b/test/sasrealspace/test/ellipsoid_d=0.5_Iq2D.txt
new file mode 100644
index 0000000..ad66585
--- /dev/null
+++ b/test/sasrealspace/test/ellipsoid_d=0.5_Iq2D.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'axis_theta': 1.5700000000000001, 'radius_b': 15, 'radius_a': 20, 'axis_phi': 0.0, 'background': 0.0, 'contrast': 1.0}
+<q> <ana> <sim> <err>
+0.001 1.88485e+012 1.8847e+012 4.10542e+008
+0.0217917 1.83608e+012 1.83655e+012 3.06675e+009
+0.0425833 1.70412e+012 1.7055e+012 9.72073e+009
+0.063375 1.50455e+012 1.50079e+012 1.85184e+010
+0.0841667 1.26003e+012 1.25632e+012 2.61434e+010
+0.104958 9.96513e+011 9.90983e+011 3.1059e+010
+0.12575 7.39268e+011 7.36377e+011 3.15408e+010
+0.146542 5.09224e+011 5.10729e+011 2.90619e+010
+0.167333 3.2051e+011 3.07972e+011 2.32998e+010
+0.188125 1.7944e+011 1.84463e+011 1.76986e+010
+0.208917 8.49775e+010 8.71545e+010 1.18554e+010
+0.229708 3.04121e+010 2.86599e+010 6.56268e+009
+0.2505 5.71493e+009 6.81516e+009 3.12076e+009
+0.271292 8.04693e+006 9.03155e+007 3.61655e+008
+0.292083 3.62647e+009 3.03417e+009 2.08145e+009
+0.312875 9.43653e+009 1.08412e+010 3.95509e+009
+0.333667 1.32991e+010 1.67259e+010 5.05345e+009
+0.354458 1.37812e+010 1.21334e+010 4.3185e+009
+0.37525 1.13721e+010 1.17844e+010 4.23494e+009
+0.396042 7.51749e+009 7.34231e+009 3.35522e+009
+0.416833 3.75654e+009 6.72932e+009 3.19781e+009
+0.437625 1.14945e+009 2.84868e+008 6.53813e+008
+0.458417 5.78751e+007 9.3358e+007 3.75074e+008
+0.479208 2.29357e+008 1.40995e+009 1.44511e+009
+0.5 1.0643e+009 7.04596e+008 1.02303e+009
diff --git a/test/sasrealspace/test/helix_d=0.05_Iq.txt b/test/sasrealspace/test/helix_d=0.05_Iq.txt
new file mode 100644
index 0000000..4a09285
--- /dev/null
+++ b/test/sasrealspace/test/helix_d=0.05_Iq.txt
@@ -0,0 +1,27 @@
+PARS: {'q_max': 0.10000000000000001, 'lores_density': 0.050000000000000003, 'background': 0.0, 'scale': 1.0}
+<q> <ana> <sim> <err>
+0.001 1 3.3589e+011 7.32709e+009
+0.0217917 1 2.88542e+011 6.46473e+009
+0.0425833 1 1.95952e+011 4.95096e+009
+0.063375 1 1.21406e+011 3.811e+009
+0.0841667 1 8.12728e+010 3.1642e+009
+0.104958 1 5.70219e+010 2.77326e+009
+0.12575 1 3.7538e+010 2.49052e+009
+0.146542 1 2.3773e+010 2.29431e+009
+0.167333 1 1.61515e+010 2.1751e+009
+0.188125 1 1.39993e+010 2.12225e+009
+0.208917 1 1.62402e+010 2.12553e+009
+0.229708 1 1.93111e+010 2.14395e+009
+0.2505 1 2.01724e+010 2.1398e+009
+0.271292 1 1.90299e+010 2.11382e+009
+0.292083 1 1.69669e+010 2.07787e+009
+0.312875 1 1.4305e+010 2.03583e+009
+0.333667 1 1.13903e+010 1.99203e+009
+0.354458 1 8.76787e+009 1.95283e+009
+0.37525 1 6.91759e+009 1.9236e+009
+0.396042 1 6.09987e+009 1.90724e+009
+0.416833 1 6.01727e+009 1.90011e+009
+0.437625 1 6.09422e+009 1.89539e+009
+0.458417 1 6.07945e+009 1.89004e+009
+0.479208 1 5.93162e+009 1.8835e+009
+0.5 1 5.57243e+009 1.87481e+009
diff --git a/test/sasrealspace/test/sim_validation.py b/test/sasrealspace/test/sim_validation.py
new file mode 100644
index 0000000..140b92b
--- /dev/null
+++ b/test/sasrealspace/test/sim_validation.py
@@ -0,0 +1,344 @@
+"""
+ Validation tests for real-space simulation of I(q)
+
+ @copyright: University of Tennessee, 2007
+ @license: This software is provided as part of the DANSE project
+"""
+import math, time, pylab
+
+try:
+ import VolumeCanvas
+ print "Testing local version"
+except:
+ print "Testing installed version"
+ import sas.sascalc.realspace.VolumeCanvas as VolumeCanvas
+
+class Validator:
+
+ def __init__(self):
+ self.density = 0.1
+ self.canvas = None
+ self.ana = None
+ self.create()
+
+ def create(self):
+ pass
+
+ def run_sim2D(self, qx, qy, density=None):
+ """
+ Calculate the mean and error of the simulation
+ @param q: q-value to calculate at
+ @param density: point density of simulation
+ #return: mean, error
+ """
+ if not density == None:
+ self.density = density
+ self.create()
+
+ return self.canvas.getIq2DError(qx, qy)
+
+ def run_sim(self, q, density=None):
+ """
+ Calculate the mean and error of the simulation
+ @param q: q-value to calculate at
+ @param density: point density of simulation
+ #return: mean, error
+ """
+ if not density == None:
+ self.density = density
+ self.create()
+
+ return self.canvas.getIqError(q)
+
+ def run_ana2D(self, qx, qy):
+ """
+ Return analytical value
+ @param q: q-value to evaluate at [float]
+ @return: analytical output [float]
+ """
+ return self.ana.runXY([qx, qy])
+
+ def run_ana(self, q):
+ """
+ Return analytical value
+ @param q: q-value to evaluate at [float]
+ @return: analytical output [float]
+ """
+ return self.ana.run(q)
+
+class SphereValidator(Validator):
+
+ def __init__(self, radius=15, density = 0.01):
+ from sas.models.SphereModel import SphereModel
+
+ self.name = 'sphere'
+ self.radius = radius
+ self.density = density
+
+ self.ana = SphereModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius', radius)
+ self.create()
+
+ def create(self):
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, self.radius)
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('%s.contrast' % handle, 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+class CylinderValidator(Validator):
+
+ def __init__(self, radius=15, length=100, density = 0.01):
+ from sas.models.CylinderModel import CylinderModel
+
+ self.name = 'cylinder'
+ self.radius = radius
+ self.length = length
+ self.density = density
+
+ self.ana = CylinderModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius', radius)
+ self.ana.setParam('length', length)
+ self.ana.setParam('cyl_theta', math.pi/2.0)
+ self.ana.setParam('cyl_phi', math.pi/2.0)
+ self.create()
+
+ def create(self):
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+ handle = canvas.add('cylinder')
+ canvas.setParam('%s.radius' % handle, self.radius)
+ canvas.setParam('%s.length' % handle, self.length)
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('%s.contrast' % handle, 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+class EllipsoidValidator(Validator):
+
+ def __init__(self, radius_a=60, radius_b=10, density = 0.01):
+ from sas.models.EllipsoidModel import EllipsoidModel
+ #from sas.models.SphereModel import SphereModel
+
+ self.name = 'ellipsoid'
+ self.radius_a = radius_a
+ self.radius_b = radius_b
+ self.density = density
+
+ self.ana = EllipsoidModel()
+ #self.ana = SphereModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius_a', radius_a)
+ self.ana.setParam('radius_b', radius_b)
+ #self.ana.setParam('radius', radius_a)
+
+ # Default orientation is there=1.57, phi=0
+ # Radius_a is along the x direction
+
+ self.create()
+
+ def create(self):
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+ handle = canvas.add('ellipsoid')
+ canvas.setParam('%s.radius_x' % handle, self.radius_a)
+ canvas.setParam('%s.radius_y' % handle, self.radius_b)
+ canvas.setParam('%s.radius_z' % handle, self.radius_b)
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('%s.contrast' % handle, 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+class HelixValidator(Validator):
+
+ def __init__(self, density = 0.01):
+ self.name = 'helix'
+ self.density = density
+ self.create()
+
+ def create(self):
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+ handle = canvas.add('singlehelix')
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('%s.contrast' % handle, 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+ # just to write the parameters to the output file
+ self.ana = canvas
+
+ def run_ana(self, q):
+ return 1
+
+
+class CoreShellValidator(Validator):
+
+ def __init__(self, radius=15, thickness=5, density = 0.01):
+ from sas.models.CoreShellModel import CoreShellModel
+
+ self.name = 'coreshell'
+ self.radius = radius
+
+ core_vol = 4.0/3.0*math.pi*radius*radius*radius
+ self.outer_radius = radius+thickness
+ shell_vol = 4.0/3.0*math.pi*self.outer_radius*self.outer_radius*self.outer_radius - core_vol
+ self.shell_sld = -1.0*core_vol/shell_vol
+
+ self.density = density
+
+ # Core-shell
+ sphere = CoreShellModel()
+ # Core radius
+ sphere.setParam('radius', self.radius)
+ # Shell thickness
+ sphere.setParam('thickness', thickness)
+ sphere.setParam('core_sld', 1.0)
+ sphere.setParam('shell_sld', self.shell_sld)
+ sphere.setParam('solvent_sld', 0.0)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+ self.ana = sphere
+ self.create()
+
+ def create(self):
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, self.outer_radius)
+ canvas.setParam('%s.contrast' % handle, self.shell_sld)
+
+ handle2 = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle2, self.radius)
+ canvas.setParam('%s.contrast' % handle2, 1.0)
+
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+def validate_model(validator, q_min, q_max, n_q):
+ """
+ Validate a model
+ An output file containing a comparison between
+ simulation and the analytical solution will be
+ produced.
+
+ @param validator: validator object
+ @param q_min: minimum q
+ @param q_max: maximum q
+ @param n_q: number of q points
+ @param N: number of times to evaluate each simulation point
+ """
+
+ q_list = pylab.arange(q_min, q_max*1.0001, (q_max-q_min)/(n_q-1))
+
+ output = open('%s_d=%g_Iq.txt' % (validator.name, validator.density), 'w')
+ output.write("PARS: %s\n" % validator.ana.params)
+ output.write("<q> <ana> <sim> <err>\n")
+ for q in q_list:
+ ana = validator.run_ana(q)
+ sim, err = validator.run_sim(q)
+ print "q=%-g ana=%-g sim=%-g err=%-g diff=%-g (%-g) %s" % (q, ana, sim, err,
+ (sim-ana), sim/ana, str(math.fabs(sim-ana)>err))
+ output.write("%g %g %g %g\n" % (q, ana, sim, err))
+ output.close()
+
+def validate_model_2D(validator, q_min, q_max, phi, n_q):
+ """
+ Validate a model
+ An output file containing a comparison between
+ simulation and the analytical solution will be
+ produced.
+
+ @param validator: validator object
+ @param q_min: minimum q
+ @param q_max: maximum q
+ @param n_q: number of q points
+ @param N: number of times to evaluate each simulation point
+ """
+
+ q_list = pylab.arange(q_min, q_max*1.0001, (q_max-q_min)/(n_q-1))
+
+ output = open('%s_d=%g_Iq2D.txt' % (validator.name, validator.density), 'w')
+ output.write("PARS: %s\n" % validator.ana.params)
+ output.write("<q> <ana> <sim> <err>\n")
+ t_0 = time.time()
+ for q in q_list:
+ ana = validator.run_ana2D(q*math.cos(phi), q*math.sin(phi))
+ sim, err = validator.run_sim2D(q*math.cos(phi), q*math.sin(phi))
+ print "q=%-g ana=%-g sim=%-g err=%-g diff=%-g (%-g) %s" % (q, ana, sim, err,
+ (sim-ana), sim/ana, str(math.fabs(sim-ana)>err))
+ output.write("%g %g %g %g\n" % (q, ana, sim, err))
+ print "Time elapsed: ", time.time()-t_0
+ output.close()
+
+def check_density(validator, q, d_min, d_max, n_d):
+ """
+ Check simulation output as a function of the density
+ An output file containing a comparison between
+ simulation and the analytical solution will be
+ produced.
+
+ @param validator: validator object
+ @param q: q-value to evaluate at
+ @param d_min: minimum density
+ @param d_max: maximum density
+ @param n_d: number of density points
+ @param N: number of times to evaluate each simulation point
+ """
+ d_list = pylab.arange(d_min, d_max*1.0001, (d_max-d_min)/(n_d-1.0))
+
+ output = open('%s_%g_density.txt' % (validator.name, q), 'w')
+ output.write("PARS: %s\n" % validator.ana.params)
+ output.write("<density> <ana_d> <sim_d> <err_d>\n")
+ ana = validator.run_ana(q)
+ for d in d_list:
+ sim, err = validator.run_sim(q, density=d)
+ print "d=%-g ana=%-g sim=%-g err=%-g diff=%-g (%g) %s" % \
+ (d, ana, sim, err, (sim-ana), (sim-ana)/ana,
+ str(math.fabs(sim-ana)>err))
+ output.write("%g %g %g %g \n" % (d, ana, sim, err))
+ output.close()
+
+
+if __name__ == '__main__':
+
+ # 2D: Density=5, 71.2 secs for 50 points
+ #vali = CoreShellValidator(radius = 15, thickness=5, density = 5.0)
+ #validate_model(vali, q_min=0.001, q_max=1, n_q=50)
+ #validate_model_2D(vali, q_min=0.001, q_max=1, phi=1.0, n_q=50)
+
+ # 2D: Density=2, 11.1 secs for 25 points
+ #vali = SphereValidator(radius = 20, density = 0.02)
+ #validate_model(vali, q_min=0.001, q_max=0.5, n_q=25)
+ #vali = SphereValidator(radius = 20, density = 2.0)
+ #validate_model_2D(vali, q_min=0.001, q_max=0.5, phi=1.0, n_q=25)
+
+ # 2D: Density=1, 19.4 secs for 25 points
+ # 2D: Density=0.5, 9.8 secs for 25 points
+ #vali = CylinderValidator(radius = 20, length=100, density = 0.1)
+ #validate_model(vali, q_min=0.001, q_max=0.5, n_q=25)
+ vali = CylinderValidator(radius = 20, length=100, density = 0.5)
+ validate_model_2D(vali, q_min=0.001, q_max=0.2, phi=1.0, n_q=25)
+
+ # 2D: Density=0.5, 2.26 secs for 25 points
+ #vali = EllipsoidValidator(radius_a = 20, radius_b=15, density = 0.05)
+ #validate_model(vali, q_min=0.001, q_max=0.5, n_q=25)
+ #vali = EllipsoidValidator(radius_a = 20, radius_b=15, density = 0.5)
+ #validate_model_2D(vali, q_min=0.001, q_max=0.5, phi=1.0, n_q=25)
+
+ #vali = HelixValidator(density = 0.05)
+ #validate_model(vali, q_min=0.001, q_max=0.5, n_q=25)
+
+
diff --git a/test/sasrealspace/test/sphere_d=0.02_Iq.txt b/test/sasrealspace/test/sphere_d=0.02_Iq.txt
new file mode 100644
index 0000000..dec3a3c
--- /dev/null
+++ b/test/sasrealspace/test/sphere_d=0.02_Iq.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'radius': 20, 'contrast': 1.0, 'background': 0.0}
+<q> <ana> <sim> <err>
+0.001 3.35076e+012 3.34473e+012 1.83791e+010
+0.0217917 3.22578e+012 3.22005e+012 1.77877e+010
+0.0425833 2.89407e+012 2.8891e+012 1.62491e+010
+0.063375 2.41141e+012 2.40742e+012 1.40968e+010
+0.0841667 1.85421e+012 1.85115e+012 1.1754e+010
+0.104958 1.30194e+012 1.29955e+012 9.59078e+009
+0.12575 8.20339e+011 8.18306e+011 7.82331e+009
+0.146542 4.50004e+011 4.4813e+011 6.51456e+009
+0.167333 2.02695e+011 2.0101e+011 5.63882e+009
+0.188125 6.53019e+010 6.40741e+010 5.12743e+009
+0.208917 9.08587e+009 8.72085e+009 4.88519e+009
+0.229708 6.52867e+008 1.518e+009 4.80599e+009
+0.2505 1.12169e+010 1.34659e+010 4.7969e+009
+0.271292 2.19267e+010 2.53926e+010 4.79648e+009
+0.292083 2.47336e+010 2.89354e+010 4.77778e+009
+0.312875 1.98194e+010 2.4082e+010 4.73926e+009
+0.333667 1.14538e+010 1.5099e+010 4.69233e+009
+0.354458 4.1655e+009 6.7031e+009 4.65023e+009
+0.37525 4.46529e+008 1.69842e+009 4.62081e+009
+0.396042 2.84717e+008 4.01262e+008 4.60452e+009
+0.416833 2.03152e+009 1.40088e+009 4.59665e+009
+0.437625 3.7442e+009 2.83466e+009 4.59136e+009
+0.458417 4.22545e+009 3.42181e+009 4.58465e+009
+0.479208 3.36846e+009 2.86049e+009 4.57542e+009
+0.5 1.85693e+009 1.61315e+009 4.56486e+009
diff --git a/test/sasrealspace/test/sphere_d=0.1_Iq.txt b/test/sasrealspace/test/sphere_d=0.1_Iq.txt
new file mode 100644
index 0000000..6b57d94
--- /dev/null
+++ b/test/sasrealspace/test/sphere_d=0.1_Iq.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'radius': 20, 'contrast': 1.0, 'background': 0.0}
+<q> <ana> <sim> <err>
+0.001 3.35076e+012 3.34973e+012 3.67891e+009
+0.0217917 3.22578e+012 3.22395e+012 3.55965e+009
+0.0425833 2.89407e+012 2.89029e+012 3.24964e+009
+0.063375 2.41141e+012 2.40527e+012 2.81671e+009
+0.0841667 1.85421e+012 1.84622e+012 2.34653e+009
+0.104958 1.30194e+012 1.29329e+012 1.91348e+009
+0.12575 8.20339e+011 8.12471e+011 1.56046e+009
+0.146542 4.50004e+011 4.4408e+011 1.29968e+009
+0.167333 2.02695e+011 1.99229e+011 1.12572e+009
+0.188125 6.53019e+010 6.40562e+010 1.02452e+009
+0.208917 9.08587e+009 9.2613e+009 9.76591e+008
+0.229708 6.52867e+008 1.25811e+009 9.60446e+008
+0.2505 1.12169e+010 1.14561e+010 9.57674e+008
+0.271292 2.19267e+010 2.14459e+010 9.56503e+008
+0.292083 2.47336e+010 2.36485e+010 9.52061e+008
+0.312875 1.98194e+010 1.85473e+010 9.4432e+008
+0.333667 1.14538e+010 1.0453e+010 9.35555e+008
+0.354458 4.1655e+009 3.7087e+009 9.28183e+008
+0.37525 4.46529e+008 5.22496e+008 9.23435e+008
+0.396042 2.84717e+008 6.49244e+008 9.21063e+008
+0.416833 2.03152e+009 2.35982e+009 9.19933e+008
+0.437625 3.7442e+009 3.79697e+009 9.18882e+008
+0.458417 4.22545e+009 3.9482e+009 9.17274e+008
+0.479208 3.36846e+009 2.88727e+009 9.15122e+008
+0.5 1.85693e+009 1.38828e+009 9.12848e+008
diff --git a/test/sasrealspace/test/sphere_d=2_Iq2D.txt b/test/sasrealspace/test/sphere_d=2_Iq2D.txt
new file mode 100644
index 0000000..a67b670
--- /dev/null
+++ b/test/sasrealspace/test/sphere_d=2_Iq2D.txt
@@ -0,0 +1,27 @@
+PARS: {'scale': 1.0, 'radius': 20, 'contrast': 1.0, 'background': 0.0}
+<q> <ana> <sim> <err>
+0.001 3.35076e+012 3.35073e+012 1.02559e+008
+0.0217917 3.22578e+012 3.22556e+012 1.26748e+009
+0.0425833 2.89407e+012 2.89631e+012 3.98876e+009
+0.063375 2.41141e+012 2.4136e+012 7.05401e+009
+0.0841667 1.85421e+012 1.85598e+012 9.16184e+009
+0.104958 1.30194e+012 1.29271e+012 9.61462e+009
+0.12575 8.20339e+011 8.18218e+011 8.47219e+009
+0.146542 4.50004e+011 4.53479e+011 6.46034e+009
+0.167333 2.02695e+011 2.05057e+011 4.21957e+009
+0.188125 6.53019e+010 7.08642e+010 2.37486e+009
+0.208917 9.08587e+009 8.04306e+009 7.69335e+008
+0.229708 6.52867e+008 4.6001e+008 1.82649e+008
+0.2505 1.12169e+010 1.27539e+010 9.69079e+008
+0.271292 2.19267e+010 2.07541e+010 1.26591e+009
+0.292083 2.47336e+010 2.40875e+010 1.38764e+009
+0.312875 1.98194e+010 1.53331e+010 1.11323e+009
+0.333667 1.14538e+010 1.06653e+010 9.16921e+008
+0.354458 4.1655e+009 4.50656e+009 5.89412e+008
+0.37525 4.46529e+008 2.35626e+008 1.34098e+008
+0.396042 2.84717e+008 5.60381e+008 2.06561e+008
+0.416833 2.03152e+009 1.86189e+009 3.77226e+008
+0.437625 3.7442e+009 3.55198e+009 5.28877e+008
+0.458417 4.22545e+009 3.88908e+009 5.5361e+008
+0.479208 3.36846e+009 3.81988e+009 5.4743e+008
+0.5 1.85693e+009 1.91111e+009 3.83604e+008
diff --git a/test/sasrealspace/test/test-case.xml b/test/sasrealspace/test/test-case.xml
new file mode 100644
index 0000000..107b264
--- /dev/null
+++ b/test/sasrealspace/test/test-case.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0"?>
+<TestCase>
+ <Stimulus id="Add"/>
+ <Stimulus id="GetIq"/>
+</TestCase>
\ No newline at end of file
diff --git a/test/sasrealspace/test/test.pdb b/test/sasrealspace/test/test.pdb
new file mode 100644
index 0000000..50d49ad
--- /dev/null
+++ b/test/sasrealspace/test/test.pdb
@@ -0,0 +1,10 @@
+REMARK FILENAME="if0.pdb"
+REMARK TOPH19.pep -MACRO for protein sequence
+REMARK DATE:17-Aug-02 11:05:39 created by user:
+ATOM 1 CB SER 1 -1.115 -11.617 -11.368
+ATOM 2 OG SER 1 0.202 -11.845 -10.894 1.00 54.67
+ATOM 3 C SER 1 -2.076 -12.837 -9.369 1.00 44.10
+ATOM 4 O SER 1 -3.108 -12.947 -8.704 1.00 43.77
+ATOM 5 N SER 1 -3.465 -12.399 -11.363 1.00 83.41
+ATOM 6 CA SER 1 -2.108 -12.709 -10.900 1.00 57.67
+END
diff --git a/test/sasrealspace/test/utest_oriented.py b/test/sasrealspace/test/utest_oriented.py
new file mode 100644
index 0000000..945b556
--- /dev/null
+++ b/test/sasrealspace/test/utest_oriented.py
@@ -0,0 +1,486 @@
+"""
+ Unit tests for specific oriented models
+ @copyright: University of Tennessee, for the DANSE project
+"""
+
+import unittest, math, sys
+
+# Disable "missing docstring" complaint
+# pylint: disable-msg=C0111
+# Disable "too many methods" complaint
+# pylint: disable-msg=R0904
+# Disable "could be a function" complaint
+# pylint: disable-msg=R0201
+# pylint: disable-msg=W0702
+
+try:
+ import VolumeCanvas
+ print "Testing local version"
+except:
+ print sys.exc_value
+ #testing the version that is working on
+ print "Testing installed version"
+ import sas.sascalc.realspace.VolumeCanvas as VolumeCanvas
+
+
+class TestSphere(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """
+ Set up canvas
+ """
+ from sas.models.SphereModel import SphereModel
+ self.model = VolumeCanvas.VolumeCanvas()
+
+ handle = self.model.add('sphere')
+
+ radius = 10
+ density = .1
+
+ ana = SphereModel()
+ ana.setParam('scale', 1.0)
+ ana.setParam('contrast', 1.0)
+ ana.setParam('background', 0.0)
+ ana.setParam('radius', radius)
+ self.ana = ana
+
+ self.model.setParam('lores_density', density)
+ self.model.setParam('%s.radius' % handle, radius)
+ self.model.setParam('scale' , 1.0)
+ self.model.setParam('%s.contrast' % handle, 1.0)
+ self.model.setParam('background' , 0.0)
+
+
+ def testdefault(self):
+ """ Testing sphere """
+ # Default orientation
+ ana_val = self.ana.runXY([0.1, 0.1])
+ sim_val = self.model.getIq2D(0.1, 0.1)
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.1 )
+
+class TestCylinderAddObject(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up cylinder model """
+ from sas.models.CylinderModel import CylinderModel
+ radius = 5
+ length = 40
+ density = 20
+
+ # Analytical model
+ self.ana = CylinderModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius', radius)
+ self.ana.setParam('length', length)
+
+ # Simulation model
+ self.model = VolumeCanvas.VolumeCanvas()
+ cyl = VolumeCanvas.CylinderDescriptor()
+ self.handle = self.model.addObject(cyl)
+ self.model.setParam('lores_density', density)
+ self.model.setParam('%s.radius' % self.handle, radius)
+ self.model.setParam('%s.length' % self.handle, length)
+ self.model.setParam('scale' , 1.0)
+ self.model.setParam('%s.contrast' % self.handle, 1.0)
+ self.model.setParam('background' , 0.0)
+
+ def testalongY(self):
+ """ Testing cylinder along Y axis """
+ self.ana.setParam('cyl_theta', math.pi/2.0)
+ self.ana.setParam('cyl_phi', math.pi/2.0)
+
+ self.model.setParam('%s.orientation' % self.handle, [0,0,0])
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.model.getIq2D(0.1, 0.2)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+
+class TestCylinder(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up cylinder model """
+ from sas.models.CylinderModel import CylinderModel
+ radius = 5
+ length = 40
+ density = 20
+
+ # Analytical model
+ self.ana = CylinderModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius', radius)
+ self.ana.setParam('length', length)
+
+ # Simulation model
+ self.model = VolumeCanvas.VolumeCanvas()
+ self.handle = self.model.add('cylinder')
+ self.model.setParam('lores_density', density)
+ self.model.setParam('%s.radius' % self.handle, radius)
+ self.model.setParam('%s.length' % self.handle, length)
+ self.model.setParam('scale' , 1.0)
+ self.model.setParam('%s.contrast' % self.handle, 1.0)
+ self.model.setParam('background' , 0.0)
+
+ def testalongY(self):
+ """ Testing cylinder along Y axis """
+ self.ana.setParam('cyl_theta', math.pi/2.0)
+ self.ana.setParam('cyl_phi', math.pi/2.0)
+
+ self.model.setParam('%s.orientation' % self.handle, [0,0,0])
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.model.getIq2D(0.1, 0.2)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+ def testalongZ(self):
+ """ Testing cylinder along Z axis """
+ self.ana.setParam('cyl_theta', 0)
+ self.ana.setParam('cyl_phi', 0)
+
+ self.model.setParam('%s.orientation' % self.handle, [90,0,0])
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.model.getIq2D(0.1, 0.2)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+ def testalongX(self):
+ """ Testing cylinder along X axis """
+ self.ana.setParam('cyl_theta', 1.57)
+ self.ana.setParam('cyl_phi', 0)
+
+ self.model.setParam('%s.orientation' % self.handle, [0,0,90])
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.model.getIq2D(0.1, 0.2)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+class TestEllipsoid(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up ellipsoid """
+ from sas.models.EllipsoidModel import EllipsoidModel
+
+ radius_a = 60
+ radius_b = 10
+ density = 30
+
+ self.ana = EllipsoidModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius_a', radius_a)
+ self.ana.setParam('radius_b', radius_b)
+ # Default orientation is there=1.57, phi=0
+ # Radius_a is along the x direction
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', density)
+ self.handle = canvas.add('ellipsoid')
+ canvas.setParam('%s.radius_x' % self.handle, radius_a)
+ canvas.setParam('%s.radius_y' % self.handle, radius_b)
+ canvas.setParam('%s.radius_z' % self.handle, radius_b)
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('%s.contrast' % self.handle, 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+ def testalongX(self):
+ """ Testing ellipsoid along X """
+ self.ana.setParam('axis_theta', 1.57)
+ self.ana.setParam('axis_phi', 0)
+
+ self.canvas.setParam('%s.orientation' % self.handle, [0,0,0])
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.canvas.getIq2D(0.1, 0.2)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+ def testalongZ(self):
+ """ Testing ellipsoid along Z """
+ self.ana.setParam('axis_theta', 0)
+ self.ana.setParam('axis_phi', 0)
+
+ self.canvas.setParam('%s.orientation' % self.handle, [0,90,0])
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.canvas.getIq2D(0.1, 0.2)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+ def testalongY(self):
+ """ Testing ellipsoid along Y """
+ self.ana.setParam('axis_theta', math.pi/2.0)
+ self.ana.setParam('axis_phi', math.pi/2.0)
+
+ self.canvas.setParam('%s.orientation' % self.handle, [0,0,90])
+
+ ana_val = self.ana.runXY([0.05, 0.15])
+ sim_val = self.canvas.getIq2D(0.05, 0.15)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ try:
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+ except:
+ print "Error", ana_val, sim_val, sim_val/ana_val
+ raise sys.exc_type, sys.exc_value
+
+class TestCoreShell(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up zero-SLD-average core-shell model """
+ from sas.models.CoreShellModel import CoreShellModel
+
+ radius = 15
+ thickness = 5
+ density = 20
+
+ core_vol = 4.0/3.0*math.pi*radius*radius*radius
+ self.outer_radius = radius+thickness
+ shell_vol = 4.0/3.0*math.pi*self.outer_radius*self.outer_radius*self.outer_radius - core_vol
+ self.shell_sld = -1.0*core_vol/shell_vol
+
+ self.density = density
+
+ # Core-shell
+ sphere = CoreShellModel()
+ # Core radius
+ sphere.setParam('radius', radius)
+ # Shell thickness
+ sphere.setParam('thickness', thickness)
+ sphere.setParam('core_sld', 1.0)
+ sphere.setParam('shell_sld', self.shell_sld)
+ sphere.setParam('solvent_sld', 0.0)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+ self.ana = sphere
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, self.outer_radius)
+ canvas.setParam('%s.contrast' % handle, self.shell_sld)
+
+ handle2 = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle2, radius)
+ canvas.setParam('%s.contrast' % handle2, 1.0)
+
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+ def testdefault(self):
+ """ Testing default core-shell orientation """
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val, err = self.canvas.getIq2DError(0.1, 0.2)
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+class TestCoreShellError(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up zero-SLD-average core-shell model """
+ from sas.models.CoreShellModel import CoreShellModel
+
+ radius = 15
+ thickness = 5
+ density = 5
+
+ core_vol = 4.0/3.0*math.pi*radius*radius*radius
+ self.outer_radius = radius+thickness
+ shell_vol = 4.0/3.0*math.pi*self.outer_radius*self.outer_radius*self.outer_radius - core_vol
+ self.shell_sld = -1.0*core_vol/shell_vol
+
+ self.density = density
+
+ # Core-shell
+ sphere = CoreShellModel()
+ # Core radius
+ sphere.setParam('radius', radius)
+ # Shell thickness
+ sphere.setParam('thickness', thickness)
+ sphere.setParam('core_sld', 1.0)
+ sphere.setParam('shell_sld', self.shell_sld)
+ sphere.setParam('solvent_sld', 0.0)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+ self.ana = sphere
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', self.density)
+
+ handle = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle, self.outer_radius)
+ canvas.setParam('%s.contrast' % handle, self.shell_sld)
+
+ handle2 = canvas.add('sphere')
+ canvas.setParam('%s.radius' % handle2, radius)
+ canvas.setParam('%s.contrast' % handle2, 1.0)
+
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+ def testdefault(self):
+ """ Testing default core-shell orientation """
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val, err = self.canvas.getIq2DError(0.1, 0.2)
+
+ self.assert_( math.fabs(sim_val-ana_val) < 3.0 * err )
+
+class TestRunMethods(unittest.TestCase):
+ """ Tests run methods for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up ellipsoid """
+ from sas.models.EllipsoidModel import EllipsoidModel
+
+ radius_a = 10
+ radius_b = 15
+ density = 5
+
+ self.ana = EllipsoidModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius_a', radius_a)
+ self.ana.setParam('radius_b', radius_b)
+
+
+ canvas = VolumeCanvas.VolumeCanvas()
+ canvas.setParam('lores_density', density)
+ self.handle = canvas.add('ellipsoid')
+ canvas.setParam('%s.radius_x' % self.handle, radius_a)
+ canvas.setParam('%s.radius_y' % self.handle, radius_b)
+ canvas.setParam('%s.radius_z' % self.handle, radius_b)
+ canvas.setParam('scale' , 1.0)
+ canvas.setParam('%s.contrast' % self.handle, 1.0)
+ canvas.setParam('background' , 0.0)
+ self.canvas = canvas
+
+ self.ana.setParam('axis_theta', 1.57)
+ self.ana.setParam('axis_phi', 0)
+
+ self.canvas.setParam('%s.orientation' % self.handle, [0,0,0])
+
+
+ def testRunXY_List(self):
+ """ Testing ellipsoid along X """
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.canvas.runXY([0.1, 0.2])
+ #print ana_val, sim_val, sim_val/ana_val
+
+ try:
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+ except:
+ print "Error", ana_val, sim_val, sim_val/ana_val
+ raise sys.exc_type, sys.exc_value
+
+ def testRunXY_float(self):
+ """ Testing ellipsoid along X """
+ ana_val = self.ana.runXY(0.1)
+ sim_val = self.canvas.runXY(0.1)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ try:
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+ except:
+ print "Error", ana_val, sim_val, sim_val/ana_val
+ raise sys.exc_type, sys.exc_value
+
+ def testRun_float(self):
+ """ Testing ellipsoid along X """
+ ana_val = self.ana.run(0.1)
+ sim_val = self.canvas.run(0.1)
+ #print ana_val, sim_val, sim_val/ana_val
+
+ try:
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+ except:
+ print "Error", ana_val, sim_val, sim_val/ana_val
+ raise sys.exc_type, sys.exc_value
+
+ def testRun_list(self):
+ """ Testing ellipsoid along X """
+ ana_val = self.ana.run([0.1, 33.0])
+ sim_val = self.canvas.run([0.1, 33.0])
+ #print ana_val, sim_val, sim_val/ana_val
+
+ try:
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+ except:
+ print "Error", ana_val, sim_val, sim_val/ana_val
+ raise sys.exc_type, sys.exc_value
+
+class TestParamChange(unittest.TestCase):
+ """ Tests for oriented (2D) systems """
+
+ def setUp(self):
+ """ Set up cylinder model """
+ from sas.models.CylinderModel import CylinderModel
+ radius = 5
+ length = 40
+ density = 20
+
+ # Analytical model
+ self.ana = CylinderModel()
+ self.ana.setParam('scale', 1.0)
+ self.ana.setParam('contrast', 1.0)
+ self.ana.setParam('background', 0.0)
+ self.ana.setParam('radius', radius)
+ self.ana.setParam('length', length)
+ self.ana.setParam('cyl_theta', math.pi/2.0)
+ self.ana.setParam('cyl_phi', math.pi/2.0)
+
+ # Simulation model
+ self.model = VolumeCanvas.VolumeCanvas()
+ self.handle = self.model.add('cylinder')
+ self.model.setParam('lores_density', density)
+ self.model.setParam('%s.radius' % self.handle, radius)
+ self.model.setParam('%s.length' % self.handle, length)
+ self.model.setParam('scale' , 1.0)
+ self.model.setParam('%s.contrast' % self.handle, 1.0)
+ self.model.setParam('background' , 0.0)
+ self.model.setParam('%s.orientation' % self.handle, [0,0,0])
+
+ def testalongY(self):
+ """ Test that a parameter change forces the generation
+ of new space points
+ """
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.model.getIq2D(0.1, 0.2)
+
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+ # Change the radius a re-evaluate
+ self.ana.setParam('radius', 10)
+ self.model.setParam('%s.radius' % self.handle, 10)
+
+ ana_val = self.ana.runXY([0.1, 0.2])
+ sim_val = self.model.getIq2D(0.1, 0.2)
+ self.assert_( math.fabs(sim_val/ana_val-1.0)<0.05 )
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/sasrealspace/test/utest_realspace.py b/test/sasrealspace/test/utest_realspace.py
new file mode 100644
index 0000000..9298cc8
--- /dev/null
+++ b/test/sasrealspace/test/utest_realspace.py
@@ -0,0 +1,376 @@
+"""
+ Unit tests for specific models
+ @author: Mathieu Doucet / UTK
+"""
+
+import unittest, math, time
+
+# Disable "missing docstring" complaint
+# pylint: disable-msg=C0111
+# Disable "too many methods" complaint
+# pylint: disable-msg=R0904
+# Disable "could be a function" complaint
+# pylint: disable-msg=R0201
+
+try:
+ import VolumeCanvas
+ print "Testing local version"
+except:
+ import sys
+ print sys.exc_value
+ #testing the version that is working on
+ print "Testing installed version"
+ import sas.sascalc.realspace.VolumeCanvas as VolumeCanvas
+
+class TestRealSpaceModel(unittest.TestCase):
+ """ Unit tests for sphere model """
+
+ def setUp(self):
+ self.model = VolumeCanvas.VolumeCanvas()
+ self.model.add('cylinder', 'cyl')
+ self.model.add('sphere', 'sph')
+ self.model.add('ellipsoid', 'elli')
+ self.model.add('singlehelix', 'shelix')
+
+ def testAdding(self):
+ self.assertEqual('cyl', self.model.add('cylinder', 'cyl'))
+
+ def testDeleting(self):
+ self.model.add('ellipsoid','elli2')
+ self.model.delete('elli2')
+ self.assert_('elli2' not in self.model.getShapeList())
+
+ def testsetParam(self):
+ self.model.setParam('q_max', 0.2)
+ self.model.setParam('shelix.radius_helix', 12)
+
+ def testgetParamList(self):
+ #print self.model.getParamList()
+ #print self.model.getParamList('shelix')
+ pass
+
+ def testPr_Iq(self):
+ self.model.getPr()
+ #print "pr is calculated", self.model.hasPr
+ result = self.model.getIq(0.1)
+ #print "I(0.1) is calculated: ", result
+
+class TestSphere(unittest.TestCase):
+ """ Unit tests for sphere model """
+
+ def setUp(self):
+ self.canvas = VolumeCanvas.VolumeCanvas()
+
+
+ def testSetQmax(self):
+ old_value = self.canvas.getParam('q_max')
+ new_value = old_value + 0.1
+ self.canvas.setParam('q_max', new_value)
+ self.assertEqual(self.canvas.getParam("Q_MAx"), new_value)
+
+ def testSetDensity(self):
+ self.canvas.setParam('lores_density', 0.1)
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam("%s.radius" % handle, 5.0)
+ vol = 4/3*math.pi*5*5*5
+ npts_1 = vol/0.1
+ value_1 = self.canvas.getIq(0.001)
+
+ # Change density, the answer should be the same
+ self.canvas.setParam('lores_density', 0.2)
+ npts_2 = vol/0.2
+ value_2 = self.canvas.getIq(0.001)
+
+ self.assert_( (value_1-value_2)/value_1 < 0.1)
+
+ def testSetDensityTiming(self):
+ """Testing change in computation time with density"""
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam("%s.radius" % handle, 15.0)
+
+ self.canvas.setParam('lores_density', 0.6)
+ t_0 = time.time()
+ self.canvas.getIq(0.001)
+ t_1 = time.time()-t_0
+
+ # Change density, the answer should be the same
+ self.canvas.setParam('lores_density', 0.1)
+ t_0 = time.time()
+ self.canvas.getIq(0.001)
+ t_2 = time.time()-t_0
+
+ self.assert_( t_2 < t_1 and (t_1-t_2)/t_2 > 2)
+
+ def testGetParamList(self):
+ """ Test GetParamList on empty canvas"""
+ self.assert_('lores_density' in self.canvas.getParamList())
+ handle = self.canvas.add('sphere')
+
+ def testGetParamListWithShape(self):
+ """ Test GetParamList on filled canvas"""
+ self.canvas.add('sphere')
+ self.assert_('lores_density' in self.canvas.getParamList())
+
+ def testAdd(self):
+ handle = "s1"
+ self.assertEqual(handle, self.canvas.add('sphere', handle))
+
+ #TODO: test for current list of shape
+ self.assertEqual( [handle] , self.canvas.getShapeList())
+
+ def testSetRadius(self):
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam("%s.rAdius" % handle, 24.0)
+ self.assertEqual(self.canvas.getParam("%s.rAdius" % handle), 24.0)
+
+ def testGetIq(self):
+ """ Test the output of I(q) to the analytical solution
+ If the normalization is wrong, we will have to fix it.
+
+ getIq() should call getPr() behind the scenes so that
+ the user doesnt have to do it if he doesn't need to.
+ """
+ from sas.models.SphereModel import SphereModel
+ sphere = SphereModel()
+ sphere.setParam('radius', 10.0)
+ sphere.setParam('contrast', 1.0)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, 10.0)
+ self.canvas.setParam('%s.contrast' % handle, 1.0)
+
+
+ sim_1 = self.canvas.getIq(0.001)
+ ana_1 = sphere.run(0.001)
+ sim_2 = self.canvas.getIq(0.01)
+ ana_2 = sphere.run(0.01)
+
+ # test the shape of the curve (calculate relative error
+ # on the output and it should be compatible with zero
+ # THIS WILL DEPEND ON THE NUMBER OF SPACE POINTS:
+ # that why we need some error analysis.
+ self.assert_( (sim_2*ana_1/sim_1 - ana_2)/ana_2 < 0.1)
+
+ # test the absolute amplitude
+ self.assert_( math.fabs(sim_2-ana_2)/ana_2 < 0.1)
+
+ def testGetIq2(self):
+ """ Test two different q values
+ """
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, 10.0)
+
+ sim_1 = self.canvas.getIq(0.001)
+ sim_2 = self.canvas.getIq(0.01)
+
+ self.assertNotAlmostEqual(sim_2, sim_1, 3)
+
+ def testGetIq_Identical(self):
+ """ Test for identical model / no param change
+ """
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, 10.0)
+
+ sim_1 = self.canvas.getIq(0.01)
+ sim_2 = self.canvas.getIq(0.01)
+
+ self.assertEqual(sim_2, sim_1)
+
+ def testGetIq_Identical2(self):
+ """ Test for identical model after a parameter change
+ Should be different only of the space points
+ are regenerated and the random seed is different
+ """
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, 10.0)
+
+ self.canvas.setParam('lores_density', 0.1)
+ sim_1 = self.canvas.getIq(0.01)
+
+ # Try to fool the code by changing to a different value
+ self.canvas.setParam('lores_density', 0.2)
+ self.canvas.getIq(0.01)
+
+ self.canvas.setParam('lores_density', 0.1)
+ sim_2 = self.canvas.getIq(0.01)
+
+ self.assert_((sim_2-sim_1)/sim_1<0.05)
+
+ def testGetIq_time(self):
+ """ Time profile
+ """
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, 15.0)
+
+
+ self.canvas.setParam('lores_density', 0.1)
+ t_0 = time.time()
+ sim_1 = self.canvas.getIq(0.01)
+ delta_1 = time.time()-t_0
+
+ self.canvas.setParam('lores_density', 0.1)
+
+ t_0 = time.time()
+ sim_2 = self.canvas.getIq(0.01)
+ delta_2 = time.time()-t_0
+
+ self.assert_((delta_2-delta_1)/delta_1<0.05)
+
+
+ def testGetPr(self):
+ """Compare the output of P(r) to the theoretical value"""
+ #TODO: find a way to compare you P(r) to the known
+ # analytical value.
+ pass
+
+ def testLogic1(self):
+ """ Test that the internal logic is set so that the user
+ get the right output after changing a parameter
+ """
+
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, 10.0)
+ result_1 = self.canvas.getIq(0.1)
+ self.canvas.setParam('%s.radius' % handle, 20.0)
+ result_2 = self.canvas.getIq(0.1)
+ self.assertNotAlmostEqual(result_1, result_2, 2)
+
+class TestCanvas(unittest.TestCase):
+ """ Unit tests for all shapes in canvas model """
+
+ def setUp(self):
+ self.canvas = VolumeCanvas.VolumeCanvas()
+ self.canvas.params['lores_density'] = 0.05
+
+ def testGetIq_cylinder(self):
+ handle = self.canvas.add('cylinder','cyl')
+ self.canvas.setParam('%s.radius' % handle, 15.0)
+ self.canvas.setParam('%s.length' % handle, 50.0)
+ self.assertEqual(50,self.canvas.getParam('%s.length'%handle))
+ result_1 = self.canvas.getIq(0.1)
+ result_2 = self.canvas.getIq(0.1)
+ self.assertEqual(result_1,result_2)
+
+ self.canvas.delete(handle)
+ handle2 = self.canvas.add('cylinder','cyl2')
+ self.assertEqual(40,self.canvas.getParam('%s.length'%handle2))
+ result_3 = self.canvas.getIq(0.1)
+ self.assertNotEqual(result_1, result_3)
+
+ def testGetIq_ellipsoid(self):
+ handle = self.canvas.add('ellipsoid','elli')
+ self.canvas.setParam('%s.radius_x' % handle, 35)
+ self.canvas.setParam('%s.radius_y' % handle, 20)
+ self.canvas.setParam('%s.radius_z' % handle, 10)
+ result_1 = self.canvas.getIq(0.1)
+ result_2 = self.canvas.getIq(0.1)
+ self.assertEqual(result_1,result_2)
+
+ self.canvas.delete(handle)
+ self.assertEqual(False,self.canvas.hasPr)
+ handle2 = self.canvas.add('ellipsoid','elli2')
+ result_3 = self.canvas.getIq(0.1)
+ self.assertNotEqual(result_1, result_3)
+
+ def testGetIq_singlehelix(self):
+ handle = self.canvas.add('singlehelix','shelix')
+ self.canvas.setParam('%s.radius_helix' % handle, 11)
+ self.canvas.setParam('%s.radius_tube' % handle, 4)
+ self.canvas.setParam('%s.pitch' % handle, 30)
+ self.canvas.setParam('%s.turns' % handle, 3.2)
+ result_1 = self.canvas.getIq(0.1)
+ result_2 = self.canvas.getIq(0.1)
+ self.assertEqual(result_1,result_2)
+
+ self.canvas.delete(handle)
+ self.assertEqual(False,self.canvas.hasPr)
+ handle2 = self.canvas.add('singlehelix','shelix2')
+ result_3 = self.canvas.getIq(0.1)
+ self.assertNotEqual(result_1, result_3)
+
+class TestOrdering(unittest.TestCase):
+ """ Unit tests for all shapes in canvas model """
+
+ def setUp(self):
+ from sas.models.CoreShellModel import CoreShellModel
+ radius = 15
+ thickness = 5
+ core_vol = 4.0/3.0*math.pi*radius*radius*radius
+ outer_radius = radius+thickness
+ shell_vol = 4.0/3.0*math.pi*outer_radius*outer_radius*outer_radius - core_vol
+ self.shell_sld = -1.0*core_vol/shell_vol
+
+ self.canvas = VolumeCanvas.VolumeCanvas()
+ self.canvas.params['lores_density'] = 0.1
+
+ # Core shell model
+ sphere = CoreShellModel()
+ # Core radius
+ sphere.setParam('radius', radius)
+ # Shell thickness
+ sphere.setParam('thickness', thickness)
+ sphere.setParam('core_sld', 1.0)
+ sphere.setParam('shell_sld', self.shell_sld)
+ sphere.setParam('solvent_sld', 0.0)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+ self.sphere = sphere
+ self.radius = radius
+ self.outer_radius = outer_radius
+
+ def set_coreshell_on_canvas(self, order1=None, order2=None):
+
+ handle = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle, self.outer_radius)
+ self.canvas.setParam('%s.contrast' % handle, self.shell_sld)
+ if not order1 == None:
+ self.canvas.setParam('%s.order' % handle, order1)
+
+ handle2 = self.canvas.add('sphere')
+ self.canvas.setParam('%s.radius' % handle2, self.radius)
+ self.canvas.setParam('%s.contrast' % handle2, 1.0)
+ if not order2 == None:
+ self.canvas.setParam('%s.order' % handle2, order2)
+
+ self.canvas.setParam('scale' , 1.0)
+ self.canvas.setParam('background' , 0.0)
+
+
+ def testDefaultOrder(self):
+ self.set_coreshell_on_canvas()
+
+ ana = self.sphere.run(0.05)
+ val, err = self.canvas.getIqError(0.05)
+ self.assert_(math.fabs(ana-val)<2.0*err)
+
+ def testRightOrder(self):
+ self.set_coreshell_on_canvas(3.0, 6.0)
+
+ ana = self.sphere.run(0.05)
+ val, err = self.canvas.getIqError(0.05)
+ #print 'right', ana, val, err
+ self.assert_(math.fabs(ana-val)/ana < 1.1)
+
+ def testWrongOrder(self):
+ from sas.models.SphereModel import SphereModel
+ self.set_coreshell_on_canvas(1, 0)
+
+ # Core shell model
+ sphere = SphereModel()
+ # Core radius
+ sphere.setParam('radius', self.outer_radius)
+ # Shell thickness
+ sphere.setParam('contrast', self.shell_sld)
+ sphere.setParam('background', 0.0)
+ sphere.setParam('scale', 1.0)
+
+ ana = sphere.run(0.05)
+ val, err = self.canvas.getIqError(0.05)
+ #print 'wrong', ana, val, err
+ self.assert_(math.fabs(ana-val)/ana < 1.1)
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/test/utest_sasview.py b/test/utest_sasview.py
new file mode 100644
index 0000000..15994d2
--- /dev/null
+++ b/test/utest_sasview.py
@@ -0,0 +1,102 @@
+#!/usr/bin/env python
+import os
+import subprocess
+import re
+import sys
+try:
+ import xmlrunner
+except:
+ print "xmlrunner needs to be installed to run these tests"
+ print "Try easy_install unittest-xml-reporting"
+ sys.exit(1)
+
+# Check whether we have matplotlib installed
+HAS_MPL_WX = True
+try:
+ import matplotlib
+ import wx
+except:
+ HAS_MPL_WX = False
+
+SKIPPED_DIRS = ["sasrealspace", "calculatorview"]
+if not HAS_MPL_WX:
+ SKIPPED_DIRS.append("sasguiframe")
+
+#COMMAND_SEP = ';'
+#if os.name == 'nt':
+# COMMAND_SEP = '&'
+
+def run_tests(dirs=None, all=False):
+ test_root = os.path.abspath(os.path.dirname(__file__))
+ run_one_py = os.path.join(test_root, 'run_one.py')
+ passed = 0
+ failed = 0
+ n_tests = 0
+ n_errors = 0
+ n_failures = 0
+
+ for d in (dirs if dirs else os.listdir(test_root)):
+
+ # Check for modules to be skipped
+ if d in SKIPPED_DIRS:
+ continue
+
+ # Go through modules looking for unit tests
+ module_dir = os.path.join(test_root, d, "test")
+ if os.path.isdir(module_dir):
+ for f in os.listdir(module_dir):
+ file_path = os.path.join(module_dir,f)
+ if os.path.isfile(file_path) and f.startswith("utest_") and f.endswith(".py"):
+ module_name,_ = os.path.splitext(f)
+ code = '"%s" %s %s'%(sys.executable, run_one_py, file_path)
+ proc = subprocess.Popen(code, shell=True, stdout=subprocess.PIPE, stderr = subprocess.STDOUT)
+ std_out, std_err = proc.communicate()
+ #print std_out
+ #sys.exit()
+ has_failed = True
+ m = re.search("Ran ([0-9]+) test", std_out)
+ if m is not None:
+ has_failed = False
+ n_tests += int(m.group(1))
+
+ m = re.search("FAILED \(errors=([0-9]+)\)", std_out)
+ if m is not None:
+ has_failed = True
+ n_errors += int(m.group(1))
+
+ m = re.search("FAILED \(failures=([0-9]+)\)", std_out)
+ if m is not None:
+ has_failed = True
+ n_failures += int(m.group(1))
+
+ if has_failed:
+ failed += 1
+ print "Result for %s (%s): FAILED" % (module_name, module_dir)
+ print std_out
+ else:
+ passed += 1
+ print "Result for %s: SUCCESS" % module_name
+
+ print "\n----------------------------------------------"
+ if n_tests == 0:
+ print "No tests."
+ else:
+ print "Results by test modules:"
+ print " PASSED: %d" % passed
+ ratio = 100.0*failed/(failed+passed)
+ print " FAILED: %d (%.0f%%)" % (failed,ratio)
+
+ print "Results by tests:"
+ print " Tests run: %d" % n_tests
+ print " Tests failed: %d" % n_failures
+ print " Test errors: %d" % n_errors
+ print "----------------------------------------------"
+
+ return failed
+
+if __name__ == '__main__':
+ all = (len(sys.argv) > 1 and sys.argv[1] == '-all')
+ dirs = sys.argv[1:] if not all else sys.argv[2:]
+ if run_tests(dirs=dirs, all=all)>0:
+ sys.exit(1)
+
--
Alioth's /usr/local/bin/git-commit-notice on /srv/git.debian.org/git/debian-science/packages/sasview.git
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