easydiffraction 0.17.0__tar.gz โ 0.18.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- easydiffraction-0.18.0/.codecov.yml +31 -0
- easydiffraction-0.18.0/.codefactorignore +15 -0
- easydiffraction-0.18.0/.copier-answers.yml +26 -0
- easydiffraction-0.18.0/.github/workflows/coverage.yml +70 -0
- easydiffraction-0.18.0/.github/workflows/docs.yml +194 -0
- easydiffraction-0.18.0/.github/workflows/tutorial-tests.yml +64 -0
- easydiffraction-0.18.0/.gitignore +61 -0
- easydiffraction-0.18.0/.prettierignore +41 -0
- easydiffraction-0.18.0/PKG-INFO +134 -0
- easydiffraction-0.18.0/THIRD_PARTY_LICENSES.md +25 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/analysis-cif-fit-state.md +286 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/category-owner-sections.md +208 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/crysview-structure-visualization/crysview-threejs-demo.html +855 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/crysview-structure-visualization.md +742 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/display-ux.md +186 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/fit-mode-categories.md +803 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/fit-results-display-naming.md +336 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/help-discoverability.md +65 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/iucr-cif-tag-alignment.md +1164 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/minimizer-category-consolidation.md +496 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/minimizer-input-output-split.md +433 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/pattern-display-unification.md +92 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/plotting-docs-performance.md +466 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/project-facade-and-persistence.md +104 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/project-summary-rendering.md +2162 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/python-cif-category-correspondence.md +382 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/runtime-fit-results.md +43 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/selector-families.md +57 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/space-group-database/space_groups_overrides.yaml +11 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/space-group-database.md +576 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/switchable-category-api.md +65 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/switchable-category-owned-selectors.md +1055 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/undo-fit.md +320 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/value-selector-discovery.md +223 -0
- easydiffraction-0.18.0/docs/dev/adrs/accepted/wyckoff-letter-detection.md +742 -0
- easydiffraction-0.18.0/docs/dev/adrs/index.md +60 -0
- easydiffraction-0.18.0/docs/dev/adrs/suggestions/background-auto-estimate.md +532 -0
- easydiffraction-0.18.0/docs/dev/adrs/suggestions/cif-numeric-precision.md +129 -0
- easydiffraction-0.18.0/docs/dev/adrs/suggestions/documentation-ci-build.md +189 -0
- easydiffraction-0.18.0/docs/dev/adrs/suggestions/parameter-posterior-summary.md +345 -0
- easydiffraction-0.18.0/docs/dev/benchmarking/20260519-103251_darwin-arm64_py314_tutorial-benchmarks.csv +24 -0
- easydiffraction-0.18.0/docs/dev/benchmarking/20260519-103500_darwin-arm64_py314_tutorial-benchmarks.csv +24 -0
- easydiffraction-0.18.0/docs/dev/benchmarking/20260519-121524_darwin-arm64_py314_tutorial-benchmarks.csv +24 -0
- easydiffraction-0.18.0/docs/dev/benchmarking/20260525-231754_darwin-arm64_py314_tutorial-benchmarks.csv +26 -0
- easydiffraction-0.18.0/docs/dev/benchmarking/20260526-000646_darwin-arm64_py314_tutorial-benchmarks.csv +26 -0
- easydiffraction-0.18.0/docs/dev/benchmarking/20260531-230149_darwin-arm64_py314_tutorial-benchmarks.csv +26 -0
- easydiffraction-0.18.0/docs/dev/issues/closed.md +217 -0
- easydiffraction-0.18.0/docs/dev/issues/open.md +1982 -0
- easydiffraction-0.18.0/docs/dev/package-structure/full.md +710 -0
- easydiffraction-0.18.0/docs/dev/package-structure/short.md +357 -0
- easydiffraction-0.18.0/docs/dev/plans/background-auto-estimate.md +276 -0
- easydiffraction-0.18.0/docs/dev/plans/pattern-display-unification.md +151 -0
- easydiffraction-0.18.0/docs/dev/plans/plotting-docs-performance.md +370 -0
- easydiffraction-0.18.0/docs/dev/plans/python-cif-category-correspondence.md +104 -0
- easydiffraction-0.18.0/docs/dev/plans/space-group-database.md +524 -0
- easydiffraction-0.18.0/docs/dev/plans/wyckoff-letter-detection.md +556 -0
- easydiffraction-0.18.0/docs/docs/api-reference/index.md +26 -0
- easydiffraction-0.18.0/docs/docs/api-reference/report.md +1 -0
- easydiffraction-0.18.0/docs/docs/assets/javascripts/ed-figures.js +401 -0
- easydiffraction-0.18.0/docs/docs/assets/javascripts/extra.js +240 -0
- easydiffraction-0.18.0/docs/docs/assets/javascripts/vendor/plotly/LICENSES.md +13 -0
- easydiffraction-0.18.0/docs/docs/assets/javascripts/vendor/plotly/plotly-cartesian.min.js +146 -0
- easydiffraction-0.18.0/docs/docs/assets/stylesheets/extra.css +511 -0
- easydiffraction-0.18.0/docs/docs/cli/index.md +184 -0
- easydiffraction-0.18.0/docs/docs/index.md +27 -0
- easydiffraction-0.18.0/docs/docs/quick-reference/index.md +440 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-1.ipynb +320 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-1.py +123 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-10.ipynb +293 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-10.py +109 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-11.ipynb +323 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-11.py +120 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-12.ipynb +363 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-12.py +139 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-13.ipynb +2698 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-13.py +1522 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-14.ipynb +550 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-14.py +203 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-15.ipynb +457 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-15.py +148 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-16.ipynb +650 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-16.py +262 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-17.ipynb +883 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-17.py +405 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-18.ipynb +213 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-18.py +67 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-2.ipynb +565 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-2.py +237 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-20.ipynb +833 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-20.py +386 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-21.ipynb +783 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-21.py +364 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-22.ipynb +635 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-22.py +278 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-23.ipynb +290 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-23.py +110 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-24.ipynb +277 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-24.py +102 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-25.ipynb +769 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-25.py +357 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-26.ipynb +376 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-26.py +151 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-3.ipynb +1730 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-3.py +696 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-4.ipynb +744 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-4.py +328 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-5.ipynb +669 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-5.py +298 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-6.ipynb +862 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-6.py +352 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-7.ipynb +958 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-7.py +364 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-8.ipynb +745 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-8.py +368 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-9.ipynb +727 -0
- easydiffraction-0.18.0/docs/docs/tutorials/ed-9.py +312 -0
- easydiffraction-0.18.0/docs/docs/tutorials/index.json +177 -0
- easydiffraction-0.18.0/docs/docs/tutorials/index.md +150 -0
- easydiffraction-0.18.0/docs/docs/user-guide/analysis-workflow/analysis.md +435 -0
- easydiffraction-0.18.0/docs/docs/user-guide/analysis-workflow/experiment.md +599 -0
- easydiffraction-0.18.0/docs/docs/user-guide/analysis-workflow/index.md +36 -0
- easydiffraction-0.18.0/docs/docs/user-guide/analysis-workflow/model.md +299 -0
- easydiffraction-0.18.0/docs/docs/user-guide/analysis-workflow/project.md +293 -0
- easydiffraction-0.18.0/docs/docs/user-guide/analysis-workflow/report.md +116 -0
- easydiffraction-0.18.0/docs/docs/user-guide/concept.md +119 -0
- easydiffraction-0.18.0/docs/docs/user-guide/data-format.md +237 -0
- easydiffraction-0.18.0/docs/docs/user-guide/first-steps.md +189 -0
- easydiffraction-0.18.0/docs/docs/user-guide/index.md +24 -0
- easydiffraction-0.18.0/docs/docs/user-guide/parameters/expt_type.md +33 -0
- easydiffraction-0.18.0/docs/docs/user-guide/parameters/instrument.md +57 -0
- easydiffraction-0.18.0/docs/docs/user-guide/parameters/peak.md +69 -0
- easydiffraction-0.18.0/docs/docs/user-guide/parameters.md +292 -0
- easydiffraction-0.18.0/docs/mkdocs.yml +262 -0
- easydiffraction-0.18.0/docs/overrides/main.html +61 -0
- easydiffraction-0.18.0/pixi.lock +12863 -0
- easydiffraction-0.18.0/pixi.toml +337 -0
- easydiffraction-0.18.0/pyproject.toml +434 -0
- easydiffraction-0.18.0/src/easydiffraction/__init__.py +22 -0
- easydiffraction-0.18.0/src/easydiffraction/__main__.py +288 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/__init__.py +41 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/analysis.py +2995 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/calculators/crysfml.py +376 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/calculators/cryspy.py +1239 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/calculators/pdffit.py +177 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/__init__.py +35 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/aliases/default.py +149 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/constraints/default.py +194 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_parameter_correlations/default.py +179 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_parameters/default.py +428 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_result/__init__.py +7 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_result/base.py +162 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_result/bayesian.py +277 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_result/default.py +9 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fit_result/lsq.py +592 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fitting_mode/__init__.py +8 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fitting_mode/default.py +57 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/fitting_mode/factory.py +17 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/joint_fit/default.py +100 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/__init__.py +19 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/base.py +101 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/bayesian_base.py +229 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/bumps.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/bumps_amoeba.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/bumps_de.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/bumps_dream.py +44 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/bumps_lm.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/dfols.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/emcee.py +128 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/factory.py +18 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/lmfit.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/lmfit_least_squares.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/lmfit_leastsq.py +28 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/minimizer/lsq_base.py +58 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/sequential_fit/default.py +139 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/sequential_fit_extract/default.py +174 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/software/__init__.py +9 -0
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- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/software/default.py +85 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/categories/software/factory.py +17 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/enums.py +74 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/fit_helpers/__init__.py +8 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/fit_helpers/_diagnostics.py +174 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/fit_helpers/bayesian.py +786 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/fit_helpers/reporting.py +298 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/fitting.py +426 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/minimizers/__init__.py +14 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/minimizers/base.py +456 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/minimizers/bumps_dream.py +1028 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/minimizers/emcee.py +1271 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/minimizers/emcee_defaults.py +26 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/minimizers/enums.py +73 -0
- easydiffraction-0.18.0/src/easydiffraction/analysis/sequential.py +1335 -0
- easydiffraction-0.18.0/src/easydiffraction/core/__init__.py +8 -0
- easydiffraction-0.18.0/src/easydiffraction/core/category.py +271 -0
- easydiffraction-0.18.0/src/easydiffraction/core/collection.py +183 -0
- easydiffraction-0.18.0/src/easydiffraction/core/datablock.py +136 -0
- easydiffraction-0.18.0/src/easydiffraction/core/display_handler.py +30 -0
- easydiffraction-0.18.0/src/easydiffraction/core/errors.py +13 -0
- easydiffraction-0.18.0/src/easydiffraction/core/guard.py +269 -0
- easydiffraction-0.18.0/src/easydiffraction/core/posterior.py +45 -0
- easydiffraction-0.18.0/src/easydiffraction/core/singleton.py +138 -0
- easydiffraction-0.18.0/src/easydiffraction/core/switchable.py +104 -0
- easydiffraction-0.18.0/src/easydiffraction/core/units_vocabulary.py +69 -0
- easydiffraction-0.18.0/src/easydiffraction/core/validation.py +383 -0
- easydiffraction-0.18.0/src/easydiffraction/core/variable.py +837 -0
- easydiffraction-0.18.0/src/easydiffraction/crystallography/__init__.py +6 -0
- easydiffraction-0.18.0/src/easydiffraction/crystallography/crystallography.py +1122 -0
- easydiffraction-0.18.0/src/easydiffraction/crystallography/space_groups.json.gz +0 -0
- easydiffraction-0.18.0/src/easydiffraction/crystallography/space_groups.py +36 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/background/base.py +74 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/background/line_segment.py +204 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/calculator/__init__.py +10 -0
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- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/data/bragg_pd.py +777 -0
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- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/diffrn/default.py +167 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/excluded_regions/default.py +188 -0
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- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/extinction/base.py +57 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/extinction/becker_coppens.py +142 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py +140 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/instrument/tof.py +210 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/linked_crystal/default.py +104 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/linked_phases/default.py +108 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/peak/base.py +90 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/peak/cwl_mixins.py +378 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/peak/tof_mixins.py +622 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/peak/total_mixins.py +213 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/refln/__init__.py +12 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/refln/bragg_pd.py +327 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/refln/bragg_sc.py +527 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/categories/refln/factory.py +39 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/item/base.py +802 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/item/bragg_pd.py +196 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/experiment/item/factory.py +270 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/structure/categories/atom_site_aniso/default.py +278 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/structure/categories/atom_sites/default.py +866 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/structure/categories/cell/default.py +280 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/structure/categories/geom/__init__.py +4 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/structure/categories/geom/default.py +72 -0
- easydiffraction-0.18.0/src/easydiffraction/datablocks/structure/categories/geom/factory.py +17 -0
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- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/datablocks/structure/categories/test_atom_site_aniso.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/datablocks/structure/categories/test_cell.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/datablocks/structure/item/test_base.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/datablocks/structure/item/test_factory.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/datablocks/structure/test_collection.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/datablocks/structure/test_collection_coverage.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/plotters/test_base.py +0 -0
- {easydiffraction-0.17.0/src/easydiffraction/summary โ easydiffraction-0.18.0/tests/unit/easydiffraction/display/tablers}/__init__.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/tablers/test_rich.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/test_base.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/test_plotting_coverage.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/test_progress.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/test_tables.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/display/test_utils.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/io/cif/test_parse.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/io/test_ascii.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/project/categories/info/test_default.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/project/categories/info/test_factory.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/project/categories/verbosity/test_default.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/project/categories/verbosity/test_factory.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/project/test_project_info.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/test___init__.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/utils/test_enums.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/utils/test_environment_coverage.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/utils/test_logging.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/utils/test_logging_coverage.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tests/unit/easydiffraction/utils/test_theme_detect.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/gen_tests_scaffold.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/generate_package_docs.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/license_headers.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/naming_check.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/param_consistency.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/test_scripts.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/update_docs_assets.py +0 -0
- {easydiffraction-0.17.0 โ easydiffraction-0.18.0}/tools/update_github_labels.py +0 -0
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|
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# E.g., Matplotlib may print messages to stdout/stderr when first
|
|
109
|
+
# imported. This step allows to avoid "Matplotlib is building the font
|
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|
+
# cache" messages during notebook execution.
|
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111
|
+
- name: Pre-build site step
|
|
112
|
+
run: pixi run python -c "import easydiffraction"
|
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113
|
+
|
|
114
|
+
# Prepare the Jupyter notebooks for documentation (strip output, etc.).
|
|
115
|
+
- name: Prepare notebooks
|
|
116
|
+
run: pixi run notebook-prepare
|
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117
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+
|
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118
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+
# Execute all Jupyter notebooks to generate output cells (plots, tables, etc.).
|
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119
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# Uses multiple cores for parallel execution to speed up the process.
|
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120
|
+
- name: Run notebooks
|
|
121
|
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# if: false # Temporarily disabled to speed up the docs build
|
|
122
|
+
run: pixi run notebook-exec-ci
|
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123
|
+
|
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124
|
+
# Sync the canonical Three.js snapshot into the docs assets so
|
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125
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# MkDocs can serve it (belt-and-braces; docs-build also depends on
|
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126
|
+
# this task).
|
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+
- name: Sync vendored JS into docs assets
|
|
128
|
+
run: pixi run docs-sync-vendored-js
|
|
129
|
+
|
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130
|
+
# Build the static files for the documentation site for local inspection
|
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+
# Input: docs/ directory containing the Markdown files
|
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# Output: site/ directory containing the generated HTML files
|
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- name: Build site for local check
|
|
134
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+
run: pixi run docs-build-local
|
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135
|
+
|
|
136
|
+
# Upload the static files from the site/ directory to be used for
|
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+
# local check
|
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|
+
- name: Upload built site as artifact
|
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|
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uses: ./.github/actions/upload-artifact
|
|
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|
+
with:
|
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|
+
name: site-local_easydiffraction-lib-${{ env.RELEASE_VERSION }}
|
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|
+
path: docs/site/
|
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|
+
|
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+
# Create GitHub App token for pushing to gh-pages as easyscience[bot].
|
|
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+
- name: Setup easyscience[bot]
|
|
146
|
+
id: bot
|
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147
|
+
uses: ./.github/actions/setup-easyscience-bot
|
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|
+
with:
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app-id: ${{ vars.EASYSCIENCE_APP_ID }}
|
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+
private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
|
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+
|
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+
# Configure git identity and remote URL so mike pushes as easyscience[bot].
|
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+
- name: Configure git for pushing
|
|
154
|
+
run: |
|
|
155
|
+
set -euo pipefail
|
|
156
|
+
git config user.name "easyscience[bot]"
|
|
157
|
+
git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
|
|
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|
+
git remote set-url origin "https://x-access-token:${{ steps.bot.outputs.token }}@github.com/${{ github.repository }}.git"
|
|
159
|
+
|
|
160
|
+
# Fetch the gh-pages branch to ensure mike has the latest remote state.
|
|
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|
+
# This is required because the checkout step only fetches the source branch,
|
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|
+
# not the gh-pages branch that mike needs to update.
|
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- name: Fetch gh-pages branch
|
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|
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run: |
|
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|
+
git fetch origin gh-pages:gh-pages 2>/dev/null || true
|
|
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|
+
|
|
167
|
+
# Deploy versioned documentation using mike (MkDocs plugin for versioning).
|
|
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|
+
# - For release tags (v*): deploys to versioned folder (e.g., /0.9.1/) and aliases to /latest/.
|
|
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|
+
# - For branches: deploys to /dev/.
|
|
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|
+
# The "${RELEASE_VERSION#v}" syntax strips the 'v' prefix (v0.9.1 -> 0.9.1).
|
|
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|
+
# Also sets 'latest' as the default version for the version selector.
|
|
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|
+
- name: Rebuild and deploy docs with mike
|
|
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|
+
run: |
|
|
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|
+
# Exit on error (-e), undefined vars (-u), and pipeline failures (pipefail)
|
|
175
|
+
set -euo pipefail
|
|
176
|
+
|
|
177
|
+
REPO_NAME="${{ github.event.repository.name }}"
|
|
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|
+
BASE_URL="https://easyscience.github.io/${REPO_NAME}"
|
|
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|
+
|
|
180
|
+
# Deploy the release version and update the "latest" alias
|
|
181
|
+
if [[ "${IS_RELEASE_TAG}" == "true" ]]; then
|
|
182
|
+
pixi run docs-deploy-pre "${RELEASE_VERSION#v}" latest
|
|
183
|
+
pixi run docs-set-default-pre latest
|
|
184
|
+
DEPLOYMENT_URL="${BASE_URL}/latest"
|
|
185
|
+
|
|
186
|
+
# Deploy/update the "dev" alias (or whatever your convention is)
|
|
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|
+
else
|
|
188
|
+
pixi run docs-deploy-pre dev
|
|
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|
+
DEPLOYMENT_URL="${BASE_URL}/dev"
|
|
190
|
+
|
|
191
|
+
fi
|
|
192
|
+
|
|
193
|
+
# Add links to the action summary page for easy access
|
|
194
|
+
echo "๐ deployment url [${DEPLOYMENT_URL}](${DEPLOYMENT_URL})" >> "${GITHUB_STEP_SUMMARY}"
|
|
@@ -0,0 +1,64 @@
|
|
|
1
|
+
name: Tutorial tests
|
|
2
|
+
|
|
3
|
+
on:
|
|
4
|
+
# Trigger the workflow on push
|
|
5
|
+
push:
|
|
6
|
+
# Selected branches
|
|
7
|
+
branches: [develop] # master and main are already verified in PR
|
|
8
|
+
# Trigger the workflow on pull request
|
|
9
|
+
pull_request:
|
|
10
|
+
branches: ['**']
|
|
11
|
+
# Trigger the workflow on workflow_call (to be called from other workflows)
|
|
12
|
+
# Needed, as standard schedule triggers the master branch only, but we want
|
|
13
|
+
# to run this workflow on develop branch.
|
|
14
|
+
workflow_call:
|
|
15
|
+
# Allows you to run this workflow manually from the Actions tab
|
|
16
|
+
workflow_dispatch:
|
|
17
|
+
|
|
18
|
+
permissions:
|
|
19
|
+
contents: read
|
|
20
|
+
|
|
21
|
+
# Allow only one concurrent workflow, skipping runs queued between the run
|
|
22
|
+
# in-progress and latest queued. And cancel in-progress runs.
|
|
23
|
+
concurrency:
|
|
24
|
+
group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
|
|
25
|
+
cancel-in-progress: true
|
|
26
|
+
|
|
27
|
+
# Set the environment variables to be used in all jobs defined in this workflow
|
|
28
|
+
env:
|
|
29
|
+
CI_BRANCH: ${{ github.head_ref || github.ref_name }}
|
|
30
|
+
|
|
31
|
+
jobs:
|
|
32
|
+
# Job 1: Test tutorials as scripts and notebooks on multiple OS
|
|
33
|
+
tutorial-tests:
|
|
34
|
+
strategy:
|
|
35
|
+
fail-fast: false
|
|
36
|
+
matrix:
|
|
37
|
+
os: [ubuntu-latest, macos-latest, windows-latest]
|
|
38
|
+
|
|
39
|
+
runs-on: ${{ matrix.os }}
|
|
40
|
+
|
|
41
|
+
steps:
|
|
42
|
+
- name: Checkout repository
|
|
43
|
+
uses: actions/checkout@v6
|
|
44
|
+
|
|
45
|
+
- name: Set up pixi
|
|
46
|
+
uses: ./.github/actions/setup-pixi
|
|
47
|
+
|
|
48
|
+
- name: Test tutorials as python scripts
|
|
49
|
+
shell: bash
|
|
50
|
+
run: pixi run script-tests-checked
|
|
51
|
+
|
|
52
|
+
- name: Prepare notebooks
|
|
53
|
+
shell: bash
|
|
54
|
+
run: pixi run notebook-prepare
|
|
55
|
+
|
|
56
|
+
- name: Test tutorials as notebooks
|
|
57
|
+
shell: bash
|
|
58
|
+
run: pixi run notebook-tests-checked
|
|
59
|
+
|
|
60
|
+
# Job 2: Build and publish dashboard (reusable workflow)
|
|
61
|
+
run-reusable-workflows:
|
|
62
|
+
needs: tutorial-tests # depend on previous job
|
|
63
|
+
uses: ./.github/workflows/dashboard.yml
|
|
64
|
+
secrets: inherit
|
|
@@ -0,0 +1,61 @@
|
|
|
1
|
+
# Python
|
|
2
|
+
__pycache__/
|
|
3
|
+
.venv/
|
|
4
|
+
.coverage
|
|
5
|
+
.pyc
|
|
6
|
+
|
|
7
|
+
# Pixi
|
|
8
|
+
.pixi/
|
|
9
|
+
|
|
10
|
+
# PyInstaller
|
|
11
|
+
dist/
|
|
12
|
+
build/
|
|
13
|
+
*.spec
|
|
14
|
+
|
|
15
|
+
# MkDocs
|
|
16
|
+
docs/site/
|
|
17
|
+
|
|
18
|
+
# Generated docs-serving copy of the canonical Three.js (synced from
|
|
19
|
+
# src/ by `pixi run docs-sync-vendored-js`; the source of truth is src/)
|
|
20
|
+
docs/docs/assets/javascripts/vendor/threejs/
|
|
21
|
+
|
|
22
|
+
# Jupyter Notebooks
|
|
23
|
+
.ipynb_checkpoints
|
|
24
|
+
|
|
25
|
+
# Node
|
|
26
|
+
node_modules/
|
|
27
|
+
|
|
28
|
+
# QtCreator
|
|
29
|
+
*.autosave
|
|
30
|
+
*.qmlproject.user
|
|
31
|
+
*.qmlproject.user.*
|
|
32
|
+
*.pyproject.user
|
|
33
|
+
*.pyproject.user.*
|
|
34
|
+
CMakeLists.txt.user*
|
|
35
|
+
|
|
36
|
+
# PyCharm
|
|
37
|
+
.idea/
|
|
38
|
+
|
|
39
|
+
# VS Code
|
|
40
|
+
.vscode/
|
|
41
|
+
|
|
42
|
+
# macOS
|
|
43
|
+
.DS_Store
|
|
44
|
+
*.app
|
|
45
|
+
*.dmg
|
|
46
|
+
|
|
47
|
+
# Misc
|
|
48
|
+
.cache/
|
|
49
|
+
*.log
|
|
50
|
+
*.zip
|
|
51
|
+
|
|
52
|
+
# Agents
|
|
53
|
+
AGENTS.md
|
|
54
|
+
CLAUDE.md
|
|
55
|
+
|
|
56
|
+
# ED
|
|
57
|
+
# Used to fetch tutorials data during their runtime. Need to have '/' at
|
|
58
|
+
# the beginning to avoid ignoring 'data' module in the src/.
|
|
59
|
+
/data/
|
|
60
|
+
/projects/
|
|
61
|
+
/tmp/
|
|
@@ -0,0 +1,41 @@
|
|
|
1
|
+
# Git
|
|
2
|
+
.git/
|
|
3
|
+
|
|
4
|
+
# Copier
|
|
5
|
+
.copier-answers*.yml
|
|
6
|
+
|
|
7
|
+
# Pixi
|
|
8
|
+
.pixi
|
|
9
|
+
pixi.lock
|
|
10
|
+
|
|
11
|
+
# MkDocs
|
|
12
|
+
docs/overrides/
|
|
13
|
+
docs/site/
|
|
14
|
+
docs/docs/assets/
|
|
15
|
+
|
|
16
|
+
# Python
|
|
17
|
+
.pytest_cache/
|
|
18
|
+
|
|
19
|
+
# MyPy
|
|
20
|
+
.mypy_cache/
|
|
21
|
+
|
|
22
|
+
# Ruff
|
|
23
|
+
.ruff_cache/
|
|
24
|
+
|
|
25
|
+
# Node
|
|
26
|
+
node_modules
|
|
27
|
+
|
|
28
|
+
# Vendored snapshots
|
|
29
|
+
src/easydiffraction/display/structure/renderers/vendor/
|
|
30
|
+
src/easydiffraction/report/templates/html/vendor/
|
|
31
|
+
src/easydiffraction/report/templates/tex/styles/
|
|
32
|
+
src/easydiffraction/utils/_vendored/jupyter_dark_detect/
|
|
33
|
+
|
|
34
|
+
# Tox
|
|
35
|
+
.tox
|
|
36
|
+
|
|
37
|
+
# Misc
|
|
38
|
+
.benchmarks
|
|
39
|
+
.cache
|
|
40
|
+
deps/
|
|
41
|
+
tmp/
|
|
@@ -0,0 +1,134 @@
|
|
|
1
|
+
Metadata-Version: 2.4
|
|
2
|
+
Name: easydiffraction
|
|
3
|
+
Version: 0.18.0
|
|
4
|
+
Summary: Diffraction data analysis
|
|
5
|
+
Project-URL: Homepage, https://easydiffraction.org
|
|
6
|
+
Project-URL: Documentation, https://easyscience.github.io/diffraction-lib
|
|
7
|
+
Project-URL: Release Notes, https://github.com/easyscience/diffraction-lib/releases
|
|
8
|
+
Project-URL: Source Code, https://github.com/easyscience/diffraction-lib
|
|
9
|
+
Project-URL: Issue Tracker, https://github.com/easyscience/diffraction-lib/issues
|
|
10
|
+
Author: EasyScience contributors
|
|
11
|
+
License-Expression: BSD-3-Clause
|
|
12
|
+
License-File: LICENSE
|
|
13
|
+
Classifier: Intended Audience :: Science/Research
|
|
14
|
+
Classifier: License :: OSI Approved :: BSD License
|
|
15
|
+
Classifier: Operating System :: OS Independent
|
|
16
|
+
Classifier: Programming Language :: Python :: 3
|
|
17
|
+
Classifier: Programming Language :: Python :: 3 :: Only
|
|
18
|
+
Classifier: Programming Language :: Python :: 3.12
|
|
19
|
+
Classifier: Programming Language :: Python :: 3.13
|
|
20
|
+
Classifier: Programming Language :: Python :: 3.14
|
|
21
|
+
Classifier: Topic :: Scientific/Engineering
|
|
22
|
+
Requires-Python: >=3.12
|
|
23
|
+
Requires-Dist: asciichartpy
|
|
24
|
+
Requires-Dist: asteval
|
|
25
|
+
Requires-Dist: bumps
|
|
26
|
+
Requires-Dist: crysfml
|
|
27
|
+
Requires-Dist: cryspy
|
|
28
|
+
Requires-Dist: darkdetect
|
|
29
|
+
Requires-Dist: dfo-ls
|
|
30
|
+
Requires-Dist: diffpy-pdffit2
|
|
31
|
+
Requires-Dist: diffpy-utils
|
|
32
|
+
Requires-Dist: emcee
|
|
33
|
+
Requires-Dist: gemmi
|
|
34
|
+
Requires-Dist: h5py
|
|
35
|
+
Requires-Dist: lmfit
|
|
36
|
+
Requires-Dist: numpy
|
|
37
|
+
Requires-Dist: pandas
|
|
38
|
+
Requires-Dist: pillow
|
|
39
|
+
Requires-Dist: plotly
|
|
40
|
+
Requires-Dist: pooch
|
|
41
|
+
Requires-Dist: rich
|
|
42
|
+
Requires-Dist: scipy
|
|
43
|
+
Requires-Dist: sympy
|
|
44
|
+
Requires-Dist: typeguard
|
|
45
|
+
Requires-Dist: typer
|
|
46
|
+
Requires-Dist: uncertainties
|
|
47
|
+
Requires-Dist: varname
|
|
48
|
+
Provides-Extra: dev
|
|
49
|
+
Requires-Dist: build; extra == 'dev'
|
|
50
|
+
Requires-Dist: copier; extra == 'dev'
|
|
51
|
+
Requires-Dist: docstripy; extra == 'dev'
|
|
52
|
+
Requires-Dist: format-docstring; extra == 'dev'
|
|
53
|
+
Requires-Dist: gitpython; extra == 'dev'
|
|
54
|
+
Requires-Dist: interrogate; extra == 'dev'
|
|
55
|
+
Requires-Dist: jinja2; extra == 'dev'
|
|
56
|
+
Requires-Dist: jupyterquiz; extra == 'dev'
|
|
57
|
+
Requires-Dist: jupytext; extra == 'dev'
|
|
58
|
+
Requires-Dist: mike; extra == 'dev'
|
|
59
|
+
Requires-Dist: mkdocs; extra == 'dev'
|
|
60
|
+
Requires-Dist: mkdocs-autorefs; extra == 'dev'
|
|
61
|
+
Requires-Dist: mkdocs-jupyter; extra == 'dev'
|
|
62
|
+
Requires-Dist: mkdocs-markdownextradata-plugin; extra == 'dev'
|
|
63
|
+
Requires-Dist: mkdocs-material; extra == 'dev'
|
|
64
|
+
Requires-Dist: mkdocs-plugin-inline-svg; extra == 'dev'
|
|
65
|
+
Requires-Dist: mkdocstrings-python; extra == 'dev'
|
|
66
|
+
Requires-Dist: nbmake; extra == 'dev'
|
|
67
|
+
Requires-Dist: nbqa; extra == 'dev'
|
|
68
|
+
Requires-Dist: nbstripout; extra == 'dev'
|
|
69
|
+
Requires-Dist: pre-commit; extra == 'dev'
|
|
70
|
+
Requires-Dist: pydoclint; extra == 'dev'
|
|
71
|
+
Requires-Dist: pytest; extra == 'dev'
|
|
72
|
+
Requires-Dist: pytest-cov; extra == 'dev'
|
|
73
|
+
Requires-Dist: pytest-xdist; extra == 'dev'
|
|
74
|
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Requires-Dist: pyyaml; extra == 'dev'
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Description-Content-Type: text/markdown
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<p>
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<picture>
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<source media='(prefers-color-scheme: light)' srcset='https://raw.githubusercontent.com/easyscience/assets-branding/refs/heads/master/easydiffraction/logos/light.svg'>
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<img src='https://raw.githubusercontent.com/easyscience/assets-branding/refs/heads/master/easydiffraction/logos/light.svg' alt='EasyDiffraction'>
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**EasyDiffraction** is a software for calculating diffraction patterns
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based on a structural model and refining its parameters against
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experimental data.
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<!-- HOME REPOSITORY SECTION -->
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**EasyDiffraction** is developed both as a Python library and as a
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cross-platform desktop application.
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Here, we focus on the Python library. For the graphical user interface
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(GUI), please see the corresponding
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[GUI resources](https://github.com/easyscience/diffraction-app).
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License:
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[BSD 3-Clause](https://github.com/easyscience/diffraction-lib/blob/master/LICENSE)
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## Useful Links
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### For Users
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- ๐
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[Documentation](https://easyscience.github.io/diffraction-lib/latest)
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[Getting Started](https://easyscience.github.io/diffraction-lib/latest/introduction)
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- ๐งช
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[Tutorials](https://easyscience.github.io/diffraction-lib/latest/tutorials)
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- ๐ฌ
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[Get in Touch](https://easyscience.github.io/diffraction-lib/latest/introduction/#get-in-touch)
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- ๐งพ
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[Citation](https://easyscience.github.io/diffraction-lib/latest/introduction/#citation)
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### For Contributors
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- ๐งโ๐ป [Source Code](https://github.com/easyscience/diffraction-lib)
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- ๐
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[Issue Tracker](https://github.com/easyscience/diffraction-lib/issues)
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[Discussions](https://github.com/easyscience/diffraction-lib/discussions)
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[Contributing Guide](https://github.com/easyscience/diffraction-lib/blob/master/CONTRIBUTING.md)
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[Code of Conduct](https://github.com/easyscience/.github/blob/master/CODE_OF_CONDUCT.md)
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# Third-Party Licenses
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This file indexes third-party assets vendored in this repository.
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## Report LaTeX Styles
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`src/easydiffraction/report/templates/tex/styles/LICENSES.md`.
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## Report HTML Assets
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The vendored report HTML assets are documented in
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`src/easydiffraction/report/templates/html/vendor/LICENSES.md`.
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## Structure-View Three.js
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The vendored Three.js assets for the crysview structure view (MIT) are
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documented in
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`src/easydiffraction/display/structure/renderers/vendor/threejs/LICENSES.md`.
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## Structure-View Element Data
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The bundled per-element radii and colour palettes (with per-source
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provenance) are documented in
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`src/easydiffraction/display/structure/assets/LICENSES.md`.
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