easydiffraction 0.9.0__tar.gz → 0.9.1__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.
Files changed (350) hide show
  1. easydiffraction-0.9.1/.github/workflows/backmerge-pr.yaml +81 -0
  2. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/PKG-INFO +1 -1
  3. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/utils/logging.py +1 -1
  4. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/tools/tweak_notebooks.py +1 -1
  5. easydiffraction-0.9.0/.github/workflows/backmerge-pr.yaml +0 -97
  6. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.badgery.yaml +0 -0
  7. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/cleanup.yaml +0 -0
  8. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/coverage.yaml +0 -0
  9. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/dashboard.yaml +0 -0
  10. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/docs.yaml +0 -0
  11. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/labels.yaml +0 -0
  12. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/pypi-publish.yaml +0 -0
  13. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/pypi-test.yaml +0 -0
  14. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/quality.yaml +0 -0
  15. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/release-notes.yaml +0 -0
  16. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/release-pr.yaml +0 -0
  17. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/security.yaml +0 -0
  18. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/test-trigger.yaml +0 -0
  19. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/test.yaml +0 -0
  20. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/tutorial-tests-colab.yaml +0 -0
  21. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/tutorial-tests-trigger.yaml +0 -0
  22. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.github/workflows/tutorial-tests.yaml +0 -0
  23. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.gitignore +0 -0
  24. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.pre-commit-config.yaml +0 -0
  25. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/.prettierignore +0 -0
  26. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/CONTRIBUTING.md +0 -0
  27. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/DEVELOPMENT.md +0 -0
  28. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/LICENSE +0 -0
  29. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/README.md +0 -0
  30. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/deps/pycrysfml-0.1.6-py312-none-macosx_14_0_arm64.whl +0 -0
  31. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/deps/pycrysfml-0.1.6-py312-none-win_amd64.whl +0 -0
  32. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/analysis.md +0 -0
  33. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/core.md +0 -0
  34. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/crystallography.md +0 -0
  35. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/display.md +0 -0
  36. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/experiments.md +0 -0
  37. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/index.md +0 -0
  38. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/io.md +0 -0
  39. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/project.md +0 -0
  40. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/sample_models.md +0 -0
  41. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/summary.md +0 -0
  42. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/api-reference/utils.md +0 -0
  43. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/architecture/package-structure-full.md +0 -0
  44. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/architecture/package-structure-short.md +0 -0
  45. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/assets/images/user-guide/data-acquisition_2d-raw-data.jpg +0 -0
  46. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/assets/images/user-guide/data-acquisition_instrument.png +0 -0
  47. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/assets/images/user-guide/data-analysis_model.png +0 -0
  48. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/assets/images/user-guide/data-analysis_refinement.png +0 -0
  49. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/assets/images/user-guide/data-reduction_1d-pattern.png +0 -0
  50. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/index.md +0 -0
  51. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/installation-and-setup/index.md +0 -0
  52. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/introduction/index.md +0 -0
  53. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/mkdocs.yml +0 -0
  54. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/tutorials/index.md +0 -0
  55. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/analysis-workflow/analysis.md +0 -0
  56. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/analysis-workflow/experiment.md +0 -0
  57. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/analysis-workflow/index.md +0 -0
  58. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/analysis-workflow/model.md +0 -0
  59. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/analysis-workflow/project.md +0 -0
  60. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/analysis-workflow/summary.md +0 -0
  61. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/concept.md +0 -0
  62. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/data-format.md +0 -0
  63. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/first-steps.md +0 -0
  64. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/glossary.md +0 -0
  65. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/index.md +0 -0
  66. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/_diffrn_radiation.md +0 -0
  67. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/_diffrn_radiation_wavelength.md +0 -0
  68. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/_exptl_crystal.md +0 -0
  69. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/_extinction.md +0 -0
  70. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/_pd_calib.md +0 -0
  71. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/atom_site.md +0 -0
  72. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/background.md +0 -0
  73. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/cell.md +0 -0
  74. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/expt_type.md +0 -0
  75. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/instrument.md +0 -0
  76. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/linked_phases.md +0 -0
  77. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/pd_meas.md +0 -0
  78. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/peak.md +0 -0
  79. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters/space_group.md +0 -0
  80. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/docs/user-guide/parameters.md +0 -0
  81. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/pixi.lock +0 -0
  82. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/pixi.toml +0 -0
  83. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/prettierrc.toml +0 -0
  84. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/pycrysfml.md +0 -0
  85. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/pyproject.toml +0 -0
  86. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/pytest.ini +0 -0
  87. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/__init__.py +0 -0
  88. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/__main__.py +0 -0
  89. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/__init__.py +0 -0
  90. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/analysis.py +0 -0
  91. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/calculators/__init__.py +0 -0
  92. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/calculators/base.py +0 -0
  93. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/calculators/crysfml.py +0 -0
  94. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/calculators/cryspy.py +0 -0
  95. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/calculators/factory.py +0 -0
  96. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/calculators/pdffit.py +0 -0
  97. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/categories/__init__.py +0 -0
  98. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/categories/aliases.py +0 -0
  99. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/categories/constraints.py +0 -0
  100. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/categories/joint_fit_experiments.py +0 -0
  101. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/fit_helpers/__init__.py +0 -0
  102. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/fit_helpers/metrics.py +0 -0
  103. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/fit_helpers/reporting.py +0 -0
  104. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/fit_helpers/tracking.py +0 -0
  105. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/fitting.py +0 -0
  106. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/minimizers/__init__.py +0 -0
  107. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/minimizers/base.py +0 -0
  108. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/minimizers/dfols.py +0 -0
  109. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/minimizers/factory.py +0 -0
  110. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/analysis/minimizers/lmfit.py +0 -0
  111. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/__init__.py +0 -0
  112. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/category.py +0 -0
  113. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/collection.py +0 -0
  114. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/datablock.py +0 -0
  115. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/diagnostic.py +0 -0
  116. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/factory.py +0 -0
  117. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/guard.py +0 -0
  118. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/identity.py +0 -0
  119. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/parameters.py +0 -0
  120. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/singletons.py +0 -0
  121. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/core/validation.py +0 -0
  122. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/crystallography/__init__.py +0 -0
  123. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/crystallography/crystallography.py +0 -0
  124. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/crystallography/space_groups.pkl.gz +0 -0
  125. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/crystallography/space_groups.py +0 -0
  126. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/__init__.py +0 -0
  127. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/base.py +0 -0
  128. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/plotters/__init__.py +0 -0
  129. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/plotters/ascii.py +0 -0
  130. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/plotters/base.py +0 -0
  131. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/plotters/plotly.py +0 -0
  132. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/plotting.py +0 -0
  133. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/tablers/__init__.py +0 -0
  134. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/tablers/base.py +0 -0
  135. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/tablers/pandas.py +0 -0
  136. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/tablers/rich.py +0 -0
  137. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/tables.py +0 -0
  138. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/display/utils.py +0 -0
  139. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/__init__.py +0 -0
  140. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/__init__.py +0 -0
  141. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/background/__init__.py +0 -0
  142. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/background/base.py +0 -0
  143. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/background/chebyshev.py +0 -0
  144. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/background/enums.py +0 -0
  145. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/background/factory.py +0 -0
  146. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/background/line_segment.py +0 -0
  147. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/data/bragg_pd.py +0 -0
  148. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/data/bragg_sc.py +0 -0
  149. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/data/factory.py +0 -0
  150. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/data/total.py +0 -0
  151. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/excluded_regions.py +0 -0
  152. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/experiment_type.py +0 -0
  153. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/instrument/__init__.py +0 -0
  154. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/instrument/base.py +0 -0
  155. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/instrument/cwl.py +0 -0
  156. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/instrument/factory.py +0 -0
  157. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/instrument/tof.py +0 -0
  158. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/linked_phases.py +0 -0
  159. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/__init__.py +0 -0
  160. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/base.py +0 -0
  161. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/cwl.py +0 -0
  162. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/cwl_mixins.py +0 -0
  163. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/factory.py +0 -0
  164. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/tof.py +0 -0
  165. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/tof_mixins.py +0 -0
  166. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/total.py +0 -0
  167. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/categories/peak/total_mixins.py +0 -0
  168. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/__init__.py +0 -0
  169. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/base.py +0 -0
  170. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/bragg_pd.py +0 -0
  171. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/bragg_sc.py +0 -0
  172. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/enums.py +0 -0
  173. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/factory.py +0 -0
  174. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/instrument_mixin.py +0 -0
  175. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiment/total_pd.py +0 -0
  176. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/experiments/experiments.py +0 -0
  177. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/io/__init__.py +0 -0
  178. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/io/cif/__init__.py +0 -0
  179. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/io/cif/handler.py +0 -0
  180. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/io/cif/parse.py +0 -0
  181. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/io/cif/serialize.py +0 -0
  182. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/project/__init__.py +0 -0
  183. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/project/project.py +0 -0
  184. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/project/project_info.py +0 -0
  185. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/sample_models/__init__.py +0 -0
  186. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/sample_models/categories/__init__.py +0 -0
  187. {easydiffraction-0.9.0 → easydiffraction-0.9.1}/src/easydiffraction/sample_models/categories/atom_sites.py +0 -0
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@@ -0,0 +1,81 @@
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+ # This workflow creates a backmerge PR into `develop` whenever a new version tag is pushed (v*).
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+ #
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+ # Key points:
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+ # - Creates a PR from `master` to `develop` when a new tag is pushed.
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+ # - The PR is auto-merged using a MERGE COMMIT (not squash) via a GitHub App token.
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+ # The GitHub App must be added to the develop ruleset bypass list.
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+ #
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+ # Required repo config:
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+ # https://github.com/organizations/easyscience/settings/secrets/actions
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+ # https://github.com/organizations/easyscience/settings/variables/actions
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+ # - Actions secret: ES_BACKMERGE_PRIVATE_KEY (GitHub App private key PEM)
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+ # - Actions variable: ES_BACKMERGE_APP_ID (GitHub App ID)
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+
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+ name: Backmerge PR (master -> develop)
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+
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+ on:
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+ push:
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+ tags: ['v*']
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+
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+ permissions:
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+ contents: write
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+ pull-requests: write
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+
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+ jobs:
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+ create-backmerge-pr:
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+ runs-on: ubuntu-latest
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+
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+ steps:
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+ - name: Create GitHub App installation token
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+ id: app-token
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+ uses: actions/create-github-app-token@v2
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+ with:
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+ app-id: ${{ vars.BACKMERGE_APP_ID }}
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+ private-key: ${{ secrets.BACKMERGE_PRIVATE_KEY }}
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+
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+ - name: Checkout repository
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+ uses: actions/checkout@v5
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+ with:
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+ fetch-depth: 0
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+ token: ${{ steps.app-token.outputs.token }}
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+
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+ - name: Create PR from master to develop (or reuse if exists)
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+ id: pr
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+ run: |
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+ set -euo pipefail
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+
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+ TAG='${{ github.ref_name }}'
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+
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+ TITLE="Backmerge: ${TAG} from master into develop"
50
+
51
+ BODY="⚠️ This PR is created automatically for backmerge of the release tag \`${TAG}\` from \`master\` into \`develop\`.
52
+
53
+ It is labeled \`[maintainer] auto-pull-request\` and is excluded from release notes and version bump logic."
54
+
55
+ # Check if a PR from master to develop already exists
56
+ EXISTING_PR=$(gh pr list --repo "${{ github.repository }}" --base develop --head master --state open --json number --jq '.[0].number // empty')
57
+
58
+ if [ -n "$EXISTING_PR" ]; then
59
+ echo "PR #${EXISTING_PR} already exists for master -> develop"
60
+ echo "pr_number=${EXISTING_PR}" >> "$GITHUB_OUTPUT"
61
+ else
62
+ PR_URL=$(gh pr create \
63
+ --repo "${{ github.repository }}" \
64
+ --base develop \
65
+ --head master \
66
+ --title "$TITLE" \
67
+ --label "[maintainer] auto-pull-request" \
68
+ --body "$BODY")
69
+ PR_NUMBER=$(echo "$PR_URL" | grep -oE '[0-9]+$')
70
+ echo "Created PR #${PR_NUMBER}"
71
+ echo "pr_number=${PR_NUMBER}" >> "$GITHUB_OUTPUT"
72
+ fi
73
+ env:
74
+ GH_TOKEN: ${{ steps.app-token.outputs.token }}
75
+
76
+ - name: Enable auto-merge using MERGE COMMIT
77
+ run: |
78
+ set -euo pipefail
79
+ gh pr merge --repo "${{ github.repository }}" --merge --auto "${{ steps.pr.outputs.pr_number }}"
80
+ env:
81
+ GH_TOKEN: ${{ steps.app-token.outputs.token }}
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: easydiffraction
3
- Version: 0.9.0
3
+ Version: 0.9.1
4
4
  Summary: Diffraction data analysis
5
5
  Project-URL: homepage, https://easydiffraction.org
6
6
  Project-URL: documentation, https://docs.easydiffraction.org/lib
@@ -555,7 +555,7 @@ class ConsolePrinter:
555
555
  """Formats a section header with bold green text."""
556
556
  full_title = f'{title.upper()}'
557
557
  line = '━' * len(full_title)
558
- formatted = f'[bold green]{full_title}\n{line}[/bold green]'
558
+ formatted = f'[bold green]\n{line}\n{full_title}\n{line}[/bold green]'
559
559
  if not in_jupyter():
560
560
  formatted = f'\n{formatted}'
561
561
  cls._console.print(formatted)
@@ -53,7 +53,7 @@ def _get_bootstrap_source() -> str:
53
53
  '\n'
54
54
  "if (hasattr(builtins, '__IPYTHON__') and\n"
55
55
  " importlib.util.find_spec('easydiffraction') is None):\n"
56
- f" !pip install '{pip_specifier}'\n"
56
+ f" !pip install '{pip_specifier}'"
57
57
  )
58
58
 
59
59
 
@@ -1,97 +0,0 @@
1
- # This workflow creates a backmerge PR into `develop` whenever a new version tag is pushed (v*).
2
- #
3
- # Key points:
4
- # - The PR head is a temporary branch that points at the *tag commit* (refs/tags/vX.Y.Z).
5
- # After merging, `develop` can `git describe` as vX.Y.Z-... because the tag commit becomes an ancestor.
6
- # - The PR is auto-merged using a MERGE COMMIT (not squash) via a GitHub App token.
7
- # The GitHub App must be added to the develop ruleset bypass list.
8
- #
9
- # Required repo config:
10
- # https://github.com/organizations/easyscience/settings/secrets/actions
11
- # https://github.com/organizations/easyscience/settings/variables/actions
12
- # - Actions secret: ES_BACKMERGE_PRIVATE_KEY (GitHub App private key PEM)
13
- # - Actions variable: ES_BACKMERGE_APP_ID (GitHub App ID)
14
-
15
- name: Backmerge PR (tag -> develop)
16
-
17
- on:
18
- push:
19
- tags: ['v*']
20
-
21
- permissions:
22
- contents: write
23
- pull-requests: write
24
-
25
- jobs:
26
- create-backmerge-pr:
27
- runs-on: ubuntu-latest
28
-
29
- steps:
30
- - name: Create GitHub App installation token
31
- id: app-token
32
- uses: actions/create-github-app-token@v2
33
- with:
34
- app-id: ${{ vars.BACKMERGE_APP_ID }}
35
- private-key: ${{ secrets.BACKMERGE_PRIVATE_KEY }}
36
-
37
- - name: Checkout tag commit
38
- uses: actions/checkout@v5
39
- with:
40
- ref: ${{ github.ref }} # refs/tags/vX.Y.Z
41
- fetch-depth: 0
42
- token: ${{ steps.app-token.outputs.token }}
43
-
44
- - name: Create and push backmerge branch at tag
45
- id: vars
46
- run: |
47
- set -euo pipefail
48
-
49
- TAG='${{ github.ref_name }}'
50
- BRANCH="backmerge/${TAG}"
51
-
52
- echo "tag=${TAG}" >> "$GITHUB_OUTPUT"
53
- echo "branch=${BRANCH}" >> "$GITHUB_OUTPUT"
54
-
55
- git config user.name "github-actions[bot]"
56
- git config user.email "github-actions[bot]@users.noreply.github.com"
57
-
58
- # Create/move branch to point exactly at the tag commit
59
- git checkout -B "$BRANCH"
60
-
61
- # Push (force makes re-runs idempotent for the same tag)
62
- git push --force --set-upstream origin "$BRANCH"
63
- env:
64
- GITHUB_TOKEN: ${{ steps.app-token.outputs.token }}
65
-
66
- - name:
67
- Create PR from tag backmerge branch to develop (or reuse if exists)
68
- run: |
69
- set -euo pipefail
70
-
71
- TITLE="Backmerge: ${{ steps.vars.outputs.tag }} into develop"
72
-
73
- BODY="⚠️ This PR is created automatically for backmerge of a new release tag commit \`${{ steps.vars.outputs.tag }}\` into \`develop\`.
74
-
75
- It is labeled `[maintainer] auto-pull-request` and is excluded from release notes and version bump logic."
76
-
77
- if gh pr view --repo "${{ github.repository }}" --head "${{ steps.vars.outputs.branch }}" >/dev/null 2>&1; then
78
- echo "PR already exists for head=${{ steps.vars.outputs.branch }}"
79
- else
80
- gh pr create \
81
- --repo "${{ github.repository }}" \
82
- --base develop \
83
- --head "${{ steps.vars.outputs.branch }}" \
84
- --title "$TITLE" \
85
- --label "[maintainer] auto-pull-request" \
86
- --body "$BODY"
87
- fi
88
- env:
89
- GH_TOKEN: ${{ steps.app-token.outputs.token }}
90
-
91
- - name: Enable auto-merge using MERGE COMMIT
92
- run: |
93
- set -euo pipefail
94
- # Merge the PR identified by its head branch.
95
- gh pr merge --repo "${{ github.repository }}" --merge --auto "${{ steps.vars.outputs.branch }}"
96
- env:
97
- GH_TOKEN: ${{ steps.app-token.outputs.token }}
File without changes