easydiffraction 0.11.0__tar.gz → 0.11.1__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 (454) hide show
  1. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.copier-answers.yml +2 -2
  2. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/copilot-instructions.md +2 -2
  3. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/issues-labels.yml +3 -0
  4. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/pypi-test.yml +2 -2
  5. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/test.yml +2 -2
  6. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/PKG-INFO +2 -1
  7. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/architecture/architecture.md +2 -3
  8. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/installation-and-setup/index.md +89 -1
  9. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-1.ipynb +19 -0
  10. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-10.ipynb +19 -0
  11. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-11.ipynb +19 -0
  12. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-12.ipynb +19 -0
  13. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-13.ipynb +86 -352
  14. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-14.ipynb +19 -0
  15. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-15.ipynb +19 -0
  16. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-16.ipynb +19 -0
  17. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-17.ipynb +19 -0
  18. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-2.ipynb +19 -0
  19. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-3.ipynb +19 -0
  20. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-4.ipynb +19 -0
  21. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-5.ipynb +19 -0
  22. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-6.ipynb +19 -0
  23. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-7.ipynb +19 -0
  24. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-8.ipynb +19 -0
  25. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-9.ipynb +19 -0
  26. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/pixi.lock +1033 -1098
  27. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/pixi.toml +5 -5
  28. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/pyproject.toml +1 -0
  29. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/tools/tweak_notebooks.py +9 -14
  30. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.badgery.yaml +0 -0
  31. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.codefactorignore +0 -0
  32. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/actions/download-artifact/action.yml +0 -0
  33. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/actions/github-script/action.yml +0 -0
  34. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/actions/setup-easyscience-bot/action.yml +0 -0
  35. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/actions/setup-pixi/action.yml +0 -0
  36. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/actions/upload-artifact/action.yml +0 -0
  37. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/actions/upload-codecov/action.yml +0 -0
  38. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/configs/pages-deployment.json +0 -0
  39. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/configs/rulesets-develop.json +0 -0
  40. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/configs/rulesets-gh-pages.json +0 -0
  41. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/configs/rulesets-master.json +0 -0
  42. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/scripts/backmerge-conflict-issue.js +0 -0
  43. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/backmerge.yml +0 -0
  44. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/cleanup.yml +0 -0
  45. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/coverage.yml +0 -0
  46. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/dashboard.yml +0 -0
  47. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/docs.yml +0 -0
  48. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/lint-format.yml +0 -0
  49. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/pr-labels.yml +0 -0
  50. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/pypi-publish.yml +0 -0
  51. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/release-notes.yml +0 -0
  52. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/release-pr.yml +0 -0
  53. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/security.yml +0 -0
  54. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/test-trigger.yml +0 -0
  55. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/tutorial-tests-colab.yaml +0 -0
  56. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/tutorial-tests-trigger.yml +0 -0
  57. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.github/workflows/tutorial-tests.yml +0 -0
  58. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.gitignore +0 -0
  59. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.pre-commit-config.yaml +0 -0
  60. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/.prettierignore +0 -0
  61. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/CONTRIBUTING.md +0 -0
  62. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/LICENSE +0 -0
  63. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/README.md +0 -0
  64. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/codecov.yml +0 -0
  65. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/deps/pycrysfml-0.1.6-py312-none-macosx_14_0_arm64.whl +0 -0
  66. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/deps/pycrysfml-0.1.6-py312-none-win_amd64.whl +0 -0
  67. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/architecture/issues_closed.md +0 -0
  68. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/architecture/issues_open.md +0 -0
  69. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/architecture/package-structure-full.md +0 -0
  70. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/architecture/package-structure-short.md +0 -0
  71. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/analysis.md +0 -0
  72. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/core.md +0 -0
  73. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/crystallography.md +0 -0
  74. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/datablocks/experiment.md +0 -0
  75. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/datablocks/structure.md +0 -0
  76. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/display.md +0 -0
  77. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/index.md +0 -0
  78. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/io.md +0 -0
  79. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/project.md +0 -0
  80. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/summary.md +0 -0
  81. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/api-reference/utils.md +0 -0
  82. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/favicon.png +0 -0
  83. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/logo_dark.svg +0 -0
  84. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/logo_light.svg +0 -0
  85. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/user-guide/data-acquisition_2d-raw-data.jpg +0 -0
  86. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/user-guide/data-acquisition_instrument.png +0 -0
  87. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/user-guide/data-analysis_model.png +0 -0
  88. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/user-guide/data-analysis_refinement.png +0 -0
  89. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/images/user-guide/data-reduction_1d-pattern.png +0 -0
  90. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/javascripts/extra.js +0 -0
  91. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/javascripts/mathjax.js +0 -0
  92. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/assets/stylesheets/extra.css +0 -0
  93. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/index.md +0 -0
  94. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/introduction/index.md +0 -0
  95. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-1.py +0 -0
  96. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-10.py +0 -0
  97. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-11.py +0 -0
  98. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-12.py +0 -0
  99. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-13.py +0 -0
  100. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-14.py +0 -0
  101. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-15.py +0 -0
  102. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-16.py +0 -0
  103. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-17.py +0 -0
  104. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-2.py +0 -0
  105. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-3.py +0 -0
  106. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-4.py +0 -0
  107. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-5.py +0 -0
  108. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-6.py +0 -0
  109. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-7.py +0 -0
  110. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-8.py +0 -0
  111. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/ed-9.py +0 -0
  112. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/index.json +0 -0
  113. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/tutorials/index.md +0 -0
  114. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/analysis-workflow/analysis.md +0 -0
  115. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/analysis-workflow/experiment.md +0 -0
  116. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/analysis-workflow/index.md +0 -0
  117. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/analysis-workflow/model.md +0 -0
  118. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/analysis-workflow/project.md +0 -0
  119. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/analysis-workflow/summary.md +0 -0
  120. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/concept.md +0 -0
  121. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/data-format.md +0 -0
  122. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/first-steps.md +0 -0
  123. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/glossary.md +0 -0
  124. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/index.md +0 -0
  125. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/_diffrn_radiation.md +0 -0
  126. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/_diffrn_radiation_wavelength.md +0 -0
  127. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/_exptl_crystal.md +0 -0
  128. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/_extinction.md +0 -0
  129. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/_pd_calib.md +0 -0
  130. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/atom_site.md +0 -0
  131. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/background.md +0 -0
  132. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/cell.md +0 -0
  133. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/expt_type.md +0 -0
  134. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/instrument.md +0 -0
  135. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/linked_phases.md +0 -0
  136. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/pd_meas.md +0 -0
  137. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/peak.md +0 -0
  138. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters/space_group.md +0 -0
  139. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/docs/user-guide/parameters.md +0 -0
  140. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/includes/abbreviations.md +0 -0
  141. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/mkdocs.yml +0 -0
  142. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/overrides/.icons/app.svg +0 -0
  143. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/overrides/.icons/easydiffraction.svg +0 -0
  144. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/overrides/.icons/easyscience.svg +0 -0
  145. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/overrides/.icons/google-colab.svg +0 -0
  146. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/overrides/main.html +0 -0
  147. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/docs/overrides/partials/logo.html +0 -0
  148. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/prettierrc.toml +0 -0
  149. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/pycrysfml.md +0 -0
  150. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/__init__.py +0 -0
  151. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/__main__.py +0 -0
  152. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/__init__.py +0 -0
  153. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/analysis.py +0 -0
  154. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/calculators/__init__.py +0 -0
  155. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/calculators/base.py +0 -0
  156. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/calculators/crysfml.py +0 -0
  157. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/calculators/cryspy.py +0 -0
  158. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/calculators/factory.py +0 -0
  159. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/calculators/pdffit.py +0 -0
  160. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/__init__.py +0 -0
  161. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/aliases/__init__.py +0 -0
  162. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/aliases/default.py +0 -0
  163. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/aliases/factory.py +0 -0
  164. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/constraints/__init__.py +0 -0
  165. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/constraints/default.py +0 -0
  166. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/constraints/factory.py +0 -0
  167. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/fit_mode/__init__.py +0 -0
  168. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/fit_mode/enums.py +0 -0
  169. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/fit_mode/factory.py +0 -0
  170. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/fit_mode/fit_mode.py +0 -0
  171. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/joint_fit_experiments/__init__.py +0 -0
  172. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/joint_fit_experiments/default.py +0 -0
  173. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/categories/joint_fit_experiments/factory.py +0 -0
  174. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/fit_helpers/__init__.py +0 -0
  175. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/fit_helpers/metrics.py +0 -0
  176. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/fit_helpers/reporting.py +0 -0
  177. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/fit_helpers/tracking.py +0 -0
  178. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/fitting.py +0 -0
  179. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/minimizers/__init__.py +0 -0
  180. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/minimizers/base.py +0 -0
  181. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/minimizers/dfols.py +0 -0
  182. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/minimizers/factory.py +0 -0
  183. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/analysis/minimizers/lmfit.py +0 -0
  184. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/core/__init__.py +0 -0
  185. {easydiffraction-0.11.0 → easydiffraction-0.11.1}/src/easydiffraction/core/category.py +0 -0
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@@ -1,6 +1,6 @@
1
1
  # WARNING: Do not edit this file manually.
2
2
  # Any changes will be overwritten by Copier.
3
- _commit: v0.10.1-25-ga5301e9
3
+ _commit: v0.10.1-33-g0f85abf
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4
  _src_path: gh:easyscience/templates
5
5
  app_docs_url: https://easyscience.github.io/diffraction-app
6
6
  app_doi: 10.5281/zenodo.18163581
@@ -12,7 +12,7 @@ home_repo_name: diffraction
12
12
  lib_docs_url: https://easyscience.github.io/diffraction-lib
13
13
  lib_doi: 10.5281/zenodo.18163581
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14
  lib_package_name: easydiffraction
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- lib_python_max: '3.13'
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+ lib_python_max: '3.14'
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  lib_python_min: '3.11'
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  lib_repo_name: diffraction-lib
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  project_contact_email: support@easydiffraction.org
@@ -104,8 +104,8 @@
104
104
 
105
105
  - Jupyter notebooks (`docs/docs/tutorials/*.ipynb`) are **generated
106
106
  artifacts** — never edit them by hand. Edit only the corresponding
107
- `*.py` script, then run `pixi run notebook-convert` followed by
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- `pixi run notebook-prepare` to regenerate the notebook.
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+ `*.py` script, then run `pixi run notebook-prepare` to regenerate the
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+ notebook.
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109
 
110
110
  ## Changes
111
111
 
@@ -16,6 +16,9 @@ jobs:
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  runs-on: ubuntu-latest
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17
 
18
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  steps:
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+ - name: Checkout repository
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+ uses: actions/checkout@v5
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+
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  - name: Setup easyscience[bot]
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  id: bot
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  uses: ./.github/actions/setup-easyscience-bot
@@ -45,9 +45,9 @@ jobs:
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  - name: Init pixi project
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  run: pixi init easydiffraction
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- - name: Add Python 3.13 from Conda
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+ - name: Add Python 3.14 from Conda
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  working-directory: easydiffraction
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- run: pixi add "python=3.13"
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+ run: pixi add "python=3.14"
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51
 
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  - name: Add other Conda dependencies
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  working-directory: easydiffraction
@@ -44,8 +44,8 @@ concurrency:
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  # Set the environment variables to be used in all jobs defined in this workflow
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  env:
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  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
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- PY_VERSIONS: '3.11 3.13'
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- PIXI_ENVS: 'py-311-env py-313-env'
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+ PY_VERSIONS: '3.11 3.14'
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+ PIXI_ENVS: 'py-311-env py-314-env'
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  jobs:
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  # Job 1: Set up environment variables
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
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2
  Name: easydiffraction
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- Version: 0.11.0
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+ Version: 0.11.1
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4
  Summary: Diffraction data analysis
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  Project-URL: Homepage, https://easydiffraction.org
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  Project-URL: Documentation, https://easyscience.github.io/diffraction-lib
@@ -18,6 +18,7 @@ Classifier: Programming Language :: Python :: 3 :: Only
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  Classifier: Programming Language :: Python :: 3.11
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  Classifier: Programming Language :: Python :: 3.12
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  Classifier: Programming Language :: Python :: 3.13
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+ Classifier: Programming Language :: Python :: 3.14
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  Classifier: Topic :: Scientific/Engineering
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  Requires-Python: >=3.11
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  Requires-Dist: asciichartpy
@@ -771,9 +771,8 @@ All examples below are drawn from the actual tutorials (`tutorials/`).
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771
 
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  > **Notebook workflow:** Jupyter notebooks (`*.ipynb`) in
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  > `docs/docs/tutorials/` are generated artifacts. Edit only the
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- > corresponding `*.py` script, then run `pixi run notebook-convert`
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- > followed by `pixi run notebook-prepare` to regenerate the notebook.
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- > Never edit `*.ipynb` files by hand.
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+ > corresponding `*.py` script, then run `pixi run notebook-prepare` to
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+ > regenerate the notebook. Never edit `*.ipynb` files by hand.
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776
 
778
777
  ### 8.1 Project Setup
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@@ -4,7 +4,8 @@ icon: material/cog-box
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4
 
5
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  # :material-cog-box: Installation & Setup
6
6
 
7
- ## Requirements
7
+ **EasyDiffraction** is a cross-platform Python library compatible with
8
+ **Python 3.11** through **3.14**.
8
9
 
9
10
  EasyDiffraction is a cross-platform Python library compatible with
10
11
  **Python 3.11 through 3.13**.
@@ -13,6 +14,93 @@ installation.
13
14
 
14
15
  ## Environment Setup <small>optional</small> { #environment-setup data-toc-label="Environment Setup" }
15
16
 
17
+ - **Ease of use**: Pixi simplifies the installation process, making it
18
+ accessible even for users with limited experience in package management.
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+ - **Python version control**: Pixi allows specifying and managing different
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+ Python versions for each project, ensuring compatibility.
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+ - **Isolated environments**: Pixi creates isolated environments for each
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+ project, preventing conflicts between different package versions.
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+ - **PyPI and Conda support**: Pixi can install packages from both PyPI and
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+ Conda repositories, providing access to a wide range of libraries.
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+
26
+ An alternative installation method using the traditional **pip** package
27
+ manager is also provided.
28
+
29
+ ## Installing with Pixi <small>recommended</small> { #installing-with-pixi data-toc-label="Installing with Pixi" }
30
+
31
+ This section describes the simplest way to set up EasyDiffraction using
32
+ **Pixi**.
33
+
34
+ #### Installing Pixi
35
+
36
+ - Install Pixi by following the instructions on the
37
+ [official Pixi Installation Guide](https://pixi.prefix.dev/latest/installation).
38
+
39
+ #### Setting up EasyDiffraction with Pixi
40
+
41
+ <!-- prettier-ignore-start -->
42
+
43
+ - Choose a project location (local drive recommended).
44
+
45
+ ??? warning ":fontawesome-brands-windows: Windows + OneDrive"
46
+
47
+ We **do not recommend creating a Pixi project inside OneDrive or other
48
+ synced folders**.
49
+
50
+ By default, Pixi creates the virtual environment inside the project
51
+ directory (in `.pixi/`). On Windows, synced folders such as OneDrive
52
+ may cause file‑system issues (e.g., path-length limitations or
53
+ restricted link operations), which can lead to unexpected install
54
+ errors or environments being recreated.
55
+
56
+ Instead, create your project in a **local directory on your drive**
57
+ where you have full write permissions.
58
+
59
+ <!-- prettier-ignore-end -->
60
+
61
+ - Initialize a new Pixi project and navigate into it:
62
+ ```txt
63
+ pixi init easydiffraction
64
+ cd easydiffraction
65
+ ```
66
+ - Set the Python version for the Pixi environment (e.g., 3.14):
67
+ ```txt
68
+ pixi add python=3.14
69
+ ```
70
+ - Add EasyDiffraction to the Pixi environment from PyPI:
71
+ ```txt
72
+ pixi add --pypi easydiffraction
73
+ ```
74
+ - Add a Pixi task to run EasyDiffraction commands easily:
75
+ ```txt
76
+ pixi task add easydiffraction "python -m easydiffraction"
77
+ ```
78
+
79
+ #### Updating Pixi and EasyDiffraction
80
+
81
+ - To update all packages in the Pixi environment, including
82
+ EasyDiffraction:
83
+ ```txt
84
+ pixi update
85
+ ```
86
+ - To update Pixi itself to the latest version:
87
+ ```txt
88
+ pixi self-update
89
+ ```
90
+
91
+ #### Uninstalling Pixi
92
+
93
+ - Follow the
94
+ [official Pixi Guide](https://pixi.prefix.dev/latest/installation/#uninstall).
95
+
96
+ ## Classical Installation
97
+
98
+ This section describes how to install EasyDiffraction using the
99
+ traditional method with **pip**. It is assumed that you are familiar
100
+ with Python package management and virtual environments.
101
+
102
+ ### Environment Setup <small>optional</small> { #environment-setup data-toc-label="Environment Setup" }
103
+
16
104
  We recommend using a **virtual environment** to isolate dependencies and
17
105
  avoid conflicts with system-wide packages. If any issues arise, you can
18
106
  simply delete and recreate the environment.
@@ -1,5 +1,24 @@
1
1
  {
2
2
  "cells": [
3
+ {
4
+ "cell_type": "code",
5
+ "execution_count": null,
6
+ "id": "8dbf8e63",
7
+ "metadata": {
8
+ "tags": [
9
+ "hide-in-docs"
10
+ ]
11
+ },
12
+ "outputs": [],
13
+ "source": [
14
+ "# Check whether easydiffraction is installed; install it if needed.\n",
15
+ "# Required for remote environments such as Google Colab.\n",
16
+ "import importlib.util\n",
17
+ "\n",
18
+ "if importlib.util.find_spec('easydiffraction') is None:\n",
19
+ " %pip install easydiffraction"
20
+ ]
21
+ },
3
22
  {
4
23
  "cell_type": "markdown",
5
24
  "id": "0",
@@ -1,5 +1,24 @@
1
1
  {
2
2
  "cells": [
3
+ {
4
+ "cell_type": "code",
5
+ "execution_count": null,
6
+ "id": "f42176f2",
7
+ "metadata": {
8
+ "tags": [
9
+ "hide-in-docs"
10
+ ]
11
+ },
12
+ "outputs": [],
13
+ "source": [
14
+ "# Check whether easydiffraction is installed; install it if needed.\n",
15
+ "# Required for remote environments such as Google Colab.\n",
16
+ "import importlib.util\n",
17
+ "\n",
18
+ "if importlib.util.find_spec('easydiffraction') is None:\n",
19
+ " %pip install easydiffraction"
20
+ ]
21
+ },
3
22
  {
4
23
  "cell_type": "markdown",
5
24
  "id": "0",
@@ -1,5 +1,24 @@
1
1
  {
2
2
  "cells": [
3
+ {
4
+ "cell_type": "code",
5
+ "execution_count": null,
6
+ "id": "b38dbf4f",
7
+ "metadata": {
8
+ "tags": [
9
+ "hide-in-docs"
10
+ ]
11
+ },
12
+ "outputs": [],
13
+ "source": [
14
+ "# Check whether easydiffraction is installed; install it if needed.\n",
15
+ "# Required for remote environments such as Google Colab.\n",
16
+ "import importlib.util\n",
17
+ "\n",
18
+ "if importlib.util.find_spec('easydiffraction') is None:\n",
19
+ " %pip install easydiffraction"
20
+ ]
21
+ },
3
22
  {
4
23
  "cell_type": "markdown",
5
24
  "id": "0",
@@ -1,5 +1,24 @@
1
1
  {
2
2
  "cells": [
3
+ {
4
+ "cell_type": "code",
5
+ "execution_count": null,
6
+ "id": "effff825",
7
+ "metadata": {
8
+ "tags": [
9
+ "hide-in-docs"
10
+ ]
11
+ },
12
+ "outputs": [],
13
+ "source": [
14
+ "# Check whether easydiffraction is installed; install it if needed.\n",
15
+ "# Required for remote environments such as Google Colab.\n",
16
+ "import importlib.util\n",
17
+ "\n",
18
+ "if importlib.util.find_spec('easydiffraction') is None:\n",
19
+ " %pip install easydiffraction"
20
+ ]
21
+ },
3
22
  {
4
23
  "cell_type": "markdown",
5
24
  "id": "0",