easydiffraction 0.4.0__tar.gz → 0.4.1__tar.gz

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Files changed (197) hide show
  1. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/PKG-INFO +1 -1
  2. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/cryspy/parser.py +1 -0
  3. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/dependabot.yml +0 -0
  4. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/release-drafter.yml +0 -0
  5. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/build-docs.yml +0 -0
  6. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/ci-testing.yaml +0 -0
  7. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/delete-old-runs.yml +0 -0
  8. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/ossar-analysis.yml +0 -0
  9. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/pypi-publish.yml +0 -0
  10. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/release-drafter.yml +0 -0
  11. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.github/workflows/verify-pr-labels.yml +0 -0
  12. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.gitignore +0 -0
  13. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/.prettierignore +0 -0
  14. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/CONTRIBUTING.md +0 -0
  15. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/DEVELOPMENT.md +0 -0
  16. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/LICENSE +0 -0
  17. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/README.md +0 -0
  18. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/analysis.md +0 -0
  19. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_atom_site.md +0 -0
  20. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_cell.md +0 -0
  21. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_diffrn_radiation.md +0 -0
  22. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_diffrn_radiation_wavelength.md +0 -0
  23. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_exptl_crystal.md +0 -0
  24. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_extinction.md +0 -0
  25. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_pd_background.md +0 -0
  26. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_pd_calib.md +0 -0
  27. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_pd_instr.md +0 -0
  28. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_pd_meas.md +0 -0
  29. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_pd_phase.md +0 -0
  30. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries/_space_group.md +0 -0
  31. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/dictionaries.md +0 -0
  32. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/easyscience.md +0 -0
  33. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/experiment.md +0 -0
  34. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/getting-started.md +0 -0
  35. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/glossary.md +0 -0
  36. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/how-to-use/index.md +0 -0
  37. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/index.md +0 -0
  38. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/mkdocs.yml +0 -0
  39. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/model.md +0 -0
  40. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/docs/project-structure.md +0 -0
  41. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Change-minimizer.ipynb +0 -0
  42. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Define-experiment.ipynb +0 -0
  43. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Define-model.ipynb +0 -0
  44. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Fitting-emcee_pd-neut-cwl_LBCO-HRPT.ipynb +0 -0
  45. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Fitting_pd-neut-cwl_LBCO-HRPT.ipynb +0 -0
  46. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Fitting_pd-neut-tof_NCAF-WISH.ipynb +0 -0
  47. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Fitting_pd-neut-tof_Si-SEPD.ipynb +0 -0
  48. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/Simulation_pd-xray_NaCl.ipynb +0 -0
  49. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/d1a.cif +0 -0
  50. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/hrpt.xye +0 -0
  51. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/lbco.cif +0 -0
  52. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/lbco_adp.cif +0 -0
  53. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/ncaf.cif +0 -0
  54. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/sepd.xye +0 -0
  55. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/si.cif +0 -0
  56. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples/data/wish.xye +0 -0
  57. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/3T2@LLB.xye +0 -0
  58. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/D1A@ILL.xye +0 -0
  59. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting.ipynb +0 -0
  60. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/fitting.ipynb +0 -0
  61. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/fitting.py +0 -0
  62. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/hrpt.xye +0 -0
  63. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting copy.py +0 -0
  64. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting.ipynb +0 -0
  65. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting.py +0 -0
  66. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/sepd.xye +0 -0
  67. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/si.cif +0 -0
  68. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_TOF.ipynb +0 -0
  69. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_TOF_xye.ipynb +0 -0
  70. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Fitting_multiphase.ipynb +0 -0
  71. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/Calculate_PDF_Profile_Ni.ipynb +0 -0
  72. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/Fitting_PDF_Profile_Ni.ipynb +0 -0
  73. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/Fitting_PDF_Profile_Si.ipynb +0 -0
  74. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/4507226.cif +0 -0
  75. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Ni-xray.gr +0 -0
  76. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Ni.cif +0 -0
  77. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Si_calibration_cryostat_100A.fgr +0 -0
  78. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Si_calibration_cryostat_20A.fgr +0 -0
  79. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Si_calibration_cryostat_20A_01Rmin.fgr +0 -0
  80. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Si_calibration_cryostat_50A.fgr +0 -0
  81. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF/data/Si_calibration_cryostat_50A_01Rmin.fgr +0 -0
  82. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF2/Calculate_PDF_Profile.ipynb +0 -0
  83. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF2/Fitting_PDF_Profile.ipynb +0 -0
  84. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF2/Ni-xray.gr +0 -0
  85. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF2/Ni.cif +0 -0
  86. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF2/Ni_fitting.py +0 -0
  87. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PDF2/Ni_profile.py +0 -0
  88. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PbSO4.cif +0 -0
  89. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/PolNPD5T.cif +0 -0
  90. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Polarized.ipynb +0 -0
  91. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Simulation.ipynb +0 -0
  92. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/Simulation_xray.ipynb +0 -0
  93. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/calc_chisq.py +0 -0
  94. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/cryspy_PbSO4-D1A@ILL.rcif +0 -0
  95. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/cryspy_unpolarized_tof_powder_Si.rcif +0 -0
  96. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/refinement.py +0 -0
  97. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/rhochi_unpolarized_tof_powder_CeCuAl.rcif +0 -0
  98. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDB/experiments/d1a.cif +0 -0
  99. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDB/models/pbso4.cif +0 -0
  100. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDB/models/pbso4_dark.png +0 -0
  101. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDB/project.cif +0 -0
  102. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDB/summary/report.cif +0 -0
  103. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDL/D1A@ILL.xye +0 -0
  104. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDL/PbSO4.cif +0 -0
  105. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/TestingAPI/EDL/TestingAPI.py +0 -0
  106. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/advanced/refinement_bumps_dream.ipynb +0 -0
  107. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/advanced/refinement_emcee.ipynb +0 -0
  108. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/d1a.cif +0 -0
  109. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/diamond_exp.xye +0 -0
  110. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/diamond_phase.cif +0 -0
  111. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/experiment_polarized.xye +0 -0
  112. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/multiphase.cif +0 -0
  113. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/ncaf.cif +0 -0
  114. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/structure_polarized.cif +0 -0
  115. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/examples_old/wish.cif +0 -0
  116. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/prettierrc.toml +0 -0
  117. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/pyproject.toml +0 -0
  118. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/__init__.py +0 -0
  119. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/__init__.py +0 -0
  120. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/cryspy/calculator.py +0 -0
  121. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/cryspy/wrapper.py +0 -0
  122. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/pdffit2/calculator.py +0 -0
  123. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/pdffit2/wrapper.py +0 -0
  124. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/pycrysfml/calculator.py +0 -0
  125. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/pycrysfml/wrapper.py +0 -0
  126. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/wrapper_base.py +0 -0
  127. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/wrapper_factory.py +0 -0
  128. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/wrapper_types.py +0 -0
  129. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/io/__init__.py +0 -0
  130. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/io/cif.py +0 -0
  131. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/io/cif_reader.py +0 -0
  132. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/__init__.py +0 -0
  133. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/analysis/__init__.py +0 -0
  134. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/analysis/analysis.py +0 -0
  135. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/__init__.py +0 -0
  136. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/backgrounds/__init__.py +0 -0
  137. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/backgrounds/background.py +0 -0
  138. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/backgrounds/factorial.py +0 -0
  139. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/backgrounds/point.py +0 -0
  140. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/common.py +0 -0
  141. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/data_container.py +0 -0
  142. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/experiment.py +0 -0
  143. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/experiment_type.py +0 -0
  144. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/pd_1d.py +0 -0
  145. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/polarization.py +0 -0
  146. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/experiment/simulation.py +0 -0
  147. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/job.py +0 -0
  148. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/model/__init__.py +0 -0
  149. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/model/phase.py +0 -0
  150. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/model/site.py +0 -0
  151. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/old_sample/__init__.py +0 -0
  152. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/old_sample/old_sample.py +0 -0
  153. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/project/__init__.py +0 -0
  154. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/job/summary/__init__.py +0 -0
  155. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/main.py +0 -0
  156. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/utils.py +0 -0
  157. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/PbSO4.cif +0 -0
  158. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/PolNPD5T.cif +0 -0
  159. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/d1a.cif +0 -0
  160. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/hrpt.xye +0 -0
  161. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/lbco.cif +0 -0
  162. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/scipp.cif +0 -0
  163. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/sepd.xye +0 -0
  164. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/data/si.cif +0 -0
  165. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/functional_tests/fitting/test_fitting_pd-neut.py +0 -0
  166. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/integration_tests/scipp/test_scipp.py +0 -0
  167. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/unit_tests/job/experiment/test_experiment.py +0 -0
  168. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/unit_tests/job/experiment/test_experiment_type.py +0 -0
  169. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests/unit_tests/job/test_job.py +0 -0
  170. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/CFML_Cryspy.png +0 -0
  171. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/FittingData.ipynb +0 -0
  172. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/FittingData_CFML-xarrays.ipynb +0 -0
  173. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/FittingData_CFML.ipynb +0 -0
  174. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/PbSO4.cif +0 -0
  175. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/PbSO4_neutrons_short.xye +0 -0
  176. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/PbSO4_xrays_short.xye +0 -0
  177. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/SrTiO3.cif +0 -0
  178. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/WorkedExample2.ipynb +0 -0
  179. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/fit_script.py +0 -0
  180. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/test1.py +0 -0
  181. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/test3.py +0 -0
  182. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/workedExample1.ipynb +0 -0
  183. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/integration_tests/xarray_test.ipynb +0 -0
  184. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/Calculators/__init__.py +0 -0
  185. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/Elements/__init__.py +0 -0
  186. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/Interfaces/__init__.py +0 -0
  187. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/test_Jobs.py +0 -0
  188. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/test_Runner.py +0 -0
  189. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/test_interface.py +0 -0
  190. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tests_old/unit_tests/test_sample.py +0 -0
  191. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/build_docs.sh +0 -0
  192. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/cleanup_docs.sh +0 -0
  193. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/code_quality.sh +0 -0
  194. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/install_deps.sh +0 -0
  195. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/prepare_docs.sh +0 -0
  196. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/run_notebooks.sh +0 -0
  197. {easydiffraction-0.4.0 → easydiffraction-0.4.1}/tools/run_tests.sh +0 -0
{easydiffraction-0.4.0 → easydiffraction-0.4.1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: easydiffraction
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- Version: 0.4.0
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+ Version: 0.4.1
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  Summary: Making diffraction data analysis and modelling easy
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  Project-URL: homepage, https://easydiffraction.org
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  Project-URL: documentation, https://docs.easydiffraction.org/lib
{easydiffraction-0.4.0 → easydiffraction-0.4.1}/src/easydiffraction/calculators/cryspy/parser.py RENAMED
@@ -1917,6 +1917,7 @@ def cifV2ToV1_tof(edCif):
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  '_model.cif_file_name': '_model_cif_file_name',
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  '_experiment.cif_file_name': '_experiment_cif_file_name',
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  '_audit_contact_author.name': '_audit.contact_author_name', # Temporary fix for CrysPy to accept CIFs
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+ '_audit_contact_author.email': '_audit.contact_author_email', # Temporary fix for CrysPy to accept CIFs
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  '_audit_contact_author.id_orcid': '_audit.contact_author_id_orcid', # Temporary fix for CrysPy to accept CIFs
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  }
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  edToCryspyNamesMap['cwl'] = {
{easydiffraction-0.4.0 → easydiffraction-0.4.1}/LICENSE RENAMED
File without changes