psdi-data-conversion 0.0.33__tar.gz → 0.0.35__tar.gz

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Files changed (167) hide show
  1. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-cron.yml +1 -1
  2. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-release.yml +1 -1
  3. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-anchore-scan.yml +1 -1
  4. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-publish-doc.yml +1 -1
  5. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/PKG-INFO +1 -1
  6. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/convert.htm +16 -5
  7. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/convertato.htm +16 -5
  8. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/convertc2x.htm +17 -5
  9. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convert_common.js +21 -1
  10. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/styles/format.css +19 -0
  11. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-deploy-production.yml +0 -0
  12. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-feature.yml +0 -0
  13. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-main.yml +0 -0
  14. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-pr.yml +0 -0
  15. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-rc-hotfix.yml +0 -0
  16. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-container-push.yml +0 -0
  17. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-deploy-k8s.yml +0 -0
  18. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-open-pull-request.yml +0 -0
  19. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-tag.yml +0 -0
  20. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-test-gui.yml +0 -0
  21. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-test-python.yml +0 -0
  22. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.gitignore +0 -0
  23. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/CHANGELOG.md +0 -0
  24. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/CONTRIBUTING.md +0 -0
  25. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/LICENSE +0 -0
  26. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/README.md +0 -0
  27. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/__init__.py +0 -0
  28. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/app.py +0 -0
  29. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/LICENSE_ATOMSK +0 -0
  30. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/LICENSE_C2X +0 -0
  31. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/linux/atomsk +0 -0
  32. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/linux/c2x +0 -0
  33. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/mac/atomsk +0 -0
  34. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/mac/c2x +0 -0
  35. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/constants.py +0 -0
  36. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converter.py +0 -0
  37. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/__init__.py +0 -0
  38. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/atomsk.py +0 -0
  39. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/base.py +0 -0
  40. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/c2x.py +0 -0
  41. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/openbabel.py +0 -0
  42. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/database.py +0 -0
  43. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/dist.py +0 -0
  44. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/file_io.py +0 -0
  45. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/log_utility.py +0 -0
  46. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/main.py +0 -0
  47. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/scripts/atomsk.sh +0 -0
  48. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/scripts/c2x.sh +0 -0
  49. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/security.py +0 -0
  50. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/accessibility.htm +0 -0
  51. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/documentation.htm +0 -0
  52. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/download.htm +0 -0
  53. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/feedback.htm +0 -0
  54. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/header-links.html +0 -0
  55. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/index-versions/header-links.html +0 -0
  56. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/index-versions/psdi-common-footer.html +0 -0
  57. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/index-versions/psdi-common-header.html +0 -0
  58. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/psdi-common-footer.html +0 -0
  59. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/psdi-common-header.html +0 -0
  60. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/report.htm +0 -0
  61. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/data/data.json +0 -0
  62. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/colormode-toggle-dm.svg +0 -0
  63. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/colormode-toggle-lm.svg +0 -0
  64. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-icon-dark.svg +0 -0
  65. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-icon-light.svg +0 -0
  66. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-darktext-simple.png +0 -0
  67. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-darktext.png +0 -0
  68. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-lighttext-simple.png +0 -0
  69. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-lighttext.png +0 -0
  70. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-bluesky-black.svg +0 -0
  71. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-bluesky-white.svg +0 -0
  72. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-instagram-black.svg +0 -0
  73. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-instagram-white.svg +0 -0
  74. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-linkedin-black.png +0 -0
  75. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-linkedin-white.png +0 -0
  76. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-mastodon-black.svg +0 -0
  77. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-mastodon-white.svg +0 -0
  78. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-x-black.svg +0 -0
  79. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-x-white.svg +0 -0
  80. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-youtube-black.png +0 -0
  81. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-youtube-white.png +0 -0
  82. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-epsr-logo-darktext.png +0 -0
  83. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-epsr-logo-lighttext.png +0 -0
  84. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-logo-darktext.png +0 -0
  85. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-logo-lighttext.png +0 -0
  86. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/accessibility.js +0 -0
  87. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/common.js +0 -0
  88. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convert.js +0 -0
  89. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convertato.js +0 -0
  90. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convertc2x.js +0 -0
  91. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/data.js +0 -0
  92. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/format.js +0 -0
  93. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/load_accessibility.js +0 -0
  94. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/psdi-common.js +0 -0
  95. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/report.js +0 -0
  96. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/styles/psdi-common.css +0 -0
  97. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/templates/index.htm +0 -0
  98. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/__init__.py +0 -0
  99. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/constants.py +0 -0
  100. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/conversion_callbacks.py +0 -0
  101. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/conversion_test_specs.py +0 -0
  102. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/utils.py +0 -0
  103. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/pyproject.toml +0 -0
  104. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/run_local.sh +0 -0
  105. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/scripts/setup_bin.py +0 -0
  106. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/1ARJ.mmcif +0 -0
  107. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/1NE6.mmcif +0 -0
  108. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/5a9z-assembly1.cif +0 -0
  109. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/Fapatite.ins +0 -0
  110. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/aceticacid.mol +0 -0
  111. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/benzyne.molden +0 -0
  112. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine-smi.tar +0 -0
  113. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine-smi.tar.gz +0 -0
  114. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine-smi.zip +0 -0
  115. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine.inchi +0 -0
  116. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/ch3cl-esp.cub +0 -0
  117. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/cyclopropane_err.mol +0 -0
  118. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/ethanol.xyz +0 -0
  119. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/fullRhinovirus.pdb +0 -0
  120. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/hemoglobin.pdb +0 -0
  121. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/nacl.cif +0 -0
  122. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/nacl.mol +0 -0
  123. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/aceticacid.log.txt +0 -0
  124. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/aceticacid.mol2 +0 -0
  125. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-2D-fastest.xyz +0 -0
  126. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-3D-best.xyz +0 -0
  127. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-okx-oof4.smi +0 -0
  128. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-okx-oof4l5.smi +0 -0
  129. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-okx.smi +0 -0
  130. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-ox.smi +0 -0
  131. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia.smi +0 -0
  132. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-no-flags.smi +0 -0
  133. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine.smi +0 -0
  134. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine.xyz +0 -0
  135. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in.smi +0 -0
  136. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_kx_f4_l5_out.smi +0 -0
  137. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_kx_f4_out.smi +0 -0
  138. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_kx_out.smi +0 -0
  139. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_x_out.smi +0 -0
  140. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/error_Fapatite_ins_to_cml_OB +0 -0
  141. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/error_cyclopropane_mol_to_xyz_c2x +0 -0
  142. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/error_nacl_mol_to_xyz_atomsk +0 -0
  143. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/hemoglobin_Atomsk.xyz +0 -0
  144. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/hemoglobin_c2x.xyz +0 -0
  145. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/nacl.log +0 -0
  146. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/nacl.mol +0 -0
  147. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_OB.cif +0 -0
  148. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_OB.log.txt +0 -0
  149. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_atomsk.cif +0 -0
  150. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_atomsk.log.txt +0 -0
  151. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/standard_test.inchi +0 -0
  152. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/xyz_files-mol.zip +0 -0
  153. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/xyz_files.log.txt +0 -0
  154. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/periodic_dmol3.outmol +0 -0
  155. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/quartz.xyz +0 -0
  156. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/quartz_err.xyz +0 -0
  157. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/standard_test.cdxml +0 -0
  158. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/cli_test.py +0 -0
  159. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/converter_test.py +0 -0
  160. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/database_test.py +0 -0
  161. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/dist_test.py +0 -0
  162. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/file_io_test.py +0 -0
  163. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/logging_test.py +0 -0
  164. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/security_test.py +0 -0
  165. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/selenium/files/standard_test.cdxml +0 -0
  166. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/selenium/run.sh +0 -0
  167. {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/selenium/selenium_tests.py +0 -0
@@ -13,7 +13,7 @@ on:
13
13
  jobs:
14
14
  update-assets:
15
15
  name: Update common assets
16
- runs-on: ubuntu-latest
16
+ runs-on: psdi-uk-runners
17
17
  steps:
18
18
  - name: Checkout repository
19
19
  uses: actions/checkout@v4
@@ -56,7 +56,7 @@ jobs:
56
56
  build:
57
57
  needs: [tag]
58
58
  name: Build distribution 📦
59
- runs-on: ubuntu-latest
59
+ runs-on: psdi-uk-runners
60
60
 
61
61
  steps:
62
62
  - uses: actions/checkout@v4
@@ -32,7 +32,7 @@ jobs:
32
32
  contents: read # for actions/checkout to fetch code
33
33
  security-events: write # for github/codeql-action/upload-sarif to upload SARIF results
34
34
  actions: read # only required for a private repository by github/codeql-action/upload-sarif to get the Action run status
35
- runs-on: ubuntu-latest
35
+ runs-on: psdi-uk-runners
36
36
  steps:
37
37
  - name: Check out the code
38
38
  uses: actions/checkout@v4
@@ -26,7 +26,7 @@ jobs:
26
26
  environment:
27
27
  name: github-pages
28
28
  url: ${{ steps.deployment.outputs.page_url }}
29
- runs-on: ubuntu-latest
29
+ runs-on: psdi-uk-runners
30
30
  steps:
31
31
  - name: Checkout
32
32
  uses: actions/checkout@v4
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: psdi_data_conversion
3
- Version: 0.0.33
3
+ Version: 0.0.35
4
4
  Summary: Chemistry file format conversion service, provided by PSDI
5
5
  Project-URL: Homepage, https://data-conversion.psdi.ac.uk/
6
6
  Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/
@@ -10,11 +10,19 @@
10
10
  <meta name="viewport" content="width=device-width, initial-scale=1.0">
11
11
  <title>PSDI Data Conversion Service</title>
12
12
  <link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
13
+
13
14
  <link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
14
15
  <link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
16
+
17
+ <link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
18
+ <script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
19
+ <script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
20
+ <script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
21
+
22
+ <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
23
+
15
24
  <link rel="stylesheet" href="../styles/format.css">
16
25
  <script src="../javascript/load_accessibility.js"></script>
17
- <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
18
26
  <script src="../javascript/common.js" type="module"></script>
19
27
  <script src="../javascript/psdi-common.js" type="module"></script>
20
28
  </head>
@@ -99,16 +107,19 @@
99
107
  <p id="fileChecking">
100
108
  </p>
101
109
  <p id="convertFile">
102
- <input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
110
+ <input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
103
111
  contained in archives) all have the correct extension<br>
104
- <input type="checkbox" id="requestLog">Also download log file for the conversion<br>
112
+ <input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
105
113
  Select file to convert:
106
114
  <br><input type="file" name="fileToUpload" id="fileToUpload"><br>
107
115
  If you have sensitive data you might prefer to use
108
116
  <a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
109
117
  our service.<br>
110
- <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
111
- disabled=true>
118
+ <span class="convert-button-and-spinner">
119
+ <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
120
+ disabled=true>
121
+ <span class="loading-spinner spinner-border"></span>
122
+ </span>
112
123
  </p>
113
124
  <div class="medGap"></div>
114
125
  </div>
@@ -10,11 +10,19 @@
10
10
  <meta name="viewport" content="width=device-width, initial-scale=1.0">
11
11
  <title>PSDI Data Conversion Service</title>
12
12
  <link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
13
+
13
14
  <link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
14
15
  <link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
16
+
17
+ <link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
18
+ <script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
19
+ <script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
20
+ <script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
21
+
22
+ <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
23
+
15
24
  <link rel="stylesheet" href="../styles/format.css">
16
25
  <script src="../javascript/load_accessibility.js"></script>
17
- <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
18
26
  <script src="../javascript/common.js" type="module"></script>
19
27
  <script src="../javascript/psdi-common.js" type="module"></script>
20
28
  </head>
@@ -43,16 +51,19 @@
43
51
  </p>
44
52
  <h6 id="heading"></h6>
45
53
  <p id="convertFile">
46
- <input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
54
+ <input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
47
55
  contained in archives) all have the correct extension<br>
48
- <input type="checkbox" id="requestLog">Also download log file for the conversion<br>
56
+ <input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
49
57
  Select file to convert:
50
58
  <br><input type="file" name="fileToUpload" id="fileToUpload"><br>
51
59
  If you have sensitive data you might prefer to use
52
60
  <a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
53
61
  our service.<br>
54
- <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
55
- disabled=true>
62
+ <span class="convert-button-and-spinner">
63
+ <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
64
+ disabled=true>
65
+ <span class="loading-spinner spinner-border"></span>
66
+ </span>
56
67
  </p>
57
68
  </div>
58
69
  <div class="largeGap"></div>
@@ -7,14 +7,23 @@
7
7
  <html>
8
8
 
9
9
  <head>
10
+
10
11
  <meta name="viewport" content="width=device-width, initial-scale=1.0">
11
12
  <title>PSDI Data Conversion Service</title>
12
13
  <link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
14
+
13
15
  <link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
14
16
  <link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
17
+
18
+ <link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
19
+ <script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
20
+ <script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
21
+ <script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
22
+
23
+ <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
24
+
15
25
  <link rel="stylesheet" href="../styles/format.css">
16
26
  <script src="../javascript/load_accessibility.js"></script>
17
- <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
18
27
  <script src="../javascript/common.js" type="module"></script>
19
28
  <script src="../javascript/psdi-common.js" type="module"></script>
20
29
  </head>
@@ -43,16 +52,19 @@
43
52
  </p>
44
53
  <h6 id="heading"></h6>
45
54
  <p id="convertFile">
46
- <input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
55
+ <input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
47
56
  contained in archives) all have the correct extension<br>
48
- <input type="checkbox" id="requestLog">Also download log file for the conversion<br>
57
+ <input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
49
58
  Select file to convert:
50
59
  <br><input type="file" name="fileToUpload" id="fileToUpload"><br>
51
60
  If you have sensitive data you might prefer to use
52
61
  <a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
53
62
  our service.<br>
54
- <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
55
- disabled=true>
63
+ <span class="convert-button-and-spinner">
64
+ <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
65
+ disabled=true>
66
+ <span class="loading-spinner spinner-border"></span>
67
+ </span>
56
68
  </p>
57
69
  </div>
58
70
  <div class="largeGap"></div>
@@ -58,6 +58,8 @@ export function commonConvertReady(converter) {
58
58
  // Converts user-supplied file to another format and downloads the resulting file
59
59
  export function convertFile(form_data, download_fname, fname) {
60
60
 
61
+ showSpinner();
62
+
61
63
  let convertTimedOut = false;
62
64
 
63
65
  var jqXHR = $.ajax({
@@ -68,6 +70,7 @@ export function convertFile(form_data, download_fname, fname) {
68
70
  contentType: false,
69
71
  timeout: CONVERT_TIMEOUT,
70
72
  success: async function () {
73
+ hideSpinner();
71
74
  if (!convertTimedOut) {
72
75
  await downloadFile(`../downloads/${download_fname}`, download_fname)
73
76
 
@@ -105,6 +108,7 @@ export function convertFile(form_data, download_fname, fname) {
105
108
  })
106
109
  },
107
110
  error: function (xmlhttprequest, textstatus, message) {
111
+ hideSpinner();
108
112
  if (textstatus === "timeout") {
109
113
  convertTimedOut = true;
110
114
  alert("ERROR: Conversion attempt timed out. This may be because the conversion is too complicated, " +
@@ -216,7 +220,8 @@ function checkFile(event) {
216
220
  if (message !== "")
217
221
  message += "\n\n";
218
222
  message += "The file exceeds the maximum size limit of " + (max_file_size / MEGABYTE).toFixed(2) +
219
- " MB; its size is " + (file.size / MEGABYTE).toFixed(2) + " MB.";
223
+ " MB; its size is " + (file.size / MEGABYTE).toFixed(2) + " MB. Please either log in for an increased " +
224
+ "file size limit, or see the Downloads page to run the app locally with no limit.";
220
225
  allGood = false;
221
226
  }
222
227
 
@@ -249,4 +254,19 @@ async function downloadFile(path, filename) {
249
254
  a.click();
250
255
  a.remove();
251
256
  });
257
+ }
258
+
259
+
260
+ /**
261
+ * Show the loading spinner
262
+ */
263
+ function showSpinner() {
264
+ $(".loading-spinner").css({ display: "inherit" });
265
+ }
266
+
267
+ /**
268
+ * Hide the loading spinner
269
+ */
270
+ function hideSpinner() {
271
+ $(".loading-spinner").css({ display: "none" });
252
272
  }
@@ -144,4 +144,23 @@ select#dark-background option {
144
144
 
145
145
  [production-mode=False] .dev-only {
146
146
  display: none;
147
+ }
148
+
149
+ .footer__hline hr {
150
+ border-top-style : none;
151
+ border-bottom-style: inset;
152
+ border-bottom-width: 1px;
153
+ }
154
+
155
+ /* Convert button and loading spinner */
156
+ .convert-button-and-spinner {
157
+ display : flex;
158
+ flex-direction: row;
159
+ align-items : center;
160
+ }
161
+
162
+ .loading-spinner {
163
+ display: none;
164
+ color : var(--ifm-color-primary);
165
+ scale : 75%;
147
166
  }