hbat 2.2.7.dev25__tar.gz → 2.2.8.dev26__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 (142) hide show
  1. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/.github/workflows/release.yml +1 -1
  2. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/PKG-INFO +1 -1
  3. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/_version.py +2 -2
  4. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/.github/workflows/cleanup-prereleases.yml +0 -0
  5. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/.github/workflows/test.yml +0 -0
  6. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/CITATION.cff +0 -0
  7. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/CLAUDE.md +0 -0
  8. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/CODE_OF_CONDUCT.md +0 -0
  9. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/CONTRIBUTING.md +0 -0
  10. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/LICENSE +0 -0
  11. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/MANIFEST.in +0 -0
  12. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/Makefile +0 -0
  13. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/README.md +0 -0
  14. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/build_standalone.py +0 -0
  15. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/build_standalone_linux.py +0 -0
  16. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/build_standalone_windows.py +0 -0
  17. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/conda/meta.yaml +0 -0
  18. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/Makefile +0 -0
  19. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/requirements.txt +0 -0
  20. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/_static/custom.css +0 -0
  21. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/_static/light-theme.css +0 -0
  22. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/ccd/ccd_analyzer.rst +0 -0
  23. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/ccd/constants_generator.rst +0 -0
  24. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/ccd/generate_ccd_constants.rst +0 -0
  25. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/ccd/index.rst +0 -0
  26. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/cli/index.rst +0 -0
  27. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/constants/app.rst +0 -0
  28. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/constants/atomic_data.rst +0 -0
  29. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/constants/index.rst +0 -0
  30. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/constants/misc.rst +0 -0
  31. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/constants/parameters.rst +0 -0
  32. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/constants/pdb_constants.rst +0 -0
  33. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/index.rst +0 -0
  34. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/interactions.rst +0 -0
  35. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/np_analyzer.rst +0 -0
  36. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/np_vector.rst +0 -0
  37. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/pdb_fixer.rst +0 -0
  38. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/pdb_parser.rst +0 -0
  39. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/core/structure.rst +0 -0
  40. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/examples/index.rst +0 -0
  41. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/gui/index.rst +0 -0
  42. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/index.rst +0 -0
  43. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/utilities/atom_utils.rst +0 -0
  44. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/api/utilities/index.rst +0 -0
  45. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/cli.rst +0 -0
  46. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/conf.py +0 -0
  47. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/development.rst +0 -0
  48. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/index.rst +0 -0
  49. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/installation.rst +0 -0
  50. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/license.rst +0 -0
  51. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/logic.rst +0 -0
  52. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/parameters.rst +0 -0
  53. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/pdbfixing.rst +0 -0
  54. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/docs/source/quickstart.rst +0 -0
  55. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/1bhl.pdb +0 -0
  56. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/1gai.pdb +0 -0
  57. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/1ubi.pdb +0 -0
  58. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/2izf.pdb +0 -0
  59. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/4jsv.pdb +0 -0
  60. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/4laz.pdb +0 -0
  61. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/4ub7.pdb +0 -0
  62. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/4x21.pdb +0 -0
  63. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_pdb_files/6rsa.pdb +0 -0
  64. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/drug_design_strict.hbat +0 -0
  65. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/high_resolution.hbat +0 -0
  66. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/low_resolution.hbat +0 -0
  67. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/membrane_proteins.hbat +0 -0
  68. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/nmr_structures.hbat +0 -0
  69. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/standard_resolution.hbat +0 -0
  70. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/strong_interactions_only.hbat +0 -0
  71. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/example_presets/weak_interactions_permissive.hbat +0 -0
  72. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/__init__.py +0 -0
  73. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/ccd/__init__.py +0 -0
  74. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/ccd/ccd_analyzer.py +0 -0
  75. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/ccd/constants_generator.py +0 -0
  76. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/ccd/generate_ccd_constants.py +0 -0
  77. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/cli/__init__.py +0 -0
  78. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/cli/main.py +0 -0
  79. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/__init__.py +0 -0
  80. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/app.py +0 -0
  81. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/atomic_data.py +0 -0
  82. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/misc.py +0 -0
  83. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/parameters.py +0 -0
  84. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/pdb_constants.py +0 -0
  85. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/constants/residue_bonds.py +0 -0
  86. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/__init__.py +0 -0
  87. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/analysis.py +0 -0
  88. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/analyzer.py +0 -0
  89. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/app_config.py +0 -0
  90. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/atom_classifier.py +0 -0
  91. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/interactions.py +0 -0
  92. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/np_analyzer.py +0 -0
  93. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/np_vector.py +0 -0
  94. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/pdb_fixer.py +0 -0
  95. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/pdb_parser.py +0 -0
  96. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/core/structure.py +0 -0
  97. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/gui/__init__.py +0 -0
  98. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/gui/chain_visualization.py +0 -0
  99. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/gui/main_window.py +0 -0
  100. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/gui/parameter_panel.py +0 -0
  101. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/gui/results_panel.py +0 -0
  102. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/utilities/__init__.py +0 -0
  103. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/utilities/atom_utils.py +0 -0
  104. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat.egg-info/SOURCES.txt +0 -0
  105. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat.icns +0 -0
  106. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat.ico +0 -0
  107. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat.png +0 -0
  108. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat.svg +0 -0
  109. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat_cli.py +0 -0
  110. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat_gui.py +0 -0
  111. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/pyproject.toml +0 -0
  112. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/pytest.ini +0 -0
  113. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/requirements-dev.txt +0 -0
  114. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/requirements.txt +0 -0
  115. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/setup.cfg +0 -0
  116. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/README.md +0 -0
  117. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/__init__.py +0 -0
  118. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/cli/__init__.py +0 -0
  119. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/cli/test_cli_main.py +0 -0
  120. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/conftest.py +0 -0
  121. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/e2e/__init__.py +0 -0
  122. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/e2e/test_cli_workflows.py +0 -0
  123. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/e2e/test_complete_workflows.py +0 -0
  124. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/e2e/test_gui_workflows.py +0 -0
  125. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/gui/__init__.py +0 -0
  126. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/gui/test_gui_components.py +0 -0
  127. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/integration/__init__.py +0 -0
  128. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/integration/test_analyzer_components.py +0 -0
  129. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/integration/test_cli_integration.py +0 -0
  130. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/integration/test_molecular_validation.py +0 -0
  131. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/integration/test_pdb_parsing.py +0 -0
  132. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/performance/__init__.py +0 -0
  133. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/performance/test_ccd_performance.py +0 -0
  134. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/performance/test_performance_workflows.py +0 -0
  135. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/run_tests.py +0 -0
  136. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/__init__.py +0 -0
  137. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/test_cli_parsing.py +0 -0
  138. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/test_gui_components.py +0 -0
  139. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/test_interactions.py +0 -0
  140. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/test_parameters.py +0 -0
  141. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/test_structures.py +0 -0
  142. {hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/tests/unit/test_vector_math.py +0 -0
{hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/.github/workflows/release.yml RENAMED
@@ -437,7 +437,7 @@ jobs:
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  ${{ needs.generate-version.outputs.is_prerelease == 'false' && '**Conda:**
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  ```bash
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- conda install -c ${{ secrets.ANACONDA_ORG }} hbat
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+ conda install -c hbat hbat
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  ```' || '**Conda:**
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  Download the package and install locally' }}
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  prerelease: ${{ needs.generate-version.outputs.is_prerelease == 'true' }}
{hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: hbat
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- Version: 2.2.7.dev25
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+ Version: 2.2.8.dev26
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  Summary: Hydrogen Bond Analysis Tool for PDB structures
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  Author-email: Abhishek Tiwari <hbat@abhishek-tiwari.com>
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  License-Expression: MIT
{hbat-2.2.7.dev25 → hbat-2.2.8.dev26}/hbat/_version.py RENAMED
@@ -17,5 +17,5 @@ __version__: str
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  __version_tuple__: VERSION_TUPLE
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  version_tuple: VERSION_TUPLE
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- __version__ = version = '2.2.7.dev25'
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- __version_tuple__ = version_tuple = (2, 2, 7, 'dev25')
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+ __version__ = version = '2.2.8.dev26'
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+ __version_tuple__ = version_tuple = (2, 2, 8, 'dev26')
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