cosmopharm 0.0.29__tar.gz → 0.0.31__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 (179) hide show
  1. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/.github/workflows/python-publish.yml +1 -1
  2. cosmopharm-0.0.31/MANIFEST.in +7 -0
  3. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/PKG-INFO +1 -1
  4. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/setup.py +1 -0
  5. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/version.py +2 -2
  6. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/PKG-INFO +1 -1
  7. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/SOURCES.txt +1 -0
  8. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/.gitignore +0 -0
  9. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/.gitmodules +0 -0
  10. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/CITATION.cff +0 -0
  11. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/LICENSE +0 -0
  12. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/README.md +0 -0
  13. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/TOC.png +0 -0
  14. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/basic_usage.py +0 -0
  15. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/lle/calculated/lle_results.xlsx +0 -0
  16. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/lle/calculated/ucst_values.xlsx +0 -0
  17. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/README.md +0 -0
  18. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/sle_results_PVA_alternatives.xlsx +0 -0
  19. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/sle_results_PVP_alternatives.xlsx +0 -0
  20. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/sle_results_REF.xlsx +0 -0
  21. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/PVA_alternatives/calc_vs_exp.xlsx +0 -0
  22. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/PVA_alternatives/components.xlsx +0 -0
  23. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/PVA_alternatives/systems.xlsx +0 -0
  24. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/PVP_alternatives/calc_vs_exp.xlsx +0 -0
  25. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/PVP_alternatives/components.xlsx +0 -0
  26. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/PVP_alternatives/systems.xlsx +0 -0
  27. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/REF/calc_vs_exp.xlsx +0 -0
  28. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/REF/components.xlsx +0 -0
  29. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/REF/systems.xlsx +0 -0
  30. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/calculated/statistics/REF/total.xlsx +0 -0
  31. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/GSF_PVPK12.dat +0 -0
  32. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/GSF_PVPK25.dat +0 -0
  33. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/GSF_PVPK30.dat +0 -0
  34. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/GSF_PVPVAc64.dat +0 -0
  35. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IBP_EUD.dat +0 -0
  36. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IBP_PLGA50.dat +0 -0
  37. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IBP_PLGA75.dat +0 -0
  38. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IBP_PVA.dat +0 -0
  39. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IBP_PVPK12.dat +0 -0
  40. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IMC_EUD.dat +0 -0
  41. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IMC_PLGA50.dat +0 -0
  42. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IMC_PLGA75.dat +0 -0
  43. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IMC_PVA.dat +0 -0
  44. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IMC_PVPK12.dat +0 -0
  45. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/IMC_PVPVAc64.dat +0 -0
  46. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NIF_PVPK12.dat +0 -0
  47. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NIF_PVPK25.dat +0 -0
  48. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NIF_PVPK30.dat +0 -0
  49. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NIF_PVPVAc64.dat +0 -0
  50. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_EUD.dat +0 -0
  51. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PLGA50.dat +0 -0
  52. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PLGA75.dat +0 -0
  53. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PVA.dat +0 -0
  54. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PVPK12.dat +0 -0
  55. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PVPK25.dat +0 -0
  56. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PVPK30.dat +0 -0
  57. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/NPX_PVPVAc64.dat +0 -0
  58. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/PCM_EUD.dat +0 -0
  59. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/PCM_PLGA50.dat +0 -0
  60. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/PCM_PLGA75.dat +0 -0
  61. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/PCM_PVPK12.dat +0 -0
  62. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/PCM_PVPK30.dat +0 -0
  63. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/PCM_PVPVAc64.dat +0 -0
  64. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/SIM_PDL.dat +0 -0
  65. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/experimental/SIM_PLGA50.dat +0 -0
  66. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/data/sle/table_params.xlsx +0 -0
  67. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/docs/README_pypi.md +0 -0
  68. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/example_usage.py +0 -0
  69. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/Gaussian_input_cosmo.gjf +0 -0
  70. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/Gaussian_input_optimization.gjf +0 -0
  71. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/README.md +0 -0
  72. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/import_profiles.py +0 -0
  73. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/include/COSMO_SAC/COSMO.hpp +0 -0
  74. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/include/COSMO_SAC/profile_db.hpp +0 -0
  75. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/include/COSMO_SAC/util.hpp +0 -0
  76. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/profiles/complist.txt +0 -0
  77. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/profiles/pharmaceuticals/SIM.sigma +0 -0
  78. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/profiles/polymers/PLGA50.sigma +0 -0
  79. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/profiles/sigma3/PLGA50.sigma +0 -0
  80. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/profiles/sigma3/SIM.sigma +0 -0
  81. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/src/main.cpp +0 -0
  82. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/DirectImport/src/pybind11_interface.cxx +0 -0
  83. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/complist.txt +0 -0
  84. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/complist.xlsx +0 -0
  85. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/CBZ.sigma +0 -0
  86. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/EUD.sigma +0 -0
  87. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/GSF.sigma +0 -0
  88. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/IBP.sigma +0 -0
  89. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/IMC.sigma +0 -0
  90. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/NIF.sigma +0 -0
  91. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/NPX.sigma +0 -0
  92. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PCM.sigma +0 -0
  93. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PDL.sigma +0 -0
  94. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PLGA50.sigma +0 -0
  95. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PLGA75.sigma +0 -0
  96. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PVA.sigma +0 -0
  97. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PVPK12.sigma +0 -0
  98. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PVPK25.sigma +0 -0
  99. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PVPK30.sigma +0 -0
  100. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/PVPVAc64.sigma +0 -0
  101. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/RBV.sigma +0 -0
  102. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/SIM.sigma +0 -0
  103. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/TBA.sigma +0 -0
  104. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/sigma3/VST.sigma +0 -0
  105. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/_import_methods/UD/xlsx_to_txt.py +0 -0
  106. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/EUD_st-4mer.cosmo +0 -0
  107. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PDL_st-3mer.cosmo +0 -0
  108. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PLGA_st-4mer.cosmo +0 -0
  109. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVA_at-3mer.cosmo +0 -0
  110. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVA_at-5mer-mmrr.cosmo +0 -0
  111. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVA_at-5mer-rmrm.cosmo +0 -0
  112. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVA_at-5mer-wo1OH.cosmo +0 -0
  113. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVA_it-3mer.cosmo +0 -0
  114. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVA_st-3mer.cosmo +0 -0
  115. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVPVAc_st-4mer.cosmo +0 -0
  116. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVP_it-3mer.cosmo +0 -0
  117. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVP_st-3mer.cosmo +0 -0
  118. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/cosmo/PVP_st-5mer.cosmo +0 -0
  119. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/EUD.sigma +0 -0
  120. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PDL.sigma +0 -0
  121. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PLGA50.sigma +0 -0
  122. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PLGA75.sigma +0 -0
  123. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVA.sigma +0 -0
  124. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVA_alternatives/PVA_at-5mer-rmrm.sigma +0 -0
  125. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVA_alternatives/PVA_at-5mer-wo1OH.sigma +0 -0
  126. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVA_alternatives/PVA_at_5mer-mmrr.sigma +0 -0
  127. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVA_alternatives/PVA_it-3mer.sigma +0 -0
  128. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVA_alternatives/PVA_st-3mer.sigma +0 -0
  129. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVPK12.sigma +0 -0
  130. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVPK25.sigma +0 -0
  131. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVPK30.sigma +0 -0
  132. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVPVAc64.sigma +0 -0
  133. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK12_it-3mer.sigma +0 -0
  134. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK12_st-5mer.sigma +0 -0
  135. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK12_st-mol1.sigma +0 -0
  136. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK12_st-mol2.sigma +0 -0
  137. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK12_st-mol3.sigma +0 -0
  138. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK25_it-3mer.sigma +0 -0
  139. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK25_st-5mer.sigma +0 -0
  140. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK30_it-3mer.sigma +0 -0
  141. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/sigma/PVP_alternatives/PVPK30_st-5mer.sigma +0 -0
  142. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/to_sigma_poly.py +0 -0
  143. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/to_sigma_validation_data.zip +0 -0
  144. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/EUD_st-4mer.xyz +0 -0
  145. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PDL_st-3mer.xyz +0 -0
  146. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PLGA_st-4mer.xyz +0 -0
  147. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVA_at-3mer.xyz +0 -0
  148. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVA_at-5mer-mmrr.xyz +0 -0
  149. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVA_at-5mer-rmrm.xyz +0 -0
  150. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVA_at-5mer-wo1OH.xyz +0 -0
  151. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVA_it-3mer.xyz +0 -0
  152. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVA_st-3mer.xyz +0 -0
  153. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVPK12_st-mol1.xyz +0 -0
  154. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVPK12_st-mol2.xyz +0 -0
  155. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVPK12_st-mol3.xyz +0 -0
  156. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVPVAc_st-4mer.xyz +0 -0
  157. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVP_it-3mer.xyz +0 -0
  158. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVP_st-3mer.xyz +0 -0
  159. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/profiles/polymers/xyz/PVP_st-5mer.xyz +0 -0
  160. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/pyproject.toml +0 -0
  161. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/requirements.txt +0 -0
  162. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/setup.cfg +0 -0
  163. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/__init__.py +0 -0
  164. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/actmodels/__init__.py +0 -0
  165. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/actmodels/actmodel.py +0 -0
  166. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/actmodels/cosmo.py +0 -0
  167. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/components.py +0 -0
  168. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/equilibrium/__init__.py +0 -0
  169. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/equilibrium/lle.py +0 -0
  170. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/equilibrium/sle.py +0 -0
  171. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/utils/__init__.py +0 -0
  172. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/utils/convert.py +0 -0
  173. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/utils/helpers.py +0 -0
  174. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/utils/lle_scanner.py +0 -0
  175. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/utils/spacing.py +0 -0
  176. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/dependency_links.txt +0 -0
  177. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/requires.txt +0 -0
  178. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/top_level.txt +0 -0
  179. {cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/install_cosmosac.md +0 -0
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/.github/workflows/python-publish.yml RENAMED
@@ -31,7 +31,7 @@ jobs:
31
31
  - name: Install dependencies
32
32
  run: |
33
33
  python -m pip install --upgrade pip
34
- pip install build
34
+ pip install build setuptools_scm
35
35
  - name: Build package
36
36
  run: python -m build
37
37
  - name: Publish package
cosmopharm-0.0.31/MANIFEST.in ADDED
@@ -0,0 +1,7 @@
1
+ include pyproject.toml
2
+ include setup.py
3
+ include setup.cfg
4
+ include LICENSE
5
+ include README.md
6
+ recursive-include src *
7
+ global-exclude *.py[cod] __pycache__ *.so *.dylib
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: cosmopharm
3
- Version: 0.0.29
3
+ Version: 0.0.31
4
4
  Summary: Predictive modeling for drug-polymer compatibility in pharmaceutical formulations using COSMO-SAC.
5
5
  Home-page: https://github.com/ivanantolo/cosmopharm,
6
6
  Author: Ivan Antolovic
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/setup.py RENAMED
@@ -15,4 +15,5 @@ setup(
15
15
  packages=find_packages(where="src"),
16
16
  package_dir={"": "src"},
17
17
  include_package_data=True,
18
+ exclude_package_data={'': ['tests/*']}, # Exclude test files
18
19
  )
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm/version.py RENAMED
@@ -12,5 +12,5 @@ __version__: str
12
12
  __version_tuple__: VERSION_TUPLE
13
13
  version_tuple: VERSION_TUPLE
14
14
 
15
- __version__ = version = '0.0.29'
16
- __version_tuple__ = version_tuple = (0, 0, 29)
15
+ __version__ = version = '0.0.31'
16
+ __version_tuple__ = version_tuple = (0, 0, 31)
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: cosmopharm
3
- Version: 0.0.29
3
+ Version: 0.0.31
4
4
  Summary: Predictive modeling for drug-polymer compatibility in pharmaceutical formulations using COSMO-SAC.
5
5
  Home-page: https://github.com/ivanantolo/cosmopharm,
6
6
  Author: Ivan Antolovic
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/src/cosmopharm.egg-info/SOURCES.txt RENAMED
@@ -2,6 +2,7 @@
2
2
  .gitmodules
3
3
  CITATION.cff
4
4
  LICENSE
5
+ MANIFEST.in
5
6
  README.md
6
7
  TOC.png
7
8
  basic_usage.py
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/.gitignore RENAMED
File without changes
{cosmopharm-0.0.29 → cosmopharm-0.0.31}/.gitmodules RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/CITATION.cff RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/LICENSE RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/README.md RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/TOC.png RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/basic_usage.py RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/pyproject.toml RENAMED
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{cosmopharm-0.0.29 → cosmopharm-0.0.31}/setup.cfg RENAMED
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