pyphyschemtools 0.1.1__tar.gz → 0.1.3__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 (190) hide show
  1. {pyphyschemtools-0.1.1/pyphyschemtools.egg-info → pyphyschemtools-0.1.3}/PKG-INFO +2 -2
  2. pyphyschemtools-0.1.3/pyphyschemtools/.readthedocs.yaml +23 -0
  3. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/__init__.py +1 -1
  4. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3/pyphyschemtools.egg-info}/PKG-INFO +2 -2
  5. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools.egg-info/SOURCES.txt +1 -0
  6. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyproject.toml +2 -2
  7. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/CHANGELOG.md +0 -0
  8. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/LICENSE +0 -0
  9. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/MANIFEST.in +0 -0
  10. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/README.md +0 -0
  11. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/Makefile +0 -0
  12. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/doctrees/environment.pickle +0 -0
  13. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/doctrees/index.doctree +0 -0
  14. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/doctrees/modules.doctree +0 -0
  15. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/doctrees/pyphyschemtools.doctree +0 -0
  16. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/doctrees/pyphyschemtools.icons_logos_banner.doctree +0 -0
  17. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/.buildinfo +0 -0
  18. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/.nojekyll +0 -0
  19. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/CNAME +0 -0
  20. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_images/tools4pyPC_banner.svg +0 -0
  21. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_sources/index.rst.txt +0 -0
  22. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_sources/modules.rst.txt +0 -0
  23. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_sources/pyphyschemtools.icons_logos_banner.rst.txt +0 -0
  24. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_sources/pyphyschemtools.rst.txt +0 -0
  25. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/_sphinx_javascript_frameworks_compat.js +0 -0
  26. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/base-stemmer.js +0 -0
  27. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/basic.css +0 -0
  28. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/badge_only.css +0 -0
  29. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/Roboto-Slab-Bold.woff +0 -0
  30. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/Roboto-Slab-Bold.woff2 +0 -0
  31. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/Roboto-Slab-Regular.woff +0 -0
  32. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/Roboto-Slab-Regular.woff2 +0 -0
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  37. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/fontawesome-webfont.woff2 +0 -0
  38. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-bold-italic.woff +0 -0
  39. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-bold-italic.woff2 +0 -0
  40. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-bold.woff +0 -0
  41. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-bold.woff2 +0 -0
  42. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-normal-italic.woff +0 -0
  43. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-normal-italic.woff2 +0 -0
  44. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-normal.woff +0 -0
  45. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/fonts/lato-normal.woff2 +0 -0
  46. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/css/theme.css +0 -0
  47. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/doctools.js +0 -0
  48. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/documentation_options.js +0 -0
  49. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/english-stemmer.js +0 -0
  50. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/file.png +0 -0
  51. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bold.eot +0 -0
  52. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bold.ttf +0 -0
  53. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bold.woff +0 -0
  54. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bold.woff2 +0 -0
  55. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bolditalic.eot +0 -0
  56. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bolditalic.ttf +0 -0
  57. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bolditalic.woff +0 -0
  58. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-bolditalic.woff2 +0 -0
  59. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-italic.eot +0 -0
  60. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-italic.ttf +0 -0
  61. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-italic.woff +0 -0
  62. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-italic.woff2 +0 -0
  63. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-regular.eot +0 -0
  64. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-regular.ttf +0 -0
  65. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-regular.woff +0 -0
  66. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/Lato/lato-regular.woff2 +0 -0
  67. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/RobotoSlab/roboto-slab-v7-bold.eot +0 -0
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  71. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/RobotoSlab/roboto-slab-v7-regular.eot +0 -0
  72. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/RobotoSlab/roboto-slab-v7-regular.ttf +0 -0
  73. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/RobotoSlab/roboto-slab-v7-regular.woff +0 -0
  74. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/fonts/RobotoSlab/roboto-slab-v7-regular.woff2 +0 -0
  75. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/jquery.js +0 -0
  76. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/js/badge_only.js +0 -0
  77. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/js/theme.js +0 -0
  78. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/js/versions.js +0 -0
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  84. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/_static/sphinx_highlight.js +0 -0
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  86. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/genindex.html +0 -0
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  88. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/modules.html +0 -0
  89. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/objects.inv +0 -0
  90. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/py-modindex.html +0 -0
  91. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/docs/build/html/pyphyschemtools.html +0 -0
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  105. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/Chem3D-checkpoint.py +0 -0
  106. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/PeriodicTable-checkpoint.py +0 -0
  107. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/aithermo-checkpoint.py +0 -0
  108. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/core-checkpoint.py +0 -0
  109. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/spectra-checkpoint.py +0 -0
  110. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/survey-checkpoint.py +0 -0
  111. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/sympyUtilities-checkpoint.py +0 -0
  112. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/.ipynb_checkpoints/tools4AS-checkpoint.py +0 -0
  113. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/Chem3D.py +0 -0
  114. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/ML.py +0 -0
  115. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/PeriodicTable.py +0 -0
  116. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/aithermo.py +0 -0
  117. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/cheminformatics.py +0 -0
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  166. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logopyPhyschem_3.webp +0 -0
  167. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logopyPhyschem_4.webp +0 -0
  168. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logopyPhyschem_5.png +0 -0
  169. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logopyPhyschem_5.webp +0 -0
  170. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logopyPhyschem_6.webp +0 -0
  171. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logopyPhyschem_7.webp +0 -0
  172. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logos-Anaconda-pyPhysChem.png +0 -0
  173. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/logos-Anaconda-pyPhysChem.svg +0 -0
  174. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/pyPCBanner.svg +0 -0
  175. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/pyPhysChem-GitHubSocialMediaTemplate.png +0 -0
  176. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/pyPhysChem-GitHubSocialMediaTemplate.svg +0 -0
  177. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/pyPhysChemBanner.png +0 -0
  178. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/pyPhysChemBanner.svg +0 -0
  179. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/qrcode-pyPhysChem.png +0 -0
  180. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/resources/svg/repository-open-graph-template.png +0 -0
  181. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/spectra.py +0 -0
  182. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/survey.py +0 -0
  183. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/sympyUtilities.py +0 -0
  184. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/tools4AS.py +0 -0
  185. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/visualID.py +0 -0
  186. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools/visualID_Eng.py +0 -0
  187. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools.egg-info/dependency_links.txt +0 -0
  188. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools.egg-info/requires.txt +0 -0
  189. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/pyphyschemtools.egg-info/top_level.txt +0 -0
  190. {pyphyschemtools-0.1.1 → pyphyschemtools-0.1.3}/setup.cfg +0 -0
@@ -1,12 +1,12 @@
1
1
  Metadata-Version: 2.4
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2
  Name: pyphyschemtools
3
- Version: 0.1.1
3
+ Version: 0.1.3
4
4
  Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
5
5
  Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
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  Project-URL: Homepage, https://github.com/rpoteau/pyphyschemtools
7
7
  Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools
8
8
  Project-URL: Changelog, https://github.com/rpoteau/pyphyschemtools/blob/main/CHANGELOG.md
9
- Project-URL: Documentation, https://github.com/rpoteau/pyphyschemtools/blob/main/README.md
9
+ Project-URL: Documentation, https://pyphyschemtools.readthedocs.io/en/latest/
10
10
  Project-URL: Issues, https://github.com/rpoteau/pyphyschemtools/issues
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11
  Requires-Python: >=3.8
12
12
  Description-Content-Type: text/markdown
@@ -0,0 +1,23 @@
1
+ # Read the Docs configuration file
2
+ # See https://docs.readthedocs.io/en/stable/config-file/v2.html for details
3
+
4
+ # Required
5
+ version: 2
6
+
7
+ # Set the OS, Python version, and other tools you might need
8
+ build:
9
+ os: ubuntu-24.04
10
+ tools:
11
+ python: "3.11"
12
+
13
+ # Build documentation in the "docs/" directory with Sphinx
14
+ sphinx:
15
+ configuration: docs/conf.py
16
+
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+ # Optional but recommended
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+ python:
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+ install:
20
+ - method: pip
21
+ path: .
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+ extra_requirements:
23
+ - docs
@@ -1,5 +1,5 @@
1
1
  # tools4pyPhysChem/__init__.py
2
- __version__ = "0.1.1"
2
+ __version__ = "0.1.3"
3
3
  __last_update__ = "2026-02-02"
4
4
 
5
5
  import importlib
@@ -1,12 +1,12 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pyphyschemtools
3
- Version: 0.1.1
3
+ Version: 0.1.3
4
4
  Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
5
5
  Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
6
6
  Project-URL: Homepage, https://github.com/rpoteau/pyphyschemtools
7
7
  Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools
8
8
  Project-URL: Changelog, https://github.com/rpoteau/pyphyschemtools/blob/main/CHANGELOG.md
9
- Project-URL: Documentation, https://github.com/rpoteau/pyphyschemtools/blob/main/README.md
9
+ Project-URL: Documentation, https://pyphyschemtools.readthedocs.io/en/latest/
10
10
  Project-URL: Issues, https://github.com/rpoteau/pyphyschemtools/issues
11
11
  Requires-Python: >=3.8
12
12
  Description-Content-Type: text/markdown
@@ -97,6 +97,7 @@ docs/source/pyphyschemtools.icons_logos_banner.rst
97
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  docs/source/pyphyschemtools.rst
98
98
  docs/source/_static/tools4pyPC_banner.svg
99
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  pyphyschemtools/.__init__.py.swp
100
+ pyphyschemtools/.readthedocs.yaml
100
101
  pyphyschemtools/Chem3D.py
101
102
  pyphyschemtools/ML.py
102
103
  pyphyschemtools/PeriodicTable.py
@@ -1,6 +1,6 @@
1
1
  [project]
2
2
  name = "pyphyschemtools"
3
- version = "0.1.1"
3
+ version = "0.1.3"
4
4
  description = "A comprehensive Python toolbox for physical chemistry and cheminformatics"
5
5
  authors = [{name = "Romuald POTEAU, LPCNO", email = "romuald.poteau@utoulouse.fr"}]
6
6
  readme = "README.md"
@@ -22,7 +22,7 @@ dependencies = [
22
22
  Homepage = "https://github.com/rpoteau/pyphyschemtools"
23
23
  Repository = "https://github.com/rpoteau/pyphyschemtools"
24
24
  Changelog = "https://github.com/rpoteau/pyphyschemtools/blob/main/CHANGELOG.md"
25
- Documentation = "https://github.com/rpoteau/pyphyschemtools/blob/main/README.md"
25
+ Documentation = "https://pyphyschemtools.readthedocs.io/en/latest/"
26
26
  Issues = "https://github.com/rpoteau/pyphyschemtools/issues"
27
27
 
28
28
  [build-system]
File without changes