pyphyschemtools 0.3.4__tar.gz → 0.3.5__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 (206) hide show
  1. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/PKG-INFO +1 -1
  2. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/doctrees/environment.pickle +0 -0
  3. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/doctrees/pyphyschemtools.doctree +0 -0
  4. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/html/pyphyschemtools.html +6 -8
  5. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/pyphyschemtools/.ipynb_checkpoints/kinetics-checkpoint.py +5 -5
  6. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/pyphyschemtools/__init__.py +1 -1
  7. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/pyphyschemtools/kinetics.py +5 -5
  8. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/pyphyschemtools.egg-info/PKG-INFO +1 -1
  9. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/pyproject.toml +1 -1
  10. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/CHANGELOG.md +0 -0
  11. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/Examples.ipynb +0 -0
  12. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/LICENSE +0 -0
  13. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/MANIFEST.in +0 -0
  14. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/README.md +0 -0
  15. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/Makefile +0 -0
  16. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/doctrees/index.doctree +0 -0
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  19. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/doctrees/theory/Kinetics_KORD.doctree +0 -0
  20. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/html/.buildinfo +0 -0
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  28. {pyphyschemtools-0.3.4 → pyphyschemtools-0.3.5}/docs/build/html/_sources/theory/Kinetics_KORD.md.txt +0 -0
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@@ -1,6 +1,6 @@
1
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  Metadata-Version: 2.4
2
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  Name: pyphyschemtools
3
- Version: 0.3.4
3
+ Version: 0.3.5
4
4
  Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
5
5
  Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
6
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  Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools
@@ -821,14 +821,12 @@ verbose=True: prints the initial guess vector p0</p>
821
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  <dd><p>Static method to extract data from an Excel file.
822
822
  Selects the pair of columns (t, G) corresponding to the experiment number.
823
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  Also loads parameters (A0, alpha, beta)
824
- Format:</p>
825
- <blockquote>
826
- <div><p>Row 1: Headers for t and G
827
- Row 2: [A]0 value (in the G column)
828
- Row 3: alpha value (in the G column)
829
- Row 4: beta value (in the G column)
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- Row 5+: [t, G] data points</p>
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- </div></blockquote>
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+ Format:
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+ - Row 1: Headers for t and G
826
+ - Row 2: [A]0 value (in the G column)
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+ - Row 3: alpha value (in the G column)
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+ - Row 4: beta value (in the G column)
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+ - Row 5+: [t, G] data points</p>
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  </dd></dl>
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  <dl class="py method">
@@ -63,11 +63,11 @@ class KORD:
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  Selects the pair of columns (t, G) corresponding to the experiment number.
64
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  Also loads parameters (A0, alpha, beta)
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  Format:
66
- Row 1: Headers for t and G
67
- Row 2: [A]0 value (in the G column)
68
- Row 3: alpha value (in the G column)
69
- Row 4: beta value (in the G column)
70
- Row 5+: [t, G] data points
66
+ - Row 1: Headers for t and G
67
+ - Row 2: [A]0 value (in the G column)
68
+ - Row 3: alpha value (in the G column)
69
+ - Row 4: beta value (in the G column)
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+ - Row 5+: [t, G] data points
71
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  """
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  # 1. Check if file exists
73
73
  if not os.path.exists(file_path):
@@ -1,5 +1,5 @@
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  # tools4pyPhysChem/__init__.py
2
- __version__ = "0.3.4"
2
+ __version__ = "0.3.5"
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  __last_update__ = "2026-02-03"
4
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5
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  import importlib
@@ -63,11 +63,11 @@ class KORD:
63
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  Selects the pair of columns (t, G) corresponding to the experiment number.
64
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  Also loads parameters (A0, alpha, beta)
65
65
  Format:
66
- Row 1: Headers for t and G
67
- Row 2: [A]0 value (in the G column)
68
- Row 3: alpha value (in the G column)
69
- Row 4: beta value (in the G column)
70
- Row 5+: [t, G] data points
66
+ - Row 1: Headers for t and G
67
+ - Row 2: [A]0 value (in the G column)
68
+ - Row 3: alpha value (in the G column)
69
+ - Row 4: beta value (in the G column)
70
+ - Row 5+: [t, G] data points
71
71
  """
72
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  # 1. Check if file exists
73
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  if not os.path.exists(file_path):
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pyphyschemtools
3
- Version: 0.3.4
3
+ Version: 0.3.5
4
4
  Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
5
5
  Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
6
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  Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools
@@ -1,6 +1,6 @@
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1
  [project]
2
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  name = "pyphyschemtools"
3
- version = "0.3.4"
3
+ version = "0.3.5"
4
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  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"
File without changes