pyphyschemtools 0.3.4__py3-none-any.whl → 0.3.6__py3-none-any.whl

pyphyschemtools/.ipynb_checkpoints/kinetics-checkpoint.py

@@ -62,12 +62,14 @@ class KORD:
         Static method to extract data from an Excel file.
         Selects the pair of columns (t, G) corresponding to the experiment number.
         Also loads parameters (A0, alpha, beta)
+        
         Format:
-            Row 1: Headers for t and G
-            Row 2: [A]0 value (in the G column)
-            Row 3: alpha value (in the G column)
-            Row 4: beta value (in the G column)
-            Row 5+: [t, G] data points
+            - Row 1: Headers for t and G
+            - Row 2: [A]0 value (in the G column)
+            - Row 3: alpha value (in the G column)
+            - Row 4: beta value (in the G column)
+            - Row 5+: [t, G] data points
+        
         """
         # 1. Check if file exists
         if not os.path.exists(file_path):

pyphyschemtools/__init__.py

@@ -1,5 +1,5 @@
 # tools4pyPhysChem/__init__.py
-__version__ = "0.3.4"
+__version__ = "0.3.6"
 __last_update__ = "2026-02-03"
 
 import importlib

pyphyschemtools/kinetics.py

@@ -62,12 +62,14 @@ class KORD:
         Static method to extract data from an Excel file.
         Selects the pair of columns (t, G) corresponding to the experiment number.
         Also loads parameters (A0, alpha, beta)
+        
         Format:
-            Row 1: Headers for t and G
-            Row 2: [A]0 value (in the G column)
-            Row 3: alpha value (in the G column)
-            Row 4: beta value (in the G column)
-            Row 5+: [t, G] data points
+            - Row 1: Headers for t and G
+            - Row 2: [A]0 value (in the G column)
+            - Row 3: alpha value (in the G column)
+            - Row 4: beta value (in the G column)
+            - Row 5+: [t, G] data points
+        
         """
         # 1. Check if file exists
         if not os.path.exists(file_path):

{pyphyschemtools-0.3.4.dist-info → pyphyschemtools-0.3.6.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyphyschemtools
-Version: 0.3.4
+Version: 0.3.6
 Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
 Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
 Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools

{pyphyschemtools-0.3.4.dist-info → pyphyschemtools-0.3.6.dist-info}/RECORD

@@ -2,11 +2,11 @@ pyphyschemtools/.readthedocs.yaml,sha256=ZTw2bOyF9p3JpeF8Ux0fwhYWO6KHCsroNEOvnXx
 pyphyschemtools/Chem3D.py,sha256=NuhoLvWpeATO88UklXg-3XqPpIiHqvP__b2tLHrypL8,34718
 pyphyschemtools/ML.py,sha256=kR_5vm5TOOjVef8uXCW57y7685ts6K6OkRMBYKP_cYw,1599
 pyphyschemtools/PeriodicTable.py,sha256=LfLSFOzRkirREQlwfeSR3TyvgHyjGiltIZXNmvBkbhQ,13526
-pyphyschemtools/__init__.py,sha256=CqTWs1geGKDrA9V_CnzNFTukpwQ8-z9qQl7FwluLrqo,1442
+pyphyschemtools/__init__.py,sha256=_RzWdTbM6pODtsfncaDEb4rtTgbdjSBEVgzGUml96XE,1442
 pyphyschemtools/aithermo.py,sha256=kF8wtuYIJzkUKM2AGubmn9haAJKz-XaBskZ7HjivJeY,14984
 pyphyschemtools/cheminformatics.py,sha256=Qps_JSYWOzZQcXwKElI1iWGjWAPDgwmtDKuJwONsKmI,8977
 pyphyschemtools/core.py,sha256=5fRu83b125w2p_m2H521fLjktyswZHJXNKww1wfBwbU,4847
-pyphyschemtools/kinetics.py,sha256=IVZSY38ai9yO8GyMVXpywfzKMZ6K8Q3n-2UiElOoCyA,11737
+pyphyschemtools/kinetics.py,sha256=QAYwX7UTQel40iSZr8TIgBQuViLw7LsGiNPpLyOOsho,11765
 pyphyschemtools/spectra.py,sha256=eCN9X6pK5k4KMcfWUskedWYwtxbrmJH_BvFXU1GZfVo,21702
 pyphyschemtools/survey.py,sha256=YjZhhb8GFVNXoXSCxgGdZFqmCtNCx7O_uiFVCcGBYYo,24268
 pyphyschemtools/sympyUtilities.py,sha256=LgLloh9dD9Mkff2WNoSnrJa3hxK0axOnK-4GS9wPtT0,1545
@@ -18,7 +18,7 @@ pyphyschemtools/.ipynb_checkpoints/PeriodicTable-checkpoint.py,sha256=LfLSFOzRki
 pyphyschemtools/.ipynb_checkpoints/aithermo-checkpoint.py,sha256=kF8wtuYIJzkUKM2AGubmn9haAJKz-XaBskZ7HjivJeY,14984
 pyphyschemtools/.ipynb_checkpoints/cheminformatics-checkpoint.py,sha256=Qps_JSYWOzZQcXwKElI1iWGjWAPDgwmtDKuJwONsKmI,8977
 pyphyschemtools/.ipynb_checkpoints/core-checkpoint.py,sha256=5fRu83b125w2p_m2H521fLjktyswZHJXNKww1wfBwbU,4847
-pyphyschemtools/.ipynb_checkpoints/kinetics-checkpoint.py,sha256=IVZSY38ai9yO8GyMVXpywfzKMZ6K8Q3n-2UiElOoCyA,11737
+pyphyschemtools/.ipynb_checkpoints/kinetics-checkpoint.py,sha256=QAYwX7UTQel40iSZr8TIgBQuViLw7LsGiNPpLyOOsho,11765
 pyphyschemtools/.ipynb_checkpoints/spectra-checkpoint.py,sha256=eCN9X6pK5k4KMcfWUskedWYwtxbrmJH_BvFXU1GZfVo,21702
 pyphyschemtools/.ipynb_checkpoints/survey-checkpoint.py,sha256=Rcw0xb0_nwsxETleB1C2xjKmZfrUw4PXDm48CMSptHU,45816
 pyphyschemtools/.ipynb_checkpoints/sympyUtilities-checkpoint.py,sha256=LgLloh9dD9Mkff2WNoSnrJa3hxK0axOnK-4GS9wPtT0,1545
@@ -87,8 +87,8 @@ pyphyschemtools/resources/svg/qrcode-pyPhysChem.png,sha256=rP7X-9eHL7HYj4ffmwBML
 pyphyschemtools/resources/svg/repository-open-graph-template.png,sha256=UlnW5BMkLGOv6IAnEi7teDYS_5qeSLmpxRMT9r9m-5Q,51470
 pyphyschemtools/resources/svg/tools4pyPC_banner.png,sha256=z7o_kBK0sIBsXHEJrT2GyLHu-0T0T3S8YkWcpxR2joA,89058
 pyphyschemtools/resources/svg/tools4pyPC_banner.svg,sha256=BXxXHra9vwahaiet1IJW4q8QLA03crSeCIQYo30VpN8,651579
-pyphyschemtools-0.3.4.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-pyphyschemtools-0.3.4.dist-info/METADATA,sha256=hb_ShyL8oPomJKdJODh18tFkUEnkjNkrn1M4PvRTE58,1328
-pyphyschemtools-0.3.4.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
-pyphyschemtools-0.3.4.dist-info/top_level.txt,sha256=N92w2qk4LQ42OSdzK1R2h_x1CyUFaFBOrOML2RnmFgE,16
-pyphyschemtools-0.3.4.dist-info/RECORD,,
+pyphyschemtools-0.3.6.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
+pyphyschemtools-0.3.6.dist-info/METADATA,sha256=c6ZOTlLTXlJupjPoeUs0NHTVm4CJ39HcITVyaJ71meg,1328
+pyphyschemtools-0.3.6.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
+pyphyschemtools-0.3.6.dist-info/top_level.txt,sha256=N92w2qk4LQ42OSdzK1R2h_x1CyUFaFBOrOML2RnmFgE,16
+pyphyschemtools-0.3.6.dist-info/RECORD,,