pyphyschemtools 0.2.1__py3-none-any.whl → 0.3.3__py3-none-any.whl

pyphyschemtools/visualID_Eng.py

@@ -82,7 +82,7 @@ def apply_css_style():
     else:
         print(f"[Warning] CSS file not found at {css_path}")
 
-def init(Research=False):
+def init(which=None):
     """
     Initializes the notebook environment: applies CSS, 
     displays the banner, and shows hostname/time.
@@ -94,7 +94,12 @@ def init(Research=False):
     apply_css_style()
     
     # 2. Display the banner
-    banner = "pyPCBanner.svg" if Research else "pyPhysChemBanner.svg"
+    if which == "Research":
+        banner = "pyPC_LPCNO_Banner.svg"
+    elif which== "t4pPC":
+        banner = "tools4pyPC_banner.svg"
+    else:
+        banner = "pyPhysChemBanner.svg"
     banner_path = os.path.join(_PKG_PATH, "resources", "svg", banner)
     
     if os.path.exists(banner_path):

{pyphyschemtools-0.2.1.dist-info → pyphyschemtools-0.3.3.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyphyschemtools
-Version: 0.2.1
+Version: 0.3.3
 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
@@ -10,16 +10,18 @@ Project-URL: Issues, https://github.com/rpoteau/pyphyschemtools/issues
 Requires-Python: >=3.8
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: numpy
-Requires-Dist: pandas
-Requires-Dist: matplotlib
-Requires-Dist: scipy
+Requires-Dist: CageCavityCalc
 Requires-Dist: ipywidgets
 Requires-Dist: jupyter
-Requires-Dist: Pillow
+Requires-Dist: matplotlib
+Requires-Dist: numpy
 Requires-Dist: openpyxl
-Requires-Dist: rdkit
+Requires-Dist: pandas
+Requires-Dist: Pillow
+Requires-Dist: pubchempy
 Requires-Dist: py3Dmol
+Requires-Dist: rdkit
+Requires-Dist: scipy
 Provides-Extra: docs
 Requires-Dist: sphinx; extra == "docs"
 Requires-Dist: sphinx_rtd_theme; extra == "docs"

{pyphyschemtools-0.2.1.dist-info → pyphyschemtools-0.3.3.dist-info}/RECORD

@@ -1,8 +1,9 @@
 pyphyschemtools/.readthedocs.yaml,sha256=ZTw2bOyF9p3JpeF8Ux0fwhYWO6KHCsroNEOvnXxbYGM,469
-pyphyschemtools/Chem3D.py,sha256=zhqUz3g7ubAKLBknsZGWPCuvjhC1V8HyRaDIDqY6vuo,33458
+pyphyschemtools/.visualID_Eng.py.swp,sha256=e47tjB8u-H3ZCAru897onACs2xbR2XhrLBMLhqrrzS8,20480
+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=JIOLN4KtCr8ZUvH8R-l3weEmOY9tJM5L-_bAkEsdMXU,1442
+pyphyschemtools/__init__.py,sha256=7nBVnXdYHPzqR7g16HI-Hu6fy5n_grdTtbCRlXGvynA,1442
 pyphyschemtools/aithermo.py,sha256=kF8wtuYIJzkUKM2AGubmn9haAJKz-XaBskZ7HjivJeY,14984
 pyphyschemtools/cheminformatics.py,sha256=Qps_JSYWOzZQcXwKElI1iWGjWAPDgwmtDKuJwONsKmI,8977
 pyphyschemtools/core.py,sha256=5fRu83b125w2p_m2H521fLjktyswZHJXNKww1wfBwbU,4847
@@ -12,8 +13,8 @@ pyphyschemtools/survey.py,sha256=YjZhhb8GFVNXoXSCxgGdZFqmCtNCx7O_uiFVCcGBYYo,242
 pyphyschemtools/sympyUtilities.py,sha256=LgLloh9dD9Mkff2WNoSnrJa3hxK0axOnK-4GS9wPtT0,1545
 pyphyschemtools/tools4AS.py,sha256=BVfxf6bHnCciBMdQBSJ76Ja_aA-I_iOqQHZuVb-DsdY,44783
 pyphyschemtools/visualID.py,sha256=JlAd5nnZIliHOiKvkToArYhkbty-OntuFGf2CdPbgo8,3061
-pyphyschemtools/visualID_Eng.py,sha256=o-EdCOduo_qruRrr5kkplixaT1t79f3I3M1Ya5TOc_Q,5244
-pyphyschemtools/.ipynb_checkpoints/Chem3D-checkpoint.py,sha256=zhqUz3g7ubAKLBknsZGWPCuvjhC1V8HyRaDIDqY6vuo,33458
+pyphyschemtools/visualID_Eng.py,sha256=W-rYHg4g090JUpTJxtbBZVZ2lXShq8f0ALeiNjFqWD0,5356
+pyphyschemtools/.ipynb_checkpoints/Chem3D-checkpoint.py,sha256=NuhoLvWpeATO88UklXg-3XqPpIiHqvP__b2tLHrypL8,34718
 pyphyschemtools/.ipynb_checkpoints/PeriodicTable-checkpoint.py,sha256=LfLSFOzRkirREQlwfeSR3TyvgHyjGiltIZXNmvBkbhQ,13526
 pyphyschemtools/.ipynb_checkpoints/aithermo-checkpoint.py,sha256=kF8wtuYIJzkUKM2AGubmn9haAJKz-XaBskZ7HjivJeY,14984
 pyphyschemtools/.ipynb_checkpoints/core-checkpoint.py,sha256=5fRu83b125w2p_m2H521fLjktyswZHJXNKww1wfBwbU,4847
@@ -75,15 +76,18 @@ pyphyschemtools/resources/svg/logopyPhyschem_6.webp,sha256=-gDM0QemFMlhS6KDBCHCV
 pyphyschemtools/resources/svg/logopyPhyschem_7.webp,sha256=6ij3TYZWcFcqjwHfO9kI2bEFzZOOwI2fWkuMuz6KObA,140670
 pyphyschemtools/resources/svg/logos-Anaconda-pyPhysChem.png,sha256=PlT2nM90CDZBLedZdK3qTBNmrMKDj_rYiyRGS--feJA,170127
 pyphyschemtools/resources/svg/logos-Anaconda-pyPhysChem.svg,sha256=GWcGrQXKA73-PUzVVCXBr35XnxDh8Hb4F4txEqLd9wY,1949
-pyphyschemtools/resources/svg/pyPCBanner.svg,sha256=VMPxBM5_IVsx8qFDPV7xsyU20AXoOsay0t5l1KxdH4U,314955
+pyphyschemtools/resources/svg/pyPC_LPCNO_Banner.png,sha256=SAPf5fykOrM4x8yWHXEKCIOiK9Hxojb4To1slM5nTsI,129070
+pyphyschemtools/resources/svg/pyPC_LPCNO_Banner.svg,sha256=p-mAeYjw0FsfTN6AyIAqne12DEQ8VSZ9ytBXPmhJ23c,314874
 pyphyschemtools/resources/svg/pyPhysChem-GitHubSocialMediaTemplate.png,sha256=ivb2e70asN15zQmQBPqeOzuDadCIHiW67wRjl1ds1MY,660416
 pyphyschemtools/resources/svg/pyPhysChem-GitHubSocialMediaTemplate.svg,sha256=QfTilq-1wiwVmx05SHtwAGM1Gzihu706-CoyAMyG6Ug,3980384
 pyphyschemtools/resources/svg/pyPhysChemBanner.png,sha256=sK5NwjbEYJvMAAzPBCqwvrBp_jXvYJHsexQAHxxjiE4,201435
 pyphyschemtools/resources/svg/pyPhysChemBanner.svg,sha256=39LrLnFn7R681Hh3YXB3K17Sp0Xp3ynDOGUbXuORQ3s,4388883
 pyphyschemtools/resources/svg/qrcode-pyPhysChem.png,sha256=rP7X-9eHL7HYj4ffmwBMLfQTaRIOyzShVfavRXiomtw,71070
 pyphyschemtools/resources/svg/repository-open-graph-template.png,sha256=UlnW5BMkLGOv6IAnEi7teDYS_5qeSLmpxRMT9r9m-5Q,51470
-pyphyschemtools-0.2.1.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-pyphyschemtools-0.2.1.dist-info/METADATA,sha256=BioidHl3jFOUaFy17bWIswfdStVkoTtR4SIrLi140gA,1273
-pyphyschemtools-0.2.1.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
-pyphyschemtools-0.2.1.dist-info/top_level.txt,sha256=N92w2qk4LQ42OSdzK1R2h_x1CyUFaFBOrOML2RnmFgE,16
-pyphyschemtools-0.2.1.dist-info/RECORD,,
+pyphyschemtools/resources/svg/tools4pyPC_banner.png,sha256=z7o_kBK0sIBsXHEJrT2GyLHu-0T0T3S8YkWcpxR2joA,89058
+pyphyschemtools/resources/svg/tools4pyPC_banner.svg,sha256=BXxXHra9vwahaiet1IJW4q8QLA03crSeCIQYo30VpN8,651579
+pyphyschemtools-0.3.3.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
+pyphyschemtools-0.3.3.dist-info/METADATA,sha256=lcYmJadA_a1zW-_3R39ILS82R6uTeTyvfP6iDelQIaQ,1328
+pyphyschemtools-0.3.3.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
+pyphyschemtools-0.3.3.dist-info/top_level.txt,sha256=N92w2qk4LQ42OSdzK1R2h_x1CyUFaFBOrOML2RnmFgE,16
+pyphyschemtools-0.3.3.dist-info/RECORD,,