rowan-python 3.0.11__tar.gz → 3.0.12__tar.gz

{rowan_python-3.0.11 → rowan_python-3.0.12}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: rowan-python
-Version: 3.0.11
+Version: 3.0.12
 Summary: Rowan Python Library
 Project-URL: Homepage, https://github.com/rowansci/rowan-client
 Project-URL: Bug Tracker, https://github.com/rowansci/rowan-client/issues

{rowan_python-3.0.11 → rowan_python-3.0.12}/mkdocs.yml

@@ -28,7 +28,6 @@ plugins:
             unwrap_annotated: true
 nav:
   - Core API: index.md
-  - Rowan RDKit: rowan_rdkit.md
   - "← docs.rowansci.com": https://docs.rowansci.com
 
 extra:

{rowan_python-3.0.11 → rowan_python-3.0.12}/pixi.lock

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{rowan_python-3.0.11 → rowan_python-3.0.12}/pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "rowan-python"
-version = "3.0.11"
+version = "3.0.12"
 description = "Rowan Python Library"
 readme = "README.md"
 requires-python = ">=3.12"

rowan_python-3.0.11/docs/rowan_rdkit.md

@@ -1,8 +0,0 @@
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-      show_root_heading: false
-      show_root_toc_entry: false
-      members_order: source        # show items in the order they appear in code
-      group_by_category: true      # adds “Classes”, “Functions”, … headings -->

rowan_python-3.0.11/rowan/rowan_rdkit/__init__.py

@@ -1,29 +0,0 @@
-from .chem_utils import (
-    batch_charges,
-    batch_conformers,
-    batch_energy,
-    batch_optimize,
-    batch_pka,
-    batch_tautomers,
-    run_charges,
-    run_conformers,
-    run_energy,
-    run_optimize,
-    run_pka,
-    run_tautomers,
-)
-
-__all__ = [
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-    "batch_conformers",
-    "batch_energy",
-    "batch_optimize",
-    "batch_pka",
-    "batch_tautomers",
-    "run_charges",
-    "run_conformers",
-    "run_energy",
-    "run_optimize",
-    "run_pka",
-    "run_tautomers",
-]