MoleditPy 3.4.0__tar.gz → 3.4.1__tar.gz

{moleditpy-3.4.0 → moleditpy-3.4.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.4.0
+Version: 3.4.1
 Summary: A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.
 Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
 License:                     GNU GENERAL PUBLIC LICENSE
@@ -698,7 +698,7 @@ Requires-Dist: pyqt6<6.10; sys_platform == "darwin"
 Requires-Dist: pyqt6<6.11; sys_platform != "darwin"
 Requires-Dist: pyvista<0.48
 Requires-Dist: pyvistaqt<0.12
-Requires-Dist: rdkit<2025.10
+Requires-Dist: rdkit<2026.4
 Requires-Dist: openbabel-wheel<3.2
 Dynamic: license-file
 
@@ -717,6 +717,7 @@ Dynamic: license-file
 [![PyPI Downloads](https://static.pepy.tech/personalized-badge/moleditpy?period=total&units=INTERNATIONAL_SYSTEM&left_color=BLACK&right_color=GREEN&left_text=downloads)](https://pepy.tech/projects/moleditpy)
 [![PyPI Downloads](https://static.pepy.tech/personalized-badge/moleditpy?period=monthly&units=INTERNATIONAL_SYSTEM&left_color=BLACK&right_color=GREEN&left_text=monthly+downloads)](https://pepy.tech/projects/moleditpy)
 [![Ask DeepWiki](https://deepwiki.com/badge.svg)](https://deepwiki.com/HiroYokoyama/python_molecular_editor)
+[![](https://img.shields.io/static/v1?label=Sponsor&message=%E2%9D%A4&logo=GitHub&color=%23fe8e86)](https://github.com/sponsors/HiroYokoyama)
 
 [🇯🇵 日本語 (Japanese)](#japanese)
 

{moleditpy-3.4.0 → moleditpy-3.4.1}/README.md

@@ -13,6 +13,7 @@
 [![PyPI Downloads](https://static.pepy.tech/personalized-badge/moleditpy?period=total&units=INTERNATIONAL_SYSTEM&left_color=BLACK&right_color=GREEN&left_text=downloads)](https://pepy.tech/projects/moleditpy)
 [![PyPI Downloads](https://static.pepy.tech/personalized-badge/moleditpy?period=monthly&units=INTERNATIONAL_SYSTEM&left_color=BLACK&right_color=GREEN&left_text=monthly+downloads)](https://pepy.tech/projects/moleditpy)
 [![Ask DeepWiki](https://deepwiki.com/badge.svg)](https://deepwiki.com/HiroYokoyama/python_molecular_editor)
+[![](https://img.shields.io/static/v1?label=Sponsor&message=%E2%9D%A4&logo=GitHub&color=%23fe8e86)](https://github.com/sponsors/HiroYokoyama)
 
 [🇯🇵 日本語 (Japanese)](#japanese)
 

{moleditpy-3.4.0 → moleditpy-3.4.1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "3.4.0"
+version = "3.4.1"
 
 license = {file = "LICENSE"}
 
@@ -38,7 +38,7 @@ dependencies = [
   "pyqt6 < 6.11; sys_platform != 'darwin'",
   "pyvista < 0.48",
   "pyvistaqt < 0.12",
-  "rdkit < 2025.10",
+  "rdkit < 2026.4",
   "openbabel-wheel < 3.2"
 ]
 

{moleditpy-3.4.0 → moleditpy-3.4.1}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.4.0
+Version: 3.4.1
 Summary: A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.
 Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
 License:                     GNU GENERAL PUBLIC LICENSE
@@ -698,7 +698,7 @@ Requires-Dist: pyqt6<6.10; sys_platform == "darwin"
 Requires-Dist: pyqt6<6.11; sys_platform != "darwin"
 Requires-Dist: pyvista<0.48
 Requires-Dist: pyvistaqt<0.12
-Requires-Dist: rdkit<2025.10
+Requires-Dist: rdkit<2026.4
 Requires-Dist: openbabel-wheel<3.2
 Dynamic: license-file
 
@@ -717,6 +717,7 @@ Dynamic: license-file
 [![PyPI Downloads](https://static.pepy.tech/personalized-badge/moleditpy?period=total&units=INTERNATIONAL_SYSTEM&left_color=BLACK&right_color=GREEN&left_text=downloads)](https://pepy.tech/projects/moleditpy)
 [![PyPI Downloads](https://static.pepy.tech/personalized-badge/moleditpy?period=monthly&units=INTERNATIONAL_SYSTEM&left_color=BLACK&right_color=GREEN&left_text=monthly+downloads)](https://pepy.tech/projects/moleditpy)
 [![Ask DeepWiki](https://deepwiki.com/badge.svg)](https://deepwiki.com/HiroYokoyama/python_molecular_editor)
+[![](https://img.shields.io/static/v1?label=Sponsor&message=%E2%9D%A4&logo=GitHub&color=%23fe8e86)](https://github.com/sponsors/HiroYokoyama)
 
 [🇯🇵 日本語 (Japanese)](#japanese)
 

{moleditpy-3.4.0 → moleditpy-3.4.1}/src/MoleditPy.egg-info/requires.txt

@@ -1,7 +1,7 @@
 numpy
 pyvista<0.48
 pyvistaqt<0.12
-rdkit<2025.10
+rdkit<2026.4
 openbabel-wheel<3.2
 
 [:sys_platform != "darwin"]

{moleditpy-3.4.0 → moleditpy-3.4.1}/src/moleditpy/ui/calculation_worker.py

@@ -724,7 +724,7 @@ class CalculationWorker(QObject):
 
     def __init__(self, parent: Optional[QObject] = None) -> None:
         super().__init__(parent)
-        self.halt_ids: Optional[Set[int]] = None
+        self.halt_ids: Optional[Set[Any]] = None
         self.start_work.connect(self.run_calculation)
 
     @pyqtSlot(str, object)
@@ -739,13 +739,15 @@ class CalculationWorker(QObject):
             h_ids = getattr(self, "halt_ids", None)
             if getattr(self, "halt_all", False):
                 return True  # type: ignore[return-value]
-            if h_ids is None:
+            if not isinstance(h_ids, set):
                 return False
+            # pylint: disable=unsupported-membership-test
             return bool(
                 ("ALL" in h_ids)
                 or (None in h_ids)
                 or (w_id is not None and w_id in h_ids)
             )
+            # pylint: enable=unsupported-membership-test
 
         def _safe_status(msg: str) -> None:
             if _check_halted():