MoleditPy-linux 3.3.0__tar.gz → 3.3.1__tar.gz

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 3.3.0
+Version: 3.3.1
 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
@@ -712,8 +712,10 @@ Dynamic: license-file
 ![Core Logic Coverage](https://img.shields.io/badge/core_logic_coverage->80%25-green)
 ![Overall Coverage](https://img.shields.io/badge/coverage->75%25-green)
 ![GUI Status](https://img.shields.io/badge/GUI-Manually_Verified-blue)
-![Pylint Score](https://img.shields.io/badge/pylint-9%2F10-brightgreen)
+![Pylint Score](https://img.shields.io/badge/pylint->9%2F10-brightgreen)
 [![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)
 
 [🇯🇵 日本語 (Japanese)](#japanese)
 
@@ -839,6 +841,14 @@ moleditpy
 
 This project is licensed under the **GNU General Public License v3.0 (GPL-v3)**. See the `LICENSE` file for details.
 
+## Citation
+
+If you use this software in your work, please cite it as follows:
+
+```
+Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Zenodo. https://doi.org/10.5281/zenodo.17268532
+```
+
 -----
 
 <div id="japanese"></div>
@@ -962,3 +972,11 @@ moleditpy
 ## ライセンス
 
 このプロジェクトは **GNU General Public License v3.0 (GPL-v3)** のもとで公開されています。詳細は `LICENSE` ファイルを参照してください。
+
+## 引用
+
+本ソフトウェアを研究で使用される場合は、以下の通り引用を明記してください。
+
+```
+Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Zenodo. https://doi.org/10.5281/zenodo.17268532
+```

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/README.md

@@ -9,8 +9,10 @@
 ![Core Logic Coverage](https://img.shields.io/badge/core_logic_coverage->80%25-green)
 ![Overall Coverage](https://img.shields.io/badge/coverage->75%25-green)
 ![GUI Status](https://img.shields.io/badge/GUI-Manually_Verified-blue)
-![Pylint Score](https://img.shields.io/badge/pylint-9%2F10-brightgreen)
+![Pylint Score](https://img.shields.io/badge/pylint->9%2F10-brightgreen)
 [![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)
 
 [🇯🇵 日本語 (Japanese)](#japanese)
 
@@ -136,6 +138,14 @@ moleditpy
 
 This project is licensed under the **GNU General Public License v3.0 (GPL-v3)**. See the `LICENSE` file for details.
 
+## Citation
+
+If you use this software in your work, please cite it as follows:
+
+```
+Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Zenodo. https://doi.org/10.5281/zenodo.17268532
+```
+
 -----
 
 <div id="japanese"></div>
@@ -259,3 +269,11 @@ moleditpy
 ## ライセンス
 
 このプロジェクトは **GNU General Public License v3.0 (GPL-v3)** のもとで公開されています。詳細は `LICENSE` ファイルを参照してください。
+
+## 引用
+
+本ソフトウェアを研究で使用される場合は、以下の通り引用を明記してください。
+
+```
+Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Zenodo. https://doi.org/10.5281/zenodo.17268532
+```

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy-linux"
 
-version = "3.3.0"
+version = "3.3.1"
 
 license = {file = "LICENSE"}
 

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/src/MoleditPy_linux.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 3.3.0
+Version: 3.3.1
 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
@@ -712,8 +712,10 @@ Dynamic: license-file
 ![Core Logic Coverage](https://img.shields.io/badge/core_logic_coverage->80%25-green)
 ![Overall Coverage](https://img.shields.io/badge/coverage->75%25-green)
 ![GUI Status](https://img.shields.io/badge/GUI-Manually_Verified-blue)
-![Pylint Score](https://img.shields.io/badge/pylint-9%2F10-brightgreen)
+![Pylint Score](https://img.shields.io/badge/pylint->9%2F10-brightgreen)
 [![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)
 
 [🇯🇵 日本語 (Japanese)](#japanese)
 
@@ -839,6 +841,14 @@ moleditpy
 
 This project is licensed under the **GNU General Public License v3.0 (GPL-v3)**. See the `LICENSE` file for details.
 
+## Citation
+
+If you use this software in your work, please cite it as follows:
+
+```
+Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Zenodo. https://doi.org/10.5281/zenodo.17268532
+```
+
 -----
 
 <div id="japanese"></div>
@@ -962,3 +972,11 @@ moleditpy
 ## ライセンス
 
 このプロジェクトは **GNU General Public License v3.0 (GPL-v3)** のもとで公開されています。詳細は `LICENSE` ファイルを参照してください。
+
+## 引用
+
+本ソフトウェアを研究で使用される場合は、以下の通り引用を明記してください。
+
+```
+Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Zenodo. https://doi.org/10.5281/zenodo.17268532
+```

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/src/moleditpy_linux/__init__.py

@@ -18,3 +18,5 @@ try:
     OBABEL_AVAILABLE = False
 except ImportError:
     OBABEL_AVAILABLE = False
+
+from .utils.constants import VERSION as __version__

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/src/moleditpy_linux/ui/view_3d_logic.py

@@ -1632,7 +1632,7 @@ class View3DManager:
 
         # Color definitions (dark blue/green/red)
         rdkit_color = "#003366"  # Dark blue
-        id_color = "#006400"  # Dark green
+        id_color = "#009000"  # Green
         xyz_color = "#8B0000"  # Dark red
         other_color = "black"
 

{moleditpy_linux-3.3.0 → moleditpy_linux-3.3.1}/src/moleditpy_linux/utils/constants.py

@@ -12,11 +12,41 @@ DOI: 10.5281/zenodo.17268532
 
 # --- Constants ---
 
+import os
 from PyQt6.QtGui import QColor, QFont
 from rdkit import Chem
 
+
+def _get_version():
+    try:
+        from importlib.metadata import version, PackageNotFoundError
+
+        try:
+            return version("MoleditPy-linux")
+        except PackageNotFoundError:
+            pass
+    except ImportError:
+        pass
+
+    try:
+        # Fallback: Parse pyproject.toml directly
+        current_dir = os.path.abspath(os.path.dirname(__file__))
+        for _ in range(5):
+            pyproject_path = os.path.join(current_dir, "pyproject.toml")
+            if os.path.exists(pyproject_path):
+                with open(pyproject_path, "r", encoding="utf-8") as f:
+                    for line in f:
+                        if line.strip().startswith("version ="):
+                            return line.split("=")[1].strip().strip('"').strip("'")
+            current_dir = os.path.dirname(current_dir)
+    except Exception:
+        pass
+
+    return "Unknown"
+
+
 # Version
-VERSION = "3.3.0"
+VERSION = _get_version()
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5