PyPI - MoleditPy - Versions diffs - 5.0.0a1__tar.gz → 5.0.0a2__tar.gz - Mend

MoleditPy 5.0.0a1tar.gz → 5.0.0a2tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Files changed (98) hide show

{moleditpy-5.0.0a1 → moleditpy-5.0.0a2}/PKG-INFO RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 5.0.0a1
+Version: 5.0.0a2
 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-Expression: LGPL-3.0-or-later
@@ -60,11 +60,11 @@ See the [user manual](https://hiroyokoyama.github.io/python_molecular_editor/man
 ## Installation
 ```bash
-pip install moleditpy-installer
+python -m pip install moleditpy-installer
 python -m moleditpy_installer
 ```
-The first command installs the same `moleditpy` package on Windows, macOS, and Linux; the second creates an application shortcut. MoleditPy 5 requires Python 3.9–3.14. For an existing environment, uninstall `moleditpy-linux` and `openbabel-wheel` before upgrading. The core uses PySide6-Essentials and does not require Open Babel. Start the app from the shortcut or with:
+The first command installs MoleditPy and the shortcut helper; the second creates shortcuts and file associations. The same `moleditpy` package is used on Windows, macOS, and Linux. MoleditPy 5 requires Python 3.9–3.14. For an existing environment, uninstall `moleditpy-linux` and `openbabel-wheel` before upgrading. The core uses PySide6-Essentials and does not require Open Babel. Start the app from the shortcut or with:
 ```bash
 moleditpy
@@ -74,6 +74,12 @@ The first launch can take a while as RDKit and the other libraries initialize. A
 > **Security note:** the legacy `.pmeraw` project format uses Python pickle, which can execute arbitrary code when loaded. Only open `.pmeraw` files you created yourself, and use the JSON-based `.pmeprj` format for sharing.
+To install the application directly without the shortcut helper:
+```bash
+python -m pip install MoleditPy
+```
 ## Citation
 If you use this software in your work, please cite it as follows:
@@ -86,6 +92,6 @@ Please also cite the plugins you used; see [Citation in the plugin collection](h
 ## License & Disclaimer
-This project is licensed under the GNU Lesser General Public License v3.0 or later (LGPL-3.0-or-later) - see the [LICENSE](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/LICENSE) file for details. As open-source software, it is provided 'as is' without warranty of any kind, and the author assumes no responsibility or liability for the results. Although outputs have been carefully verified, users are strongly encouraged to independently check and validate them for critical applications (such as publications). If you encounter any bugs, please open an issue.
+This project is licensed under the GNU Lesser General Public License v3.0 or later (LGPL-3.0-or-later) - see the [LICENSE](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/LICENSE) file for details. As open-source software, it is provided 'as is' without warranty of any kind, and the author assumes no responsibility or liability for the results. Although outputs have been carefully verified, users are strongly encouraged to independently check and validate them for critical applications (such as publications). If you encounter any bugs, please open an issue.
-Independently developed plugins may use any license, including proprietary licenses. Existing plugins retain their licenses. See [licensing policy](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/LICENSING.md) and [binary distribution instructions](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/DISTRIBUTION.md).
+Independently developed plugins may use any license, including proprietary licenses. Existing plugins retain their licenses. See [licensing policy](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/LICENSING.md) and [binary distribution instructions](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/DISTRIBUTION.md).

{moleditpy-5.0.0a1 → moleditpy-5.0.0a2}/README.md RENAMED Viewed

@@ -27,11 +27,11 @@ See the [user manual](https://hiroyokoyama.github.io/python_molecular_editor/man
 ## Installation
 ```bash
-pip install moleditpy-installer
+python -m pip install moleditpy-installer
 python -m moleditpy_installer
 ```
-The first command installs the same `moleditpy` package on Windows, macOS, and Linux; the second creates an application shortcut. MoleditPy 5 requires Python 3.9–3.14. For an existing environment, uninstall `moleditpy-linux` and `openbabel-wheel` before upgrading. The core uses PySide6-Essentials and does not require Open Babel. Start the app from the shortcut or with:
+The first command installs MoleditPy and the shortcut helper; the second creates shortcuts and file associations. The same `moleditpy` package is used on Windows, macOS, and Linux. MoleditPy 5 requires Python 3.9–3.14. For an existing environment, uninstall `moleditpy-linux` and `openbabel-wheel` before upgrading. The core uses PySide6-Essentials and does not require Open Babel. Start the app from the shortcut or with:
 ```bash
 moleditpy
@@ -41,6 +41,12 @@ The first launch can take a while as RDKit and the other libraries initialize. A
 > **Security note:** the legacy `.pmeraw` project format uses Python pickle, which can execute arbitrary code when loaded. Only open `.pmeraw` files you created yourself, and use the JSON-based `.pmeprj` format for sharing.
+To install the application directly without the shortcut helper:
+```bash
+python -m pip install MoleditPy
+```
 ## Citation
 If you use this software in your work, please cite it as follows:
@@ -53,6 +59,6 @@ Please also cite the plugins you used; see [Citation in the plugin collection](h
 ## License & Disclaimer
-This project is licensed under the GNU Lesser General Public License v3.0 or later (LGPL-3.0-or-later) - see the [LICENSE](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/LICENSE) file for details. As open-source software, it is provided 'as is' without warranty of any kind, and the author assumes no responsibility or liability for the results. Although outputs have been carefully verified, users are strongly encouraged to independently check and validate them for critical applications (such as publications). If you encounter any bugs, please open an issue.
+This project is licensed under the GNU Lesser General Public License v3.0 or later (LGPL-3.0-or-later) - see the [LICENSE](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/LICENSE) file for details. As open-source software, it is provided 'as is' without warranty of any kind, and the author assumes no responsibility or liability for the results. Although outputs have been carefully verified, users are strongly encouraged to independently check and validate them for critical applications (such as publications). If you encounter any bugs, please open an issue.
-Independently developed plugins may use any license, including proprietary licenses. Existing plugins retain their licenses. See [licensing policy](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/LICENSING.md) and [binary distribution instructions](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/DISTRIBUTION.md).
+Independently developed plugins may use any license, including proprietary licenses. Existing plugins retain their licenses. See [licensing policy](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/LICENSING.md) and [binary distribution instructions](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/DISTRIBUTION.md).

{moleditpy-5.0.0a1 → moleditpy-5.0.0a2}/pyproject.toml RENAMED Viewed

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
-version = "5.0.0a1"
+version = "5.0.0a2"
 license = "LGPL-3.0-or-later"
 license-files = ["LICENSE", "COPYING", "THIRD_PARTY_NOTICES.md", "DISTRIBUTION.md", "LICENSING.md"]

{moleditpy-5.0.0a1 → moleditpy-5.0.0a2}/src/MoleditPy.egg-info/PKG-INFO RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 5.0.0a1
+Version: 5.0.0a2
 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-Expression: LGPL-3.0-or-later
@@ -60,11 +60,11 @@ See the [user manual](https://hiroyokoyama.github.io/python_molecular_editor/man
 ## Installation
 ```bash
-pip install moleditpy-installer
+python -m pip install moleditpy-installer
 python -m moleditpy_installer
 ```
-The first command installs the same `moleditpy` package on Windows, macOS, and Linux; the second creates an application shortcut. MoleditPy 5 requires Python 3.9–3.14. For an existing environment, uninstall `moleditpy-linux` and `openbabel-wheel` before upgrading. The core uses PySide6-Essentials and does not require Open Babel. Start the app from the shortcut or with:
+The first command installs MoleditPy and the shortcut helper; the second creates shortcuts and file associations. The same `moleditpy` package is used on Windows, macOS, and Linux. MoleditPy 5 requires Python 3.9–3.14. For an existing environment, uninstall `moleditpy-linux` and `openbabel-wheel` before upgrading. The core uses PySide6-Essentials and does not require Open Babel. Start the app from the shortcut or with:
 ```bash
 moleditpy
@@ -74,6 +74,12 @@ The first launch can take a while as RDKit and the other libraries initialize. A
 > **Security note:** the legacy `.pmeraw` project format uses Python pickle, which can execute arbitrary code when loaded. Only open `.pmeraw` files you created yourself, and use the JSON-based `.pmeprj` format for sharing.
+To install the application directly without the shortcut helper:
+```bash
+python -m pip install MoleditPy
+```
 ## Citation
 If you use this software in your work, please cite it as follows:
@@ -86,6 +92,6 @@ Please also cite the plugins you used; see [Citation in the plugin collection](h
 ## License & Disclaimer
-This project is licensed under the GNU Lesser General Public License v3.0 or later (LGPL-3.0-or-later) - see the [LICENSE](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/LICENSE) file for details. As open-source software, it is provided 'as is' without warranty of any kind, and the author assumes no responsibility or liability for the results. Although outputs have been carefully verified, users are strongly encouraged to independently check and validate them for critical applications (such as publications). If you encounter any bugs, please open an issue.
+This project is licensed under the GNU Lesser General Public License v3.0 or later (LGPL-3.0-or-later) - see the [LICENSE](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/LICENSE) file for details. As open-source software, it is provided 'as is' without warranty of any kind, and the author assumes no responsibility or liability for the results. Although outputs have been carefully verified, users are strongly encouraged to independently check and validate them for critical applications (such as publications). If you encounter any bugs, please open an issue.
-Independently developed plugins may use any license, including proprietary licenses. Existing plugins retain their licenses. See [licensing policy](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/LICENSING.md) and [binary distribution instructions](https://github.com/HiroYokoyama/python_molecular_editor/blob/main/DISTRIBUTION.md).
+Independently developed plugins may use any license, including proprietary licenses. Existing plugins retain their licenses. See [licensing policy](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/LICENSING.md) and [binary distribution instructions](https://github.com/HiroYokoyama/python_molecular_editor/blob/v5.0.0a1/DISTRIBUTION.md).

{moleditpy-5.0.0a1 → moleditpy-5.0.0a2}/src/moleditpy/ui/ui_manager.py RENAMED Viewed

@@ -40,7 +40,7 @@ class UIManager(QObject):
     def __init__(self, host: Any) -> None:
         """Initialize UIManager coordinating UI state and viewport events."""
-        super().__init__()
+        super().__init__(host if isinstance(host, QObject) else None)
         self.is_2d_editable = False
         self.host = host