moleditpy 1.2.4__tar.gz → 1.2.5__tar.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.
- {moleditpy-1.2.4 → moleditpy-1.2.5}/PKG-INFO +1 -1
- {moleditpy-1.2.4 → moleditpy-1.2.5}/pyproject.toml +1 -1
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy/main.py +3 -1
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy.egg-info/PKG-INFO +1 -1
- {moleditpy-1.2.4 → moleditpy-1.2.5}/README.md +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/setup.cfg +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy/__init__.py +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy/assets/icon.ico +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy/assets/icon.png +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy.egg-info/SOURCES.txt +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy.egg-info/dependency_links.txt +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy.egg-info/entry_points.txt +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy.egg-info/requires.txt +0 -0
- {moleditpy-1.2.4 → moleditpy-1.2.5}/src/moleditpy.egg-info/top_level.txt +0 -0
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@@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: moleditpy
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Version: 1.2.
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Version: 1.2.5
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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.
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Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
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Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor
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@@ -11,7 +11,7 @@ DOI 10.5281/zenodo.17268532
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"""
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#Version
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VERSION = '1.2.
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VERSION = '1.2.5'
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print("-----------------------------------------------------")
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print("MoleditPy — A Python-based molecular editing software")
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try:
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self.current_mol = Chem.Mol(loaded_data['mol_3d'])
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self.draw_molecule_3d(self.current_mol)
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self.plotter.reset_camera()
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self.analysis_action.setEnabled(True)
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self.optimize_3d_button.setEnabled(True)
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self.export_button.setEnabled(True)
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self.set_state_from_data(loaded_data)
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self.statusBar().showMessage(f"Project loaded from {file_path}")
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self.reset_undo_stack()
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self.fit_to_view()
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except Exception as e: self.statusBar().showMessage(f"Error loading project file: {e}")
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def save_as_mol(self):
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Metadata-Version: 2.4
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Name: moleditpy
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Version: 1.2.
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Version: 1.2.5
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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.
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Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
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Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor
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