├── .github └── workflows │ └── actions.yml ├── .gitignore ├── CITATION.bib ├── DEVELOPER.md ├── LICENSE ├── MANIFEST.in ├── README.md ├── Screenshots ├── Main_window.png ├── Side_bar.png └── Top_Menu.png ├── pyproject.toml ├── rdeditor ├── Mendelev_extract.py ├── __init__.py ├── icon_themes │ ├── dark │ │ ├── application │ │ │ ├── Change_E_Z.png │ │ │ ├── Change_E_Z.svg │ │ │ ├── Change_R_S.png │ │ │ ├── CleanupChem.png │ │ │ ├── RecalcCoord.png │ │ │ ├── about.png │ │ │ ├── appicon.png │ │ │ ├── atommapnumber.png │ │ │ ├── benzene.png │ │ │ ├── calc.png │ │ │ ├── convert.sh │ │ │ ├── cyclohexane.png │ │ │ ├── exit.png │ │ │ ├── grid.png │ │ │ ├── icons8-Broom.png │ │ │ ├── icons8-Bulleted List.png │ │ │ ├── icons8-Cancel.png │ │ │ ├── icons8-Carbon.png │ │ │ ├── icons8-Cursor.png │ │ │ ├── icons8-Decrease Font.png │ │ │ ├── icons8-Delete.png │ │ │ ├── icons8-Double.png │ │ │ ├── icons8-Edit.png │ │ │ ├── icons8-Exit.png │ │ │ ├── icons8-Hydrogen.png │ │ │ ├── icons8-Increase Font.png │ │ │ ├── icons8-Info.png │ │ │ ├── icons8-Left.png │ │ │ ├── icons8-Line.png │ │ │ ├── icons8-Minus.png │ │ │ ├── icons8-Molecule.png │ │ │ ├── icons8-Open.png │ │ │ ├── icons8-Oxygen.png │ │ │ ├── icons8-Physics.png │ │ │ ├── icons8-Pinch.png │ │ │ ├── icons8-Plus.png │ │ │ ├── icons8-Redo.png │ │ │ ├── icons8-Replace Atom.png │ │ │ ├── icons8-Reset.png │ │ │ ├── icons8-Right.png │ │ │ ├── icons8-Save as.png │ │ │ ├── icons8-Save.png │ │ │ ├── icons8-Scatter Plot.png │ │ │ ├── icons8-Shutdown.png │ │ │ ├── icons8-Single.png │ │ │ ├── icons8-Trash.png │ │ │ ├── icons8-Triple.png │ │ │ ├── icons8-Undo.png │ │ │ ├── icons8-copy-96.png │ │ │ ├── icons8-paste-100.png │ │ │ ├── molblock.png │ │ │ ├── next.png │ │ │ ├── open.png │ │ │ ├── plot.png │ │ │ ├── prev.png │ │ │ ├── ptable.png │ │ │ └── ptable.svg │ │ └── index.theme │ └── light │ │ ├── application │ │ ├── Change_E_Z.png │ │ ├── Change_E_Z.svg │ │ ├── Change_R_S.png │ │ ├── CleanupChem.png │ │ ├── CleanupChem.svg │ │ ├── RecalcCoord.png │ │ ├── RecalcCoord.svg │ │ ├── about.png │ │ ├── appicon copy.png │ │ ├── appicon.png │ │ ├── appicon.svg.png │ │ ├── atommapnumber.png │ │ ├── atommapnumber.svg │ │ ├── benzene.png │ │ ├── benzene.svg │ │ ├── calc.png │ │ ├── cyclohexane.png │ │ ├── cyclohexane.svg │ │ ├── exit.png │ │ ├── grid.png │ │ ├── icons8-Broom.png │ │ ├── icons8-Bulleted List.png │ │ ├── icons8-Cancel.png │ │ ├── icons8-Carbon.png │ │ ├── icons8-Cursor.png │ │ ├── icons8-Decrease Font.png │ │ ├── icons8-Delete.png │ │ ├── icons8-Double.png │ │ ├── icons8-Edit.png │ │ ├── icons8-Exit.png │ │ ├── icons8-Hydrogen.png │ │ ├── icons8-Increase Font.png │ │ ├── icons8-Info.png │ │ ├── icons8-Left.png │ │ ├── icons8-Line.png │ │ ├── icons8-Minus.png │ │ ├── icons8-Molecule.png │ │ ├── icons8-Open.png │ │ ├── icons8-Oxygen.png │ │ ├── icons8-Physics.png │ │ ├── icons8-Pinch.png │ │ ├── icons8-Plus.png │ │ ├── icons8-Redo.png │ │ ├── icons8-Replace Atom.png │ │ ├── icons8-Reset.png │ │ ├── icons8-Right.png │ │ ├── icons8-Save as.png │ │ ├── icons8-Save.png │ │ ├── icons8-Scatter Plot.png │ │ ├── icons8-Shutdown.png │ │ ├── icons8-Single.png │ │ ├── icons8-Trash.png │ │ ├── icons8-Triple.png │ │ ├── icons8-Undo.png │ │ ├── icons8-copy-96.png │ │ ├── icons8-paste-100.png │ │ ├── molblock.png │ │ ├── next.png │ │ ├── open.png │ │ ├── plot.png │ │ ├── prev.png │ │ ├── ptable.png │ │ └── ptable.svg │ │ └── index.theme ├── molEditWidget.py ├── molViewWidget.py ├── ptable.py ├── ptable_widget.py ├── rdEditor.py ├── templatehandler.py └── utilities.py └── ruff.toml /.github/workflows/actions.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/EBjerrum/rdeditor/HEAD/.github/workflows/actions.yml -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 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