Enumerate input molecule with stereoisomers

openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

http://openforcefield.org

MIT License

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Enumerate input molecule with stereoisomers #1781

Open mattwthompson opened 7 months ago

mattwthompson commented 7 months ago

Suggestion #3 in https://github.com/openforcefield/openff-toolkit/issues/1464#issuecomment-1328660311

[ ] Deal with cases involving input molecule having undefined stereochemistry
[x] Tag issue being addressed
[x] Add tests
[x] Update docstrings/documentation, if applicable
[x] Lint codebase
[x] Update changelog