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
311 stars 90 forks source link

Preserve hierarchy data in `_SimpleMolecule.from_molecule` #1811

Closed mattwthompson closed 8 months ago

mattwthompson commented 8 months ago

Resolves https://github.com/openforcefield/openff-toolkit/issues/1810

codecov[bot] commented 8 months ago

Codecov Report

Merging #1811 (9df264f) into main (b479325) will increase coverage by 0.08%. The diff coverage is 100.00%.

Additional details and impacted files