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
302 stars 88 forks source link

Assorted typing improvements #1782

Closed mattwthompson closed 6 months ago

mattwthompson commented 7 months ago

While working on updating the state enumerators, I noticed a lot of molecule.py had some missing annotations, historic shims, or quirks that could be updated. The changes here are as follows:

This started by trying to sneak some changes into those PRs, but I realized quickly that wasn't the place (common code across several different changesets) and it'd be better to just consolidate everything in one go.

codecov[bot] commented 7 months ago

Codecov Report

Merging #1782 (7d395c4) into main (bc415dc) will decrease coverage by 0.01%. The diff coverage is 98.38%.

Additional details and impacted files
mattwthompson commented 6 months ago

Thank you! I think the follow-on changes will be big improvements as well.