Add warnings for multiple molecules and tests

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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Add warnings for multiple molecules and tests #1939

Closed j-wags closed 2 months ago

j-wags commented 2 months ago

[x] Fixes #1587
[x] Add tests
[ ] Update docstrings/documentation, if applicable
[x] Lint codebase
[x] Update changelog

codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 93.76%. Comparing base (747c2f1) to head (053a24e). Report is 1 commits behind head on main.

Additional details and impacted files

j-wags commented 2 months ago

Hm, CI currently indicates that this this leads to a consistent, significant slowdown that's tripping a timeout on an unrelated test. I don't want to merge with failing tests and it's possible that another approach wouldn't have this slowdown, so I'll kick CI now and come back to this Monday.

j-wags commented 2 months ago

Reran twice over the weekend and it came out all green, so I'll just merge this and I can relax the timeout later if needed.