Fix issue 223 and add test

openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal

https://openff-qcsubmit.readthedocs.io/en/latest/index.html

MIT License

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Fix issue 223 and add test #294

Closed j-wags closed 1 month ago

j-wags commented 1 month ago

After spending far too long trying to grok the root cause of #223 to make a minimal reproducing case, I've decided to just boil down the reproducing example reported by @amcisaac into a test.

Todos

[x] Fix #223
[x] Add test

codecov[bot] commented 1 month ago

Codecov Report

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

Project coverage is 95.43%. Comparing base (bc0c4c3) to head (650b92a).

Additional details and impacted files