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Improve partial charge check #326
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #326 +/- ##
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Coverage 98.94% 98.94%
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Files 36 36
Lines 1988 1996 +8
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+ Hits 1967 1975 +8
Misses 21 21 ☔ View full report in Codecov by Sentry. |
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Thanks so much!
Just a couple of quick review comments, looks great!
update doc string style. Co-authored-by: Irfan Alibay <[email protected]>
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Amazing, thanks @jthorton !
This PR fixes #325 by ensuring user charges set at the molecule level are also set at the atom level which is how OpenFF detects them.