Closed hannahbaumann closed 8 months ago
Hello @hannahbaumann! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
gufe/tests/test_transformation.py
:Line 34:80: E501 line too long (396 > 79 characters) Line 131:80: E501 line too long (435 > 79 characters)
All modified and coverable lines are covered by tests :white_check_mark:
Comparison is base (
51e6812
) 99.22% compared to head (c3207e0
) 99.22%.
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@hannahbaumann FYI, this key change will probably happen in openfe once this is merged (as the Settings there are now different than before)
As discussed here (https://github.com/OpenFreeEnergy/openfe/issues/665), moving the
remove_com
setting toIntegratorSettings
.