OpenFreeEnergy / kartograf

This package contains tools for setting up hybrid-topology FE calculations
https://kartograf.readthedocs.io/
MIT License
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ring hybridization filter #36

Closed RiesBen closed 7 months ago

RiesBen commented 9 months ago

This branch adds a ring hybridization change filter. (like discussed here: #30)

pep8speaks commented 9 months ago

Hello @RiesBen! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 121:80: E501 line too long (92 > 79 characters) Line 122:80: E501 line too long (80 > 79 characters) Line 123:80: E501 line too long (84 > 79 characters) Line 144:80: E501 line too long (94 > 79 characters)

Line 104:80: E501 line too long (80 > 79 characters) Line 114:80: E501 line too long (87 > 79 characters) Line 117:80: E501 line too long (80 > 79 characters)

Comment last updated at 2024-03-28 23:48:27 UTC
codecov[bot] commented 9 months ago

Codecov Report

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

Project coverage is 96.35%. Comparing base (f371334) to head (875359c).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #36 +/- ## ========================================== + Coverage 96.21% 96.35% +0.14% ========================================== Files 13 13 Lines 581 604 +23 ========================================== + Hits 559 582 +23 Misses 22 22 ```

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