OpenFreeEnergy / openfe

The Open Free Energy toolkit
https://docs.openfree.energy
MIT License
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Test with main on Lomap dev branch #855

Closed IAlibay closed 1 month ago

IAlibay commented 1 month ago

Fixes #856

Checklist

Developers certificate of origin

pep8speaks commented 1 month ago

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

Line 188:80: E501 line too long (81 > 79 characters)

Comment last updated at 2024-05-31 18:43:42 UTC
codecov[bot] commented 1 month ago

Codecov Report

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

Project coverage is 92.27%. Comparing base (acada80) to head (ef4fd70).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #855 +/- ## ========================================== - Coverage 93.99% 92.27% -1.72% ========================================== Files 134 134 Lines 9804 9790 -14 ========================================== - Hits 9215 9034 -181 - Misses 589 756 +167 ``` | [Flag](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/855/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | Coverage Δ | | |---|---|---| | [fast-tests](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/855/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | `92.27% <100.00%> (?)` | | | [slow-tests](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/855/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | `?` | | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#carryforward-flags-in-the-pull-request-comment) to find out more.

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IAlibay commented 1 month ago

@mikemhenry this is should be good to review if possible 🙏🏽