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@mattwthompson
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I find it difficult to read some changesets in this project, owing largely to things like long lines and inconsistent text wrapping. Enter (standard set of tools). The https://pre-commit.ci/ would make this a little smoother but is not necessary.

The changes here are mostly automated, though I had to make some manual fixes and I've also nested a few questions inside the code itself.

Happy to take responsibility for rebasing other PRs.

@mikemhenry
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I will merge this in once I get the other PRs merged in, run the pre-commit on the whole code base, squash in the commits, then add a file so the web-ui knows to skip that commit in the blame

@mikemhenry
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mikemhenry commented Jan 2, 2024

just updated the oe license and re-started CI

@mattwthompson
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Merging upstream changing in now ...

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codecov-commenter commented May 3, 2024

Codecov Report

Attention: Patch coverage is 42.67782% with 137 lines in your changes are missing coverage. Please review.

Project coverage is 52.98%. Comparing base (016c836) to head (85a7b7f).

Files Patch % Lines
...penmmforcefields/generators/template_generators.py 37.50% 125 Missing ⚠️
openmmforcefields/generators/system_generators.py 62.96% 10 Missing ⚠️
openmmforcefields/utils.py 80.00% 2 Missing ⚠️

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Additional details and impacted files
@@            Coverage Diff             @@
##             main     #319      +/-   ##
==========================================
+ Coverage   52.80%   52.98%   +0.18%     
==========================================
  Files           5        5              
  Lines         820      804      -16     
==========================================
- Hits          433      426       -7     
+ Misses        387      378       -9     

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@mikemhenry mikemhenry merged commit 54e6e40 into main May 3, 2024
@mikemhenry mikemhenry deleted the lint branch May 3, 2024 17:48
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4 participants