Skip to content

Conversation

@mattwthompson
Copy link
Collaborator

The docstrings in the generators serve as de facto documentation, and a handful of them were significantly out of date. This was a mild frustration while trying to figure out how to hook into some of the internals.

This PR updates the docstrings to run stand-alone and also adds a call to pytest --doctest-modules to automate this check and trigger soft failures when they fall out of sync.

@codecov-commenter
Copy link

codecov-commenter commented Sep 30, 2022

Codecov Report

Base: 76.92% // Head: 76.92% // No change to project coverage 👍

Coverage data is based on head (47554cb) compared to base (b12c2e8).
Patch has no changes to coverable lines.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #240   +/-   ##
=======================================
  Coverage   76.92%   76.92%           
=======================================
  Files           4        4           
  Lines         845      845           
=======================================
  Hits          650      650           
  Misses        195      195           
Impacted Files Coverage Δ
openmmforcefields/generators/system_generators.py 50.58% <ø> (ø)
...penmmforcefields/generators/template_generators.py 86.04% <ø> (ø)

Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here.

☔ View full report at Codecov.
📢 Do you have feedback about the report comment? Let us know in this issue.

@mattwthompson mattwthompson marked this pull request as ready for review September 30, 2022 20:56
@mikemhenry
Copy link
Collaborator

This is great, thanks @mattwthompson

@mikemhenry mikemhenry enabled auto-merge (squash) October 25, 2022 10:27
@mikemhenry mikemhenry merged commit d78f2b8 into main Oct 25, 2022
@mikemhenry mikemhenry deleted the update-docstrings branch October 25, 2022 11:27
@ijpulidos ijpulidos added this to the 0.11.3 milestone Oct 12, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

5 participants