Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

[fmt] Format analysis module and tests #4848

Merged
merged 6 commits into from
Dec 29, 2024
Merged

Conversation

RMeli
Copy link
Member

@RMeli RMeli commented Dec 20, 2024

Format most of the MDAnalysis/analysis module and corresponding test. Some files actives in current PRs are ignored and will be formatted once the corresponding PRs are merged (see #4815).


📚 Documentation preview 📚: https://mdanalysis--4848.org.readthedocs.build/en/4848/

Copy link

codecov bot commented Dec 20, 2024

Codecov Report

Attention: Patch coverage is 93.60947% with 54 lines in your changes missing coverage. Please review.

Project coverage is 93.63%. Comparing base (c08cb79) to head (56ea875).
Report is 2 commits behind head on develop.

Files with missing lines Patch % Lines
...ckage/MDAnalysis/analysis/encore/confdistmatrix.py 60.00% 9 Missing and 1 partial ⚠️
...nalysis/analysis/hydrogenbonds/wbridge_analysis.py 92.68% 2 Missing and 7 partials ⚠️
package/MDAnalysis/analysis/encore/similarity.py 88.88% 1 Missing and 7 partials ⚠️
package/MDAnalysis/analysis/encore/utils.py 62.50% 4 Missing and 2 partials ⚠️
package/MDAnalysis/analysis/nuclinfo.py 88.46% 2 Missing and 4 partials ⚠️
...nalysis/analysis/hydrogenbonds/hbond_autocorrel.py 90.00% 2 Missing and 2 partials ⚠️
package/MDAnalysis/analysis/bat.py 93.33% 2 Missing and 1 partial ⚠️
...e/MDAnalysis/analysis/encore/clustering/cluster.py 84.61% 1 Missing and 1 partial ⚠️
.../dimensionality_reduction/reduce_dimensionality.py 84.61% 1 Missing and 1 partial ⚠️
package/MDAnalysis/analysis/rms.py 96.15% 2 Missing ⚠️
... and 2 more
Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4848      +/-   ##
===========================================
- Coverage    93.65%   93.63%   -0.03%     
===========================================
  Files          177      189      +12     
  Lines        21779    22845    +1066     
  Branches      3064     3064              
===========================================
+ Hits         20398    21391     +993     
- Misses         929     1002      +73     
  Partials       452      452              

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

package/MDAnalysis/analysis/legacy/x3dna.py Outdated Show resolved Hide resolved
package/MDAnalysis/analysis/legacy/x3dna.py Outdated Show resolved Hide resolved
testsuite/MDAnalysisTests/analysis/test_encore.py Outdated Show resolved Hide resolved
testsuite/MDAnalysisTests/analysis/test_encore.py Outdated Show resolved Hide resolved
@RMeli RMeli requested review from IAlibay and marinegor December 20, 2024 22:16
Copy link
Member

@orbeckst orbeckst left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

blanket LGTM

🎄 🎁

@RMeli
Copy link
Member Author

RMeli commented Dec 27, 2024

I turned off formatting for some ugly x3dna parts. I don't think it matters much, since the code will be removed for 3.0.0.

@RMeli RMeli removed the request for review from IAlibay December 27, 2024 17:24
@RMeli
Copy link
Member Author

RMeli commented Dec 27, 2024

@marinegor this should be good for a final review, I think.

@RMeli
Copy link
Member Author

RMeli commented Dec 29, 2024

Merging to avoid other PRs getting in the way. @marinegor please review regardless. If you spot something off, we can fix it retrospectively.

@RMeli RMeli merged commit b710e57 into MDAnalysis:develop Dec 29, 2024
22 of 24 checks passed
@RMeli RMeli deleted the fmt-analysis branch December 29, 2024 22:00
Copy link
Contributor

@marinegor marinegor left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

retrospective LGTM

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.

3 participants