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

Fixes deprecation warning and updated CHANGELOG #4831

Merged
merged 3 commits into from
Dec 13, 2024

Conversation

tanishy7777
Copy link
Contributor

@tanishy7777 tanishy7777 commented Dec 12, 2024

Fixes #4339

Changes made in this Pull Request:

  • Changed the function atan2() to np.atan2() to avoid converting array to scalar

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

Developers certificate of origin


📚 Documentation preview 📚: https://mdanalysis--4831.org.readthedocs.build/en/4831/

Copy link

codecov bot commented Dec 12, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 93.66%. Comparing base (a27591c) to head (d5b25f6).
Report is 1 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4831      +/-   ##
===========================================
- Coverage    93.68%   93.66%   -0.03%     
===========================================
  Files          177      189      +12     
  Lines        21743    22809    +1066     
  Branches      3055     3055              
===========================================
+ Hits         20370    21363     +993     
- Misses         927     1000      +73     
  Partials       446      446              

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

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.

Thank you for the fix. In addition to the comments inline, could you please also demonstrate that your changes fix the issue? Can you please show that before your changes, the warning is issued and that afterwards it is gone, e.g., by running pytest MDAnalysisTests/analysis/test_nuclinfo.py and showing all the output?

package/CHANGELOG Outdated Show resolved Hide resolved
package/CHANGELOG Show resolved Hide resolved
package/MDAnalysis/analysis/nuclinfo.py Show resolved Hide resolved
@orbeckst orbeckst self-assigned this Dec 12, 2024
@tanishy7777
Copy link
Contributor Author

Thank you for the fix. In addition to the comments inline, could you please also demonstrate that your changes fix the issue? Can you please show that before your changes, the warning is issued and that afterwards it is gone, e.g., by running pytest MDAnalysisTests/analysis/test_nuclinfo.py and showing all the output?

Before
image

After
image

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.

Looks good, thanks for the fix!

@orbeckst orbeckst merged commit f4e0f0b into MDAnalysis:develop Dec 13, 2024
22 of 24 checks passed
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.

Array to scalar deprecation warning
2 participants