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

Adds unwrap keyword to moment of inertia #2288

Merged
merged 15 commits into from
Jul 9, 2019
Merged

Adds unwrap keyword to moment of inertia #2288

merged 15 commits into from
Jul 9, 2019

Conversation

NinadBhat
Copy link
Contributor

@NinadBhat NinadBhat commented Jul 7, 2019

Fixes #2289

Changes made in this Pull Request:

  • Adds unwrap keyword to moment of inertia

PR Checklist

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

@codecov
Copy link

codecov bot commented Jul 7, 2019

Codecov Report

Merging #2288 into develop will decrease coverage by <.01%.
The diff coverage is 100%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop    #2288      +/-   ##
===========================================
- Coverage    89.66%   89.66%   -0.01%     
===========================================
  Files          172      172              
  Lines        21412    21421       +9     
  Branches      2789     2792       +3     
===========================================
+ Hits         19200    19208       +8     
  Misses        1616     1616              
- Partials       596      597       +1
Impacted Files Coverage Δ
package/MDAnalysis/core/__init__.py 79.16% <ø> (ø) ⬆️
package/MDAnalysis/core/topologyattrs.py 97.78% <100%> (+0.02%) ⬆️
package/MDAnalysis/coordinates/GRO.py 93.28% <0%> (-0.59%) ⬇️
core/__init__.py 77.92% <0%> (ø) ⬆️
package/MDAnalysis/coordinates/__init__.py 100% <0%> (ø) ⬆️
coordinates/__init__.py 100% <0%> (ø) ⬆️

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 9023293...4fc1509. Read the comment docs.

Copy link
Member

@richardjgowers richardjgowers left a comment

Choose a reason for hiding this comment

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

Looking good, just remove the Flags change

@@ -440,6 +440,29 @@ def __doc__(self):
* ``True`` - Move all atoms within the primary unit cell before calculation
* ``False`` - Use coordinates as supplied

.. Warning::
Copy link
Member

Choose a reason for hiding this comment

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

We're deprecating Flags (#782), so don't add any more here

@NinadBhat
Copy link
Contributor Author

@richardjgowers Ready to be merged

@richardjgowers richardjgowers merged commit 2f87852 into MDAnalysis:develop Jul 9, 2019
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.

Add "unwrap" keyword to moment of inertia
2 participants