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Add kwarg n_frames to Universe.empty() (#4110) #4140

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xhgchen
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@xhgchen xhgchen commented May 16, 2023

PR Checklist

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

📚 Documentation preview 📚: https://mdanalysis--4140.org.readthedocs.build/en/4140/

* Resolves MDAnalysis#4110
* Add kwarg `n_frames` to class method empty() in
`MDAnalysis.core.universe`
* Add unit test to verify that `n_frames` creates an empty Universe
with the specified number of frames
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github-actions bot commented May 16, 2023

Linter Bot Results:

Hi @xhgchen! Thanks for making this PR. We linted your code and found the following:

Some issues were found with the formatting of your code.

Code Location Outcome
main package ⚠️ Possible failure
testsuite ✅ Passed

Please have a look at the darker-main-code and darker-test-code steps here for more details: https://github.com/MDAnalysis/mdanalysis/actions/runs/4998399631/jobs/8953767483


Please note: The black linter is purely informational, you can safely ignore these outcomes if there are no flake8 failures!

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codecov bot commented May 16, 2023

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (e46c5ef) 93.59% compared to head (11c43b7) 93.59%.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop    #4140   +/-   ##
========================================
  Coverage    93.59%   93.59%           
========================================
  Files          192      192           
  Lines        25143    25143           
  Branches      4058     4058           
========================================
  Hits         23532    23532           
  Misses        1093     1093           
  Partials       518      518           
Impacted Files Coverage Δ
package/MDAnalysis/core/universe.py 97.26% <100.00%> (ø)

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@xhgchen xhgchen marked this pull request as ready for review May 17, 2023 01:42
@richardjgowers richardjgowers merged commit 1ddf36a into MDAnalysis:develop May 26, 2023
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Add kwarg to make a Universe with multiple frames from scratch
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