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Fix: Similarity.py doctest error #4379

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HeetVekariya
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@HeetVekariya HeetVekariya commented Dec 22, 2023

Partially address #3925

Changes made in this Pull Request:

  • Doctest for similarity.py (package/MDAnalysis/analysis/encore/similarity.py) file contains two error due to wrong output in Expected matrix:
    • 38279540.04524205
  • Corrected expected output according to the generated output as below:
    • 38279540.04524206

PR Checklist

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

Developers certificate of origin


📚 Documentation preview 📚: https://mdanalysis--4379.org.readthedocs.build/en/4379/

@HeetVekariya
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I will update the change log when reviewed by maintainers.

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Linter Bot Results:

Hi @HeetVekariya! 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/7301951136/job/19899640913


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 Dec 22, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (2d1d684) 93.41% compared to head (7f75820) 93.41%.

Additional details and impacted files
@@            Coverage Diff             @@
##           develop    #4379     +/-   ##
==========================================
  Coverage    93.41%   93.41%             
==========================================
  Files          171      185     +14     
  Lines        22511    23625   +1114     
  Branches      4129     4129             
==========================================
+ Hits         21028    22069   +1041     
- Misses         963     1036     +73     
  Partials       520      520             

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@orbeckst orbeckst self-assigned this Feb 10, 2024
@orbeckst
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We are removing ENCORE from MDA ( #4274 ) as it's now its own package https://github.com/MDAnalysis/mdaencore/.

Thanks for your effort here @HeetVekariya , I am closing this PR but you can contribute your changes at https://github.com/MDAnalysis/mdaencore/issues

@HeetVekariya
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No problem, Will make a PR there 👍

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