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Implementation of WaterSelection for water resiude selection #4854

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@talagayev talagayev commented Dec 21, 2024

Fixes #4839 through the addition of the water token.

Changes made in this Pull Request:

  • Addition of WaterSelection class with the water token to select water residues
  • Addition of TestSelectionsWater with tests to cover water token in test_atomselections.py

PR Checklist

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

Developers certificate of origin


📚 Documentation preview 📚: https://mdanalysis--4854.org.readthedocs.build/en/4854/

Addition of WaterSelection
changelog addition mentioned
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codecov bot commented Dec 21, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 93.63%. Comparing base (9110a6e) to head (92aa02f).
Report is 6 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4854      +/-   ##
===========================================
- Coverage    93.65%   93.63%   -0.03%     
===========================================
  Files          177      189      +12     
  Lines        21779    22854    +1075     
  Branches      3064     3064              
===========================================
+ Hits         20398    21400    +1002     
- Misses         929     1002      +73     
  Partials       452      452              

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@talagayev talagayev marked this pull request as ready for review December 21, 2024 17:30
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Implementation of Water Selection token
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