Implementation of WaterSelection for water resiude selection
#4854
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Addition of WaterSelection
added tests
changelog addition mentioned
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #4854 +/- ##
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- Coverage 93.65% 93.63% -0.03%
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Files 177 189 +12
Lines 21779 22854 +1075
Branches 3064 3064
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+ Hits 20398 21400 +1002
- Misses 929 1002 +73
Partials 452 452 ☔ View full report in Codecov by Sentry. |
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Fixes #4839 through the addition of the
watertoken.Changes made in this Pull Request:
WaterSelectionclass with thewatertoken to select water residuesTestSelectionsWaterwith tests to coverwatertoken intest_atomselections.pyPR Checklist
Developers certificate of origin
📚 Documentation preview 📚: https://mdanalysis--4854.org.readthedocs.build/en/4854/