Update _donor, _hydrogens, and _acceptors AtomGroups in HBondAnalysis whenever the selection strings are changed. #5018
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #5018 +/- ##
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Coverage 93.61% 93.62%
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Files 177 177
Lines 21907 21932 +25
Branches 3100 3102 +2
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+ Hits 20508 20533 +25
Misses 946 946
Partials 453 453 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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@yuxuanzhuang please feel free to squash-merge yourself (just condense the log message). |
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Fixes #5010
Changes made in this Pull Request:
donors_sel,hydrogens_sel, andacceptors_selproperties and update_donor,_hydrogensand_acceptorswhen the selection strings are changed.PR Checklist
package/CHANGELOGfile updated?package/AUTHORS? (If it is not, add it!)Developers Certificate of Origin
I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.
📚 Documentation preview 📚: https://mdanalysis--5018.org.readthedocs.build/en/5018/