Changed definition of self._groupselections_ref_coords64#5366
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DhanushkaWeerakoon wants to merge 2 commits intoMDAnalysis:developfrom
Open
Changed definition of self._groupselections_ref_coords64#5366DhanushkaWeerakoon wants to merge 2 commits intoMDAnalysis:developfrom
DhanushkaWeerakoon wants to merge 2 commits intoMDAnalysis:developfrom
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Changed self.reference.select_atoms(…) (line 736) to self.reference.universe.select_atoms(…)
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## develop #5366 +/- ##
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- Coverage 93.85% 93.84% -0.01%
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Files 182 182
Lines 22499 22499
Branches 3200 3200
===========================================
- Hits 21117 21115 -2
- Misses 921 922 +1
- Partials 461 462 +1 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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orbeckst
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Apr 23, 2026
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orbeckst
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orbeckst
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Can you add a test case that demonstrably fails with the original code and passes with your changes?
Please also edit the PR title to something more descriptive in reference to the issue that you're solving. At the moment it's very confusing.
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Changed self.reference.select_atoms(…) (line 736) to self.reference.universe.select_atoms(…)
Fixes #2797
Changes made in this Pull Request:
LLM / AI generated code disclosure
LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: no
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--5366.org.readthedocs.build/en/5366/