Frankenatom fix #4692
Frankenatom fix #4692
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Hello @MattTDavies! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
Comment last updated at 2024-09-05 09:05:59 UTC |
Linter Bot Results:Hi @MattTDavies! Thanks for making this PR. We linted your code and found the following: Some issues were found with the formatting of your code.
Please have a look at the Please note: The |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #4692 +/- ##
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- Coverage 93.62% 93.60% -0.03%
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Files 173 185 +12
Lines 21419 22488 +1069
Branches 3978 3979 +1
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+ Hits 20053 21049 +996
- Misses 903 976 +73
Partials 463 463 ☔ View full report in Codecov by Sentry. |
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lgtm @MattTDavies can you add yourself to the CHANGELOG file authors for 2.8.0?
…o more robustly catch Frankenatoms
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LGTM @MattTDavies, could you just check the Developer Certificate of Origin box and then we can merge.
…MDAnalysis#4692) * Moved index dimension check to initialisation, rather than indexing to more robustly catch Frankenatoms * Added improper atomgroup initialisation test * pep8 fixes * Added CHANGELOG info
Made the "Frankenatom" protection more robust.
Since indexing initialises a new GroupBase, moving the dimension check to initialisation is more robust as it will also capture incorrectly created atomgroups using the
AtomGroup(indices, universe)initialisation as well as just when indexing a preexisting atomgroup as was covered previously.Fixes #4647
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📚 Documentation preview 📚: https://mdanalysis--4692.org.readthedocs.build/en/4692/