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fix: call add_atoms in ObjCrystMoleculeParSet.wrap_stretch_mode_parameters - #12
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…eters It called StretchModeParameter.AddAtoms, which doesn't exist, so any molecule with stretch modes raised AttributeError. Replace the empty test_implicit_stretch_modes placeholder with a test that wraps the modes of a three-atom chain. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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@sbillinge ready for review |
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #12 +/- ##
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+ Coverage 94.57% 95.45% +0.88%
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Files 5 5
Lines 645 638 -7
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- Hits 610 609 -1
+ Misses 35 29 -6
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Looks like claude found a bug and wrote the test for an old unwritten test
It called StretchModeParameter.AddAtoms, which doesn't exist, so any molecule with stretch modes raised AttributeError. Replace the empty test_implicit_stretch_modes placeholder with a test that wraps the modes of a three-atom chain.