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- Fix docstring in MaterialFingerprintAllAxes to use correct class name - Fix broken test_rotate that was using .sort() which returns None - Replace faulty test with proper validation of rotate function - Add test for arbitrary angle rotations Co-authored-by: timurbazhirov <721112+timurbazhirov@users.noreply.github.com>
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Successfully Addressed Code Review Comments for PR #257
✅ All Items Completed:
MaterialFingerprintAllAxes.get_similarity_matrixdocstring to use "MaterialFingerprintAllAxes" instead of "MaterialFingerprint"test_rotatethat was using.sort()incorrectly (returns None, making test always pass)test_rotate_arbitrary_angleto verify non-symmetric rotationsSummary of Changes:
1. Fixed Docstring (material_fingerprint_all_axes.py)
2. Fixed Broken Test Assertions (test_tools_modify.py)
test_rotateused.sort()which returnsNone, so it was comparingNone == None(always True).sort()returningNone"test_rotate()that properly validates rotation functionality (lattice unchanged, atom count preserved, valid Material returned)test_rotate_arbitrary_angle()for non-symmetric rotations.sort()bug.Test Results:
Context - Items Already Completed in PR #257:
MaterialFingerprintAllAxesclassMaterialLatticeSwapAnalyzerfor detecting lattice swapsrotate_cellparameter fromrotate()functionSecurity Summary
No vulnerabilities discovered. CodeQL analysis returned 0 alerts for Python code.
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