FAIRmat-NFDI / nomad-simulations / 28242595368

86%

develop: 86%

Build Type

Pull #403

github

Committed by ndaelman-hu

Commit Message

Address new Copilot feedback: exception handling, docstring wording, test improvements

Exception handling:
- Revert to catching (KeyError, ValueError, TypeError) for defensive robustness
- Prevents potential crashes from edge cases in forced lattice instantiation

Documentation:
- Change 'authoritative source' to 'prefers...when available'
- Add explicit mention of fallback to ASE when Pearson symbol missing
- Clarifies actual behavior rather than absolute statements

Test improvements:
- Rename test_resolve_high_symmetry_points_logs_convention_violation to
  test_resolve_high_symmetry_points_ase_automatic_reordering
- Remove unused expected_ase_type parameter from parametrized test
- Test now only validates actual behavior (k-point generation)

Regenerate docs after docstring changes.

Pull Request Pull Request #403: fix KMesh high-symmetry point fallback for ASE lattice mismatches

Coverage Stats

82 of 113 new or added lines in 2 files covered. (72.57%)

2 existing lines in 1 file now uncovered.

9834 of 11462 relevant lines covered (85.8%)

2.57 hits per line