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FAIRmat-NFDI / nomad-simulations / 28242595368
86%
develop: 86%

Build:
Build:
LAST BUILD BRANCH: fix-kmesh-high-symmetry-ase-lattice-mismatch
DEFAULT BRANCH: develop
Ran 26 Jun 2026 01:56PM UTC
Jobs 3
Files 133
Run time 1min
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26 Jun 2026 01:53PM UTC coverage: 85.797% (-0.1%) from 85.915%
28242595368

Pull #403

github

ndaelman-hu
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 #403: fix KMesh high-symmetry point fallback for ASE lattice mismatches

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

Uncovered Changes

Lines Coverage ∆ File
31
81.77
-5.2% src/nomad_simulations/schema_packages/numerical_settings.py

Coverage Regressions

Lines Coverage ∆ File
2
81.77
-5.2% src/nomad_simulations/schema_packages/numerical_settings.py
Jobs
ID Job ID Ran Files Coverage
1 28242595368.1 26 Jun 2026 01:56PM UTC 133
85.8
GitHub Action Run
2 28242595368.2 26 Jun 2026 01:56PM UTC 133
85.8
GitHub Action Run
3 28242595368.3 26 Jun 2026 01:56PM UTC 133
85.8
GitHub Action Run
Source Files on build 28242595368
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  • List 133
  • Changed 2
  • Source Changed 0
  • Coverage Changed 2
Coverage ∆ File Lines Relevant Covered Missed Hits/Line
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