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Add symmetry edge-case tests - #44

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galjos merged 1 commit into
mainfrom
add-symmetry-edge-tests
Jun 23, 2026
Merged

Add symmetry edge-case tests#44
galjos merged 1 commit into
mainfrom
add-symmetry-edge-tests

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@galjos

@galjos galjos commented Jun 23, 2026

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Summary

  • add a real water symmetry regression
  • verify both symmetry helpers reject imaginary coordinates
  • verify warning suppression does not hide unexpected ComplexWarnings

Validation

  • python -m pytest tests/thermo/test_system.py -q
  • python -m pytest -q
  • python -m pytest --cov=ThermoScreening --cov-report=term-missing -q (94%)
  • python -m pylint ThermoScreening

@codecov

codecov Bot commented Jun 23, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 93.54%. Comparing base (90789ff) to head (7faf07a).

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #44   +/-   ##
=======================================
  Coverage   93.54%   93.54%           
=======================================
  Files          21       21           
  Lines        1178     1178           
=======================================
  Hits         1102     1102           
  Misses         76       76           
Flag Coverage Δ
unittests 93.54% <ø> (ø)

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@galjos
galjos merged commit 22ab27f into main Jun 23, 2026
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@galjos
galjos deleted the add-symmetry-edge-tests branch June 23, 2026 05:10
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