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Use pytest for test_analysis and fix test #678

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@oerc0122 oerc0122 commented Feb 21, 2025

Description of work

  • Migrate from unittest to pytest
  • Parametrise tests to add capacity for further testing
  • Merge test_molecular_dynamics with test_analysis

Fixes

  • Fix bad test which claims to run radius_of_gyration with root, but actually runs mean_square_fluctuation

To test
Standard tests

@oerc0122 oerc0122 added the CI/CD Something concerning the CI/CD pipeline label Feb 21, 2025
@oerc0122 oerc0122 self-assigned this Feb 21, 2025
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@MBartkowiakSTFC MBartkowiakSTFC left a comment

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Looks good, I don't see any problems.

@oerc0122 oerc0122 force-pushed the pytestise-test-analysis branch from d3c0f46 to 0a9f7ee Compare February 24, 2025 16:53
@oerc0122 oerc0122 force-pushed the pytestise-test-analysis branch from e063d2c to a640083 Compare February 25, 2025 11:58
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