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- Test to ensure the `run_entropy_workflow` function operates as expected - Test to ensure each `ValueError` is raised correctly - Tests to ensre the new `Universe` from `MDAnalysis` is selected and written as intended
jimboid
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May 15, 2025
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Looks good. Improves the testing of critical error handling mechanisms. Go ahead and merge.
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Summary
This PR aims to increase the test coverage for
CodeEntropywith adding additional test cases for therun.pyfile.Changes
Additional Test Cases:
run_entropy_workflowfunction operates as expectedValueErroris raised correctly with required argumentstop_traj_fileandselection_stringUniversefromMDAnalysisis selected and written as intendedImpact
CodeEntropyworkflow.