Additional Test Cases for run.py
#96
Merged
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
- 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
approved these changes
May 15, 2025
Member
jimboid
left a comment
jimboid
left a comment
There was a problem hiding this comment.
Looks good. Improves the testing of critical error handling mechanisms. Go ahead and merge.
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
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.