wehs7661 / ensemble_md

A python package for performing GROMACS simulation ensembles
MIT License
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Adding more unit tests for the package #42

Closed wehs7661 closed 7 months ago

wehs7661 commented 7 months ago

This PR aims to address parts of the todos listed in #41, including the following action items in the section of "Improving the code coverage":

codecov[bot] commented 7 months ago

Codecov Report

Attention: Patch coverage is 96.34146% with 3 lines in your changes are missing coverage. Please review.

Project coverage is 96.10%. Comparing base (f5daa68) to head (27320da).

Files Patch % Lines
ensemble_md/analysis/clustering.py 95.16% 3 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #42 +/- ## ========================================== + Coverage 95.56% 96.10% +0.53% ========================================== Files 8 10 +2 Lines 1646 1950 +304 ========================================== + Hits 1573 1874 +301 - Misses 73 76 +3 ```

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