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Add oxidation states option to SMACT validity function #282

Merged
merged 7 commits into from
Jul 8, 2024

Fix docstring

cbf7515
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Merged

Add oxidation states option to SMACT validity function #282

Fix docstring
cbf7515
Select commit
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Codecov / codecov/project succeeded Jul 8, 2024 in 0s

74.65% (+0.14%) compared to a8047e6

View this Pull Request on Codecov

74.65% (+0.14%) compared to a8047e6

Details

Codecov Report

Attention: Patch coverage is 94.11765% with 1 line in your changes missing coverage. Please review.

Project coverage is 74.65%. Comparing base (a8047e6) to head (cbf7515).
Report is 1 commits behind head on develop.

Files Patch % Lines
smact/screening.py 91.66% 1 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #282      +/-   ##
===========================================
+ Coverage    74.50%   74.65%   +0.14%     
===========================================
  Files           24       24              
  Lines         2083     2099      +16     
===========================================
+ Hits          1552     1567      +15     
- Misses         531      532       +1     

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