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added new function to obtain first coordination shell while accountin… #205

Merged
merged 12 commits into from
Mar 21, 2024

Merge branch 'first_shell' of https://github.com/hjkgrp/molSimplify i…

3de212d
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Merged

added new function to obtain first coordination shell while accountin… #205

Merge branch 'first_shell' of https://github.com/hjkgrp/molSimplify i…
3de212d
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Codecov / codecov/project succeeded Mar 21, 2024 in 1s

34.64% (-0.29%) compared to ecda58b

View this Pull Request on Codecov

34.64% (-0.29%) compared to ecda58b

Details

Codecov Report

Attention: Patch coverage is 20.25316% with 63 lines in your changes are missing coverage. Please review.

Project coverage is 34.64%. Comparing base (ecda58b) to head (3de212d).

❗ Current head 3de212d differs from pull request most recent head 7b98225. Consider uploading reports for the commit 7b98225 to get more accurate results

Files Patch % Lines
molSimplify/Classes/mol3D.py 20.25% 63 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #205      +/-   ##
==========================================
- Coverage   34.93%   34.64%   -0.29%     
==========================================
  Files          90       90              
  Lines       30027    30076      +49     
==========================================
- Hits        10489    10419      -70     
- Misses      19538    19657     +119     

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