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ENH: Add the remove_anchor_hydrogens option to the cone-angle workflow #118

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merged 1 commit into from
Feb 14, 2022

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@BvB93 BvB93 commented Feb 14, 2022

Adds the option to remove all hydrogens atoms from the anchor atom prior to computing the ligand cone angle.

@BvB93 BvB93 added the enhancement New feature or request label Feb 14, 2022
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codecov bot commented Feb 14, 2022

Codecov Report

Merging #118 (e00af1e) into master (d0fe4d6) will decrease coverage by 0.11%.
The diff coverage is 27.27%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #118      +/-   ##
==========================================
- Coverage   53.64%   53.53%   -0.12%     
==========================================
  Files          36       36              
  Lines        2878     2888      +10     
==========================================
+ Hits         1544     1546       +2     
- Misses       1334     1342       +8     
Impacted Files Coverage Δ
nanoCAT/cone_angle.py 82.60% <27.27%> (-10.62%) ⬇️

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