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ENH: Add the anchor.multi_anchor_filter option #232

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merged 1 commit into from
Jan 21, 2022
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@BvB93 BvB93 commented Jan 21, 2022

Specify what is is to be done with ligands containing multiple functional groups.

Specify what is is to be done with ligands containing multiple functional groups.
@BvB93 BvB93 added the enhancement New feature or request label Jan 21, 2022
@BvB93 BvB93 added this to the CAT 0.10.5 milestone Jan 21, 2022
@BvB93 BvB93 self-assigned this Jan 21, 2022
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codecov bot commented Jan 21, 2022

Codecov Report

Merging #232 (c2d79df) into master (aee208e) will increase coverage by 0.03%.
The diff coverage is 74.07%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #232      +/-   ##
==========================================
+ Coverage   67.96%   67.99%   +0.03%     
==========================================
  Files          50       50              
  Lines        4055     4078      +23     
  Branches      755      763       +8     
==========================================
+ Hits         2756     2773      +17     
- Misses       1141     1146       +5     
- Partials      158      159       +1     
Impacted Files Coverage Δ
CAT/attachment/ligand_anchoring.py 84.74% <30.00%> (-4.35%) ⬇️
CAT/data_handling/anchor_parsing.py 100.00% <100.00%> (ø)
CAT/utils.py 71.42% <100.00%> (+0.61%) ⬆️

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