datamol-io / datamol

Molecular Processing Made Easy.
https://docs.datamol.io
Apache License 2.0
462 stars 48 forks source link

Rdkit compat #155

Closed hadim closed 1 year ago

hadim commented 1 year ago

Checklist:


Make dm.descriptors.n_heavy_atoms compatible with rdkit 2021.03.

codecov[bot] commented 1 year ago

Codecov Report

Merging #155 (0b9312d) into main (9255d03) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##             main     #155   +/-   ##
=======================================
  Coverage   90.62%   90.63%           
=======================================
  Files          46       46           
  Lines        3297     3300    +3     
=======================================
+ Hits         2988     2991    +3     
  Misses        309      309           
Flag Coverage Δ
unittests 90.63% <100.00%> (+<0.01%) :arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
datamol/descriptors/descriptors.py 92.20% <100.00%> (+0.31%) :arrow_up:

:mega: We’re building smart automated test selection to slash your CI/CD build times. Learn more