datamol-io / datamol

Molecular Processing Made Easy.
https://docs.datamol.io
Apache License 2.0
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change default conf generation arguments #90

Closed hadim closed 2 years ago

hadim commented 2 years ago

Checklist:


codecov[bot] commented 2 years ago

Codecov Report

Merging #90 (ed3a1fc) into main (dc70124) will increase coverage by 0.27%. The diff coverage is 98.21%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #90      +/-   ##
==========================================
+ Coverage   82.22%   82.49%   +0.27%     
==========================================
  Files          45       46       +1     
  Lines        3150     3176      +26     
==========================================
+ Hits         2590     2620      +30     
+ Misses        560      556       -4     
Flag Coverage Δ
unittests 82.49% <98.21%> (+0.27%) :arrow_up:

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Impacted Files Coverage Δ
datamol/conformers/_conformers.py 92.71% <96.55%> (+3.20%) :arrow_up:
datamol/__init__.py 100.00% <100.00%> (ø)
datamol/conformers/__init__.py 100.00% <100.00%> (ø)
datamol/conformers/_features.py 91.22% <100.00%> (+3.42%) :arrow_up:
datamol/types.py 100.00% <100.00%> (ø)

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