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datamol-io / datamol

Molecular Processing Made Easy.
https://docs.datamol.io
Apache License 2.0
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correct "ecfp" default args to generate ECFP rather than FCFP #122

Closed matudor closed 2 years ago

matudor commented 2 years ago

Bug fix: default arguments in fp.py led to calculation of feature fingerprints (FCFP) when invoked with 'ecfp' argument. Corrected to generate ECFP fingerprints.

codecov[bot] commented 2 years ago

Codecov Report

Merging #122 (5eaf705) into main (013d930) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##             main     #122   +/-   ##
=======================================
  Coverage   84.15%   84.15%           
=======================================
  Files          48       48           
  Lines        3559     3559           
=======================================
  Hits         2995     2995           
  Misses        564      564
Flag Coverage Δ
unittests 84.15% <ø> (ø)

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Impacted Files Coverage Δ
datamol/fp.py 84.50% <ø> (ø)

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maclandrol commented 2 years ago

@matudor, I will merge when all green and release together with #120

Thanks again !