chemosim-lab / ProLIF

Interaction Fingerprints for protein-ligand complexes and more
https://prolif.readthedocs.io
Apache License 2.0
372 stars 71 forks source link

Swap mp backend and update interaction parameters easily #128

Closed cbouy closed 1 year ago

cbouy commented 1 year ago
codecov[bot] commented 1 year ago

Codecov Report

Merging #128 (add8bea) into master (433a400) will increase coverage by 0.44%. The diff coverage is 93.99%.

:exclamation: Current head add8bea differs from pull request most recent head b233f60. Consider uploading reports for the commit b233f60 to get more accurate results

@@            Coverage Diff             @@
##           master     #128      +/-   ##
==========================================
+ Coverage   95.96%   96.40%   +0.44%     
==========================================
  Files          11       14       +3     
  Lines        1066     1114      +48     
==========================================
+ Hits         1023     1074      +51     
+ Misses         43       40       -3     
Impacted Files Coverage Δ
prolif/interactions/utils.py 73.33% <73.33%> (ø)
prolif/parallel.py 78.31% <77.77%> (+25.12%) :arrow_up:
prolif/fingerprint.py 96.50% <97.77%> (+1.47%) :arrow_up:
prolif/interactions/base.py 98.83% <98.83%> (ø)
prolif/__init__.py 100.00% <100.00%> (ø)
prolif/ifp.py 100.00% <100.00%> (ø)
prolif/interactions/__init__.py 100.00% <100.00%> (ø)
prolif/interactions/interactions.py 100.00% <100.00%> (ø)
prolif/molecule.py 99.33% <100.00%> (ø)
prolif/plotting/network.py 96.20% <100.00%> (ø)
... and 2 more