search

Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures
https://chemistryfeaturization.chemellia.org/dev/
MIT License
41 stars 14 forks source link

throw error if there are NaN's in graph laplacian #36

Closed rkurchin closed 3 years ago

codecov-io commented 3 years ago

Codecov Report

Merging #36 (42f5cc9) into master (67366f8) will increase coverage by 0.10%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #36      +/-   ##
==========================================
+ Coverage   81.25%   81.35%   +0.10%     
==========================================
  Files           6        6              
  Lines         368      370       +2     
==========================================
+ Hits          299      301       +2     
  Misses         69       69
Impacted Files Coverage Δ
src/smiles_rdkit_features.jl 90.62% <ø> (ø)
src/atomgraph.jl 50.00% <100.00%> (+1.31%) :arrow_up:

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 67366f8...f4af96d. Read the comment docs.

rkurchin commented 3 years ago

CI will fail because of the rdkit thing; I'm just going to merge this so the other fixes are on master and we'll remove the rdkit stuff later today