search

Chemellia / ChemistryFeaturization.jl

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

batch processes improvements #42

Closed rkurchin closed 3 years ago

rkurchin commented 3 years ago

Fixes #33

(eventually)

Also some other minor fixes.

codecov-io commented 3 years ago

Codecov Report

Merging #42 (2cf20fe) into master (511c0e8) will increase coverage by 2.46%. The diff coverage is 92.85%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #42      +/-   ##
==========================================
+ Coverage   81.35%   83.81%   +2.46%     
==========================================
  Files           6        6              
  Lines         370      377       +7     
==========================================
+ Hits          301      316      +15     
+ Misses         69       61       -8
Impacted Files Coverage Δ
src/ChemistryFeaturization.jl 100.00% <ø> (ø)
src/atomfeat.jl 92.17% <ø> (ø)
src/weave_fcns.jl 90.62% <ø> (ø)
src/atomgraph.jl 53.48% <90.00%> (+3.48%) :arrow_up:
src/pmg_graphs.jl 92.50% <94.11%> (+8.75%) :arrow_up:
src/featurize.jl 100.00% <100.00%> (+6.25%) :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 511c0e8...2cf20fe. Read the comment docs.

rkurchin commented 3 years ago

Several other little fixes added in too :D