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Chemellia / ChemistryFeaturization.jl

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

Support option for overwrites in build_graphs_batch() #47

Closed thazhemadam closed 3 years ago

thazhemadam commented 3 years ago

Hopefully this should resolve #45.

Changes were tested by building graphs with overwrite = false and observing the timestamps of graphs generated in output_folder.

codecov-io commented 3 years ago

Codecov Report

Merging #47 (6e5b910) into master (cd90538) will increase coverage by 1.72%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #47      +/-   ##
==========================================
+ Coverage   86.59%   88.32%   +1.72%     
==========================================
  Files           6        6              
  Lines         373      411      +38     
==========================================
+ Hits          323      363      +40     
+ Misses         50       48       -2
Impacted Files Coverage Δ
src/pmg_graphs.jl 98.91% <100.00%> (+2.66%) :arrow_up:
src/featurize.jl 100.00% <0.00%> (ø)
src/weave_fcns.jl 91.17% <0.00%> (+0.55%) :arrow_up:
src/atomfeat.jl 92.80% <0.00%> (+0.62%) :arrow_up:
src/atomgraph.jl 65.59% <0.00%> (+4.61%) :arrow_up:

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