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cheminfo / pubchem

MIT License
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feat: get identifiers #40

Closed kjappelbaum closed 3 years ago

kjappelbaum commented 3 years ago

closes #39, allows to get identifiers for Pubchem compound

also adds the metadata we need for package.json

codecov[bot] commented 3 years ago

Codecov Report

Merging #40 (eb1f8ba) into master (de4869f) will increase coverage by 1.39%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #40      +/-   ##
==========================================
+ Coverage   79.45%   80.85%   +1.39%     
==========================================
  Files          31       35       +4     
  Lines         219      235      +16     
  Branches       24       24              
==========================================
+ Hits          174      190      +16     
  Misses         42       42              
  Partials        3        3
Impacted Files Coverage Δ
src/compoundData/CompoundData.js 63.15% <100.00%> (+9.82%) :arrow_up:
src/compoundData/identifiers/getFormula.js 100.00% <100.00%> (ø)
src/compoundData/identifiers/getInChI.js 100.00% <100.00%> (ø)
src/compoundData/identifiers/getInChIKey.js 100.00% <100.00%> (ø)
src/compoundData/identifiers/getSMILES.js 100.00% <100.00%> (ø)

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kjappelbaum commented 3 years ago

@lpatiny this might also be useful information to show on the first page in the GHS view, to verify that we got the correct compound. If this PR is fine and merged, i can incorporate it in the React component.