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open-reaction-database / ord-schema

Schema for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
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Update list_dois.py #608

Closed skearnes closed 1 year ago

skearnes commented 3 years ago

Resolves #606; see https://github.com/open-reaction-database/ord-data/pull/111 for example output.

NOTE: I ended up in a crazy dependency knot and had to move to rdkit-pypi to get the numpy version to stay above 1.20.0.

codecov[bot] commented 3 years ago

Codecov Report

Merging #608 (e5de5dc) into main (6494172) will decrease coverage by 0.25%. The diff coverage is 71.42%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #608      +/-   ##
==========================================
- Coverage   76.19%   75.94%   -0.26%     
==========================================
  Files          18       18              
  Lines        1941     1958      +17     
  Branches      480      485       +5     
==========================================
+ Hits         1479     1487       +8     
- Misses        314      318       +4     
- Partials      148      153       +5
Impacted Files Coverage Δ
ord_schema/scripts/list_dois.py 73.13% <69.69%> (-8.87%) :arrow_down:
ord_schema/message_helpers.py 84.17% <100.00%> (ø)
ord_schema/units.py 90.16% <100.00%> (ø)
skearnes commented 3 years ago

@connorcoley PTAL