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AstraZeneca / kallisto

Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.
https://ehjc.gitbook.io/kallisto/
Apache License 2.0
61 stars 21 forks source link

fix:structure reader needs lower case input #45

Closed f3rmion closed 1 year ago

f3rmion commented 1 year ago

This will fix a bug in the structure reader that always produces a lower case path for reading the file. In case of some uppercase letters in the path, the file is not found.

codecov[bot] commented 1 year ago

Codecov Report

Merging #45 (584dcb3) into master (be33f0e) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master      #45   +/-   ##
=======================================
  Coverage   99.34%   99.34%           
=======================================
  Files          18       18           
  Lines       10308    10309    +1     
  Branches      162      162           
=======================================
+ Hits        10240    10241    +1     
  Misses         37       37           
  Partials       31       31
Impacted Files Coverage Δ
src/kallisto/__init__.py 100.00% <100.00%> (ø)
src/kallisto/reader/strucreader.py 82.35% <100.00%> (+0.53%) :arrow_up:

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