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Acellera / moleculekit

MoleculeKit: Your favorite molecule manipulation kit
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Atomselect reimplementation #109

Closed stefdoerr closed 2 years ago

stefdoerr commented 2 years ago

Re-implement atomselect from scratch

codecov[bot] commented 2 years ago

Codecov Report

Merging #109 (71b06a7) into main (a2ec578) will increase coverage by 0.31%. The diff coverage is 84.15%.

@@            Coverage Diff             @@
##             main     #109      +/-   ##
==========================================
+ Coverage   76.43%   76.75%   +0.31%     
==========================================
  Files          56       58       +2     
  Lines       10661    11020     +359     
==========================================
+ Hits         8149     8458     +309     
- Misses       2512     2562      +50
Impacted Files Coverage Δ
moleculekit/support.py 76.47% <ø> (-3.02%) :arrow_down:
moleculekit/atomselect/analyze.py 61.79% <61.79%> (ø)
moleculekit/bondguesser.py 95.45% <66.66%> (-2.14%) :arrow_down:
moleculekit/molecule.py 75.78% <85.71%> (-0.02%) :arrow_down:
moleculekit/atomselect/atomselect.py 86.97% <86.97%> (ø)
moleculekit/atomselect/languageparser.py 93.71% <93.71%> (ø)
moleculekit/readers.py 90.24% <0.00%> (-0.07%) :arrow_down:

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