jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
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Refactor and fix MolecularContainer.get_pi() #148

Closed speleo3 closed 2 years ago

speleo3 commented 2 years ago
codecov[bot] commented 2 years ago

Codecov Report

Merging #148 (80c7bf0) into master (ab80128) will not change coverage. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #148   +/-   ##
=======================================
  Coverage   73.09%   73.09%           
=======================================
  Files          25       25           
  Lines        3970     3970           
=======================================
  Hits         2902     2902           
  Misses       1068     1068           
Impacted Files Coverage Δ
propka/molecular_container.py 92.59% <100.00%> (ø)

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