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
256 stars 58 forks source link

More static typing #177

Closed speleo3 closed 8 months ago

speleo3 commented 8 months ago
codecov[bot] commented 8 months ago

Codecov Report

Attention: 56 lines in your changes are missing coverage. Please review.

Comparison is base (9d4b59c) 74.05% compared to head (abd3d05) 74.82%.

Files Patch % Lines
propka/hydrogens.py 0.00% 15 Missing :warning:
propka/output.py 57.14% 15 Missing :warning:
propka/ligand_pka_values.py 58.33% 5 Missing :warning:
propka/group.py 75.00% 3 Missing :warning:
propka/lib.py 93.18% 3 Missing :warning:
propka/vector_algebra.py 91.66% 3 Missing :warning:
propka/atom.py 94.73% 2 Missing :warning:
propka/bonds.py 0.00% 2 Missing :warning:
propka/parameters.py 97.89% 2 Missing :warning:
propka/conformation_container.py 93.33% 1 Missing :warning:
... and 5 more
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #177 +/- ## ========================================== + Coverage 74.05% 74.82% +0.77% ========================================== Files 25 25 Lines 3943 4116 +173 ========================================== + Hits 2920 3080 +160 - Misses 1023 1036 +13 ```

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