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Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Fixed long lines and typo in logging #207

Closed intendo closed 3 years ago

intendo commented 3 years ago

I made a typo in the logging format. I fixed a few other "line too long" warnings from flake. Pylint has WAY too many warnings to try and fix in this request. I will write another issue.

codecov-commenter commented 3 years ago

Codecov Report

Merging #207 (239ae85) into master (1838cc4) will decrease coverage by 0.07%. The diff coverage is 60.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #207      +/-   ##
==========================================
- Coverage   63.33%   63.25%   -0.08%     
==========================================
  Files          30       30              
  Lines        8042     8043       +1     
==========================================
- Hits         5093     5088       -5     
- Misses       2949     2955       +6
Impacted Files Coverage Δ
pdb2pqr/__init__.py 76.92% <0.00%> (ø)
pdb2pqr/__main__.py 0.00% <0.00%> (ø)
pdb2pqr/biomolecule.py 71.44% <0.00%> (-0.31%) :arrow_down:
pdb2pqr/psize.py 52.54% <ø> (ø)
pdb2pqr/aa.py 79.48% <50.00%> (-0.14%) :arrow_down:
pdb2pqr/utilities.py 77.90% <50.00%> (-2.33%) :arrow_down:
pdb2pqr/io.py 77.04% <75.00%> (+0.09%) :arrow_up:
pdb2pqr/main.py 79.48% <87.50%> (+0.23%) :arrow_up:
pdb2pqr/structures.py 88.88% <100.00%> (-0.49%) :arrow_down:

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