protocaller / ProtoCaller

Full automation of relative protein-ligand binding free energy calculations in GROMACS
http://protocaller.readthedocs.io
GNU General Public License v3.0
43 stars 15 forks source link

Getting in to flake8 format #2

Closed tsenapathi closed 4 years ago

tsenapathi commented 5 years ago

Getting in to the Flake8 format

tsenapathi commented 5 years ago

Hi @miroslav351 I have started to go though all the codes and getting things to the Flake8 format. Do not merge this until we finish everything. The stranded is not use more than 79 characters in a line. But we cannot do it here because of the SMILES in the code.

msuruzhon commented 5 years ago

Hi @tsenapathi, I have added docstrings to pretty much every class / function to ProtoCaller now, so make sure you have pulled the commits. As for the SMILES, it should be simple just to split the strings - that shouldn't be a problem.

tsenapathi commented 5 years ago

Cool :+1: