INNER CODE UNIT · Python

transform_arguments

Electrostatics/pdb2pqr · pdb2pqr/main.py:399

def transform_arguments(args):
    """Transform arguments with logic not provided by argparse.

    .. todo::  I wish this could be done with argparse.

    :param args:  command-line arguments
    :type args:  argparse.Namespace
    :return:  modified arguments
    :rtype:  argparse.Namespace
    """
    if args.assign_only or args.clean:
        args.debump = False
        args.opt = False
    if args.userff is not None:
        args.userff = args.userff
    elif args.ff is not None:
        args.ff = args.ff.lower()
    if args.ffout is not None:

View source record →