Merge branch 'nathan/tests' into nathan/delint

This commit is contained in:
Nathan Baker
2020-05-21 15:58:49 -07:00
24 changed files with 179 additions and 212 deletions

View File

@@ -210,17 +210,21 @@ def build_parser(parser=None):
"ligand bond orders"))
group.add_argument("-k", "--keep-protons", dest="keep_protons", action="store_true",
help="Keep protons in input file", default=False)
group.add_argument("-q", "--quiet", action="store_const", const="WARNING",
dest="log_level", help="supress non-warning messages")
group.add_argument("--protonate-all", dest="protonate_all", action="store_true",
help="Protonate all atoms (will not influence pKa calculation)",
default=False)
return parser
def loadOptions(*args):
def loadOptions(args):
"""
Load the arguments parser with options. Note that verbosity is set as soon
as this function is invoked.
Arguments:
args: list of arguments
Returns:
argparse namespace
"""
@@ -235,7 +239,7 @@ def loadOptions(*args):
# command line
options = parser.parse_args()
else:
options = parser.parse_args(list(args))
options = parser.parse_args(args)
# adding specified filenames to arguments
options.filenames.append(options.input_pdb)