__status__ = 'Production'
__doc__ += tcore.ref_mdt
_help = 'Removes solvent from trajectory.'
_name = 'nosol'
ap = libcli.CustomParser(
description=_BANNER + __doc__,
formatter_class=argparse.RawDescriptionHelpFormatter,
)
libcli.add_version_arg(ap)
libcli.add_topology_arg(ap)
libcli.add_trajectories_arg(ap)
libcli.add_insort_arg(ap)
libcli.add_traj_output_arg(ap)
libcli.add_top_output_arg(ap)
ap.add_argument(
'-m',
'--maintain',
help=('List of solvent residue names to maintain in trajectory. '
'Feeds MDTraj.Trajectory.remove_solvent.exclude parameter.'),
default=None,
nargs='+',
)
def _ap():
return ap
def test_insort(cmd, expected):
"""Test angle unit argument."""
parser = argparse.ArgumentParser()
lc.add_insort_arg(parser)
v = vars(parser.parse_args(cmd.split()))
assert v['insort'] == expected