def test_trajectory_error():
"""Test error in trajectory input."""
parser = argparse.ArgumentParser()
lc.add_trajectory_arg(parser)
with pytest.raises(SystemExit):
parser.parse_args('traj1.dcd traj2.dcd'.split())
__credits__ = ['Joao M.C. Teixeira']
__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_trajectory_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_trajectory(cmd, expected):
"""Test trajectory argument."""
parser = argparse.ArgumentParser()
lc.add_trajectory_arg(parser)
v = vars(parser.parse_args(cmd.split()))
assert v['trajectory'] == expected