Ejemplo n.º 1
0
import taurenmd.cli_rmsf as cli_rmsf
import taurenmd.cli_rotations as cli_rot
import taurenmd.cli_trajedit as cli_trajedit
from taurenmd import _INTERFACE_DESCRIPTION, log
from taurenmd.libs import libcli
from taurenmd.logger import CMDFILE

__author__ = 'Joao M.C. Teixeira'
__email__ = '*****@*****.**'
__maintainer__ = 'Joao M.C. Teixeira'
# add yourself to the credits
__credits__ = ['Joao M.C. Teixeira']
__status__ = 'Production'

ap = libcli.CustomParser(
    description=_INTERFACE_DESCRIPTION + __doc__,
    formatter_class=argparse.RawDescriptionHelpFormatter,
)

libcli.add_version_arg(ap)

subparsers = ap.add_subparsers(title='taurenmd subroutines', )

# add your client to this block following the example of the
# other clients.
# libcli.add_subparser(subparsers, cli_NAME)
libcli.add_subparser(subparsers, cli_pangle)
libcli.add_subparser(subparsers, cli_dist)
libcli.add_subparser(subparsers, cli_fext)
libcli.add_subparser(subparsers, cli_imagemol)
libcli.add_subparser(subparsers, cli_nosol)
libcli.add_subparser(subparsers, cli_report)
Ejemplo n.º 2
0
__author__ = 'Joao M.C. Teixeira'
__email__ = '*****@*****.**'
__maintainer__ = 'Joao M.C. Teixeira'
__credits__ = ['Joao M.C. Teixeira']
__status__ = 'Production'

__doc__ += (f'{tcore.ref_mda}'
            f'{tcore.ref_mda_selection}'
            f'{tcore.ref_plottemplates_param}')

_help = 'Calculate angular oscillation of a plane along the trajectory.'
_name = 'pangle'

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_plane_selection_arg(ap)
libcli.add_angle_unit_arg(ap)
libcli.add_reference_frame_arg(ap)
libcli.add_slice_arg(ap)
libcli.add_data_export_arg(ap)
libcli.add_plot_arg(ap)


def _ap():
    return ap
Ejemplo n.º 3
0
def test_CustomParser_error():
    """Test CP error."""
    with pytest.raises(SystemExit) as error:
        lc.CustomParser().error('my error')
    assert error.type == SystemExit
    assert error.value.code == 2