Source code for molsysmt.third_party.openmm.forces.add_forbidden_z_region
from molsysmt._private.argdigest import arg_digest
from molsysmt import pyunitwizard as puw
[docs]
@arg_digest()
def add_forbidden_z_region(molecular_system, selection='all', z0='0.0 nm', width='1.0 nm',
force_constant='5000 kilojoules_per_mole/nm**2', pbc=False, return_force=False,
syntax='MolSysMT', skip_digestion=False):
from .add_forbidden_plane_region import add_forbidden_plane_region
z0, unit = puw.get_value_and_unit(z0)
point = [[0.0, 0.0, z0]]
point = puw.quantity(point, unit)
return add_forbidden_plane_region(molecular_system, selection=selection,
force_constant=force_constant, point=point, normal_vector=[0,0,1],
width=width, pbc=pbc, return_force=return_force, syntax=syntax,
skip_digestion=True)