Source code for molsysmt.form.openmm_Topology.to_openmm_Simulation

from molsysmt._private.digestion import digest


[docs]
@digest(form='openmm.Topology')
def to_openmm_Simulation(item, atom_indices='all', coordinates=None, skip_digestion=False):

    from . import to_openmm_System
    from ..openmm_System import to_openmm_Simulation as openmm_System_to_openmm_Simulation

    tmp_item = to_openmm_System(item, atom_indices=atom_indices, coordinates=coordinates, skip_digestion=True)
    tmp_item = openmm_System_to_openmm_Simulation(tmp_item, skip_digestion=True)

    return tmp_item