def get_molecule_type_from_molecule(item,
indices='all',
structure_indices='all'):
from molsysmt.api_forms.api_openmm_Topology import get_molecule_type_from_molecule as _get
tmp_item = to_openmm_Topology(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
def get_component_id_from_component(item,
indices='all',
structure_indices='all'):
from molsysmt.api_forms.api_openmm_Topology import get_component_id_from_component as _get
tmp_item = to_openmm_Topology(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
def get_inner_bonded_atoms_from_atom(item,
indices='all',
structure_indices='all'):
from molsysmt.api_forms.api_openmm_Topology import get_inner_bonded_atoms_from_atom as _get
tmp_item = to_openmm_Topology(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
def get_bond_order_from_bond(item, indices='all', structure_indices='all'):
from molsysmt.api_forms.api_openmm_Topology import get_bond_order_from_bond as _get
tmp_item = to_openmm_Topology(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
def get_step_from_system(item, indices='all', structure_indices='all'):
from molsysmt.api_forms.api_openmm_Context import get_step_from_system as _get
tmp_item = to_openmm_Context(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
def get_n_entities_from_system(item, indices='all', structure_indices='all'):
from molsysmt.api_forms.api_openmm_Topology import get_n_entities_from_system as _get
tmp_item = to_openmm_Topology(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
def get_chain_name_from_chain(item, indices='all', structure_indices='all'):
from molsysmt.api_forms.api_openmm_Topology import get_chain_name_from_chain as _get
tmp_item = to_openmm_Topology(item)
return _get(tmp_item, indices=indices, structure_indices=structure_indices)
