#######################################################################################
########### THE FOLLOWING LINES NEED TO BE CUSTOMIZED FOR EVERY CLASS ################
#######################################################################################
from molsysmt._private.exceptions import NotImplementedMethodError, NotWithThisFormError
from molsysmt._private.digestion import digest
from molsysmt._private.variables import is_all
import numpy as np
import types
form='openmm.Modeller'
## From atom
[docs]
@digest(form=form)
def get_atom_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_id_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_id_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_name_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_name_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_id_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_id_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_name_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_name_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_id_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_id_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_name_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_name_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_id_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_id_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_name_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_name_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_id_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_id_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_name_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_name_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_id_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_id_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_name_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_name_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_atoms_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_inner_bonds_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_inner_bonds_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_atom(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_atom as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From group
[docs]
@digest(form=form)
def get_atom_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_id_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_id_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_name_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_name_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_id_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_id_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_name_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_name_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_id_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_id_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_name_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_name_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_id_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_id_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_name_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_name_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_id_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_id_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_name_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_name_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_id_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_id_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_name_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_name_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_atoms_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_inner_bonds_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_inner_bonds_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_group(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_group as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From component
[docs]
@digest(form=form)
def get_atom_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_id_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_id_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_name_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_name_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_id_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_id_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_name_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_name_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_id_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_id_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_name_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_name_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_id_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_id_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_name_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_name_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_id_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_id_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_name_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_name_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_id_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_id_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_name_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_name_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_atoms_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_inner_bonds_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_inner_bonds_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_component(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_component as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From molecule
[docs]
@digest(form=form)
def get_atom_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_id_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_id_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_name_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_name_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_id_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_id_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_name_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_name_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_id_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_id_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_name_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_name_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_id_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_id_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_name_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_name_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_id_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_id_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_name_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_name_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_id_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_id_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_name_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_name_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_atoms_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_inner_bonds_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_inner_bonds_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_molecule(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_molecule as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From entity
[docs]
@digest(form=form)
def get_atom_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_id_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_id_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_name_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_name_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_id_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_id_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_name_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_name_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_id_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_id_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_name_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_name_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_id_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_id_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_name_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_name_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_id_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_id_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_name_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_name_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_id_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_id_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_name_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_name_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_atoms_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_inner_bonds_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_inner_bonds_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_entity(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_entity as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From chain
[docs]
@digest(form=form)
def get_atom_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_id_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_id_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_name_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_name_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_atom_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_atom_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_id_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_id_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_name_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_name_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_group_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_group_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_id_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_id_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_name_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_name_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_component_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_component_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_id_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_id_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_name_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_name_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_molecule_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_molecule_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_id_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_id_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_name_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_name_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_entity_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_entity_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_id_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_id_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_name_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_name_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_chain_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_chain_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_atoms_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_inner_bonds_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_inner_bonds_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_chain(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_chain as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From bond
[docs]
@digest(form=form)
def get_bond_index_from_bond(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_bond as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_order_from_bond(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_order_from_bond as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_type_from_bond(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_type_from_bond as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_bond(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_bond as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_bond(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_bond as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_bond(item, indices='all', skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_bond as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From system
[docs]
@digest(form=form)
def get_n_atoms_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_atoms_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_groups_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_groups_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_components_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_components_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_molecules_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_molecules_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_entities_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_entities_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_chains_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_chains_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bonds_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_bonds_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_amino_acids_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_amino_acids_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_nucleotides_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_nucleotides_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_ions_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_ions_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_waters_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_waters_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_small_molecules_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_small_molecules_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_lipids_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_lipids_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_polysaccharides_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_polysaccharides_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_saccharides_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_saccharides_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_peptides_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_peptides_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_proteins_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_proteins_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_dnas_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_dnas_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_rnas_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_n_rnas_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bond_index_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bond_index_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atoms_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atoms_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bonded_atom_pairs_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_bonded_atom_pairs_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bond_index_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bond_index_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atoms_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atoms_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_inner_bonded_atom_pairs_from_system(item, skip_digestion=False):
from . import to_openmm_Topology
from ..openmm_Topology import get_inner_bonded_atom_pairs_from_system as aux_get
tmp_item = to_openmm_Topology(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
# List of functions to be imported
__all__ = [name for name, obj in globals().items() if isinstance(obj, types.FunctionType) and name.startswith('get_')]