get_openff_molecule_bond_indices

openff.nagl.toolkits.openff.get_openff_molecule_bond_indices(molecule: Molecule) List[Tuple[int, int]][source]

Get the atom indices of each bond in an OpenFF molecule.

Parameters:

molecule – The molecule to get the bond indices for.

Returns:

bond_indices – The atom indices of each bond in the molecule. The indices are sorted in ascending order for each bond. The bonds are ordered by the molecule bond order.