openff.recharge.utilities.toolkits.get_atom_symmetries
- openff.recharge.utilities.toolkits.get_atom_symmetries(molecule: Molecule) list[int] [source]
Returns indices that describe which atoms in a molecule a topologically symmetrical.
- Parameters
molecule – The molecule of interest.
- Returns
A list of n_atom indices, whereby atoms with the same index are considered
to be topologically symmetrical.