This function groups the diasterotopic atomIds of the molecule based on equivalence of atoms. The output object contains
a set of chemically equivalent atoms(element.atoms) and the groups of magnetically equivalent atoms (element.magneticGroups)
Parameters
molecule: Molecule
Optionaloptions: {atomLabel?:string} = {}
OptionalatomLabel?: string
Select atoms of the given atomLabel. By default it returns all the explicit atoms in the molecule
This function groups the diasterotopic atomIds of the molecule based on equivalence of atoms. The output object contains a set of chemically equivalent atoms(element.atoms) and the groups of magnetically equivalent atoms (element.magneticGroups)