Interface GroupedDiaID

interface GroupedDiaID {
    atomLabel: string;
    atoms: number[];
    attachedHydrogens: number[];
    counter: number;
    existingAtoms: number[];
    heavyAtoms: number[];
    oclID: string;
}

Properties

atomLabel: string

atoms: number[]

attachedHydrogens: number[]

counter: number

existingAtoms: number[]

List of atom numbers existing in the molecule. In case of implicit hydrogens we will fallback to the linked heavy atom

heavyAtoms: number[]

oclID: string