openchemlib-utils
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    Interface GroupedDiaID

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

    Properties

    atomLabel atoms attachedHydrogens attachedHydrogensCustomLabels counter customLabels existingAtoms heavyAtoms heavyAtomsCustomLabels oclID

    Properties

    atomLabel: string

    Atom label (C, N, O, etc.)

    atoms: number[]
    attachedHydrogens: number[]

    Lists of connected hydrogens in the case of heavy atoms

    attachedHydrogensCustomLabels: string[]

    In the case of heavy atoms, list of custom labels found for the attached hydrogens in the group

    counter: number
    customLabels: string[]

    List of custom labels found for the atoms in the group

    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[]

    List of connected heavy atoms in the case of hydrogens

    heavyAtomsCustomLabels: string[]

    In the case of hydrogens, list of custom labels found for the connected heavy atoms in the group

    oclID: string

    Diastereotopic ID of the group

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