Function getHoseCodesForAtom

  • Returns the hose code for a specific atom number

    Parameters

    • originalMolecule: Molecule
    • rootAtom: number
    • Optional options: {
          isTagged: undefined | boolean;
          kind: undefined | number;
          maxSphereSize: undefined | number;
          minSphereSize: undefined | number;
      } = {}
      • isTagged: undefined | boolean

        Specify is the atom is already tagged

      • kind: undefined | number

        Kind of hose code, default usual sphere

      • maxSphereSize: undefined | number

        Largest hose code sphere

      • minSphereSize: undefined | number

        Smallest hose code sphere

    Returns any[]