Function getHoseCodesForAtom

  • getHoseCodesForAtom(
        originalMolecule: Molecule,
        rootAtom: number,
        options?: {
            isTagged?: boolean;
            kind?: number;
            maxSphereSize?: number;
            minSphereSize?: number;
        },
    ): any[]

  • Returns the hose code for a specific atom number

    Parameters

    • originalMolecule: Molecule
    • rootAtom: number
    • Optionaloptions: {
          isTagged?: boolean;
          kind?: number;
          maxSphereSize?: number;
          minSphereSize?: number;
      } = {}
      • OptionalisTagged?: boolean

        Specify is the atom is already tagged

      • Optionalkind?: number

        Kind of hose code, default usual sphere

      • OptionalmaxSphereSize?: number

        Largest hose code sphere

      • OptionalminSphereSize?: number

        Smallest hose code sphere

    Returns any[]

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