Function getHoseCodesForAtoms

  • Returns the hose code for specific atom numbers

    Parameters

    • originalMolecule: Molecule

      The OCL molecule to be fragmented

    • rootAtoms: number[] = []
    • Optional options: {
          kind: undefined | number;
          maxSphereSize: undefined | number;
          minSphereSize: undefined | number;
      } = {}
      • 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[]