Class CalculatorPlugin.HydrogenData

    • Constructor Detail

      • HydrogenData

        public HydrogenData​(MolAtom hydrogen,
                            int atomIndex,
                            int indexOfOriginalLigand,
                            int chiralityOfOriginalLigand)
    • Method Detail

      • getIndexOfOriginalLigand

        public int getIndexOfOriginalLigand()
      • setIndexOfOriginalLigand

        public void setIndexOfOriginalLigand​(int indexOfOriginalLigand)
      • getHydrogen

        public MolAtom getHydrogen()
      • getChiralityOfOriginalLigand

        public int getChiralityOfOriginalLigand()
      • getAtomIndex

        public int getAtomIndex()
      • getBondFlags

        public int getBondFlags()