Class MinAtom


  • public class MinAtom
    extends Object
    • Field Detail

      • index

        int index
      • atom

        public Atom atom
      • ffAtomType

        public AtomType ffAtomType
      • ffType

        public int ffType
      • coord

        public double[] coord
      • force

        public double[] force
      • bonds

        private javajs.util.Lst<MinBond> bonds
      • nBonds

        public int nBonds
      • hCount

        public int hCount
      • partialCharge

        public double partialCharge
      • bsVdw

        public javajs.util.BS bsVdw
      • bs14

        public javajs.util.BS bs14
      • bondedAtoms

        int[] bondedAtoms
    • Constructor Detail

      • MinAtom

        MinAtom​(int index,
                Atom atom,
                double[] coord,
                int ac)
    • Method Detail

      • set

        void set()
      • getBondTo

        public MinBond getBondTo​(int iAtom)
      • getBondedAtomIndexes

        public int[] getBondedAtomIndexes()
      • getIdentity

        public String getIdentity()
      • addBond

        public void addBond​(MinBond bond,
                            int i)
      • getBondIndex

        public int getBondIndex​(int j)
      • isLinear

        public static boolean isLinear​(MinAtom minAtom)