Class QMAtom

  • All Implemented Interfaces:
    java.io.Serializable, javajs.api.JSONEncodable

    class QMAtom
    extends javajs.util.P3
    • Field Summary

      Fields 
      Modifier and Type Field Description
      (package private) Atom atom  
      (package private) int iMolecule  
      (package private) int index  
      private float[] myX  
      private float[] myX2  
      private float[] myY  
      private float[] myY2  
      private float[] myZ  
      private float[] myZ2  
      (package private) int znuc  
      • Fields inherited from class javajs.util.T3

        x, y, z
    • Constructor Summary

      Constructors 
      Constructor Description
      QMAtom​(int i, javajs.util.T3 xyzAng, Atom atom, float[] X, float[] Y, float[] Z, float[] X2, float[] Y2, float[] Z2, float unitFactor)  
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      protected void setXYZ​(QuantumCalculation qc, boolean setMinMax)  
      • Methods inherited from class javajs.util.P3

        getUnlikely, new3, newP
      • Methods inherited from class javajs.util.T3

        add, add2, add3, ave, cross, distance, distanceSquared, dot, equals, floatToIntBits, hashCode, length, lengthSquared, normalize, scale, scaleAdd2, scaleT, set, setA, setT, sub, sub2, toJSON, toString
      • Methods inherited from class java.lang.Object

        clone, finalize, getClass, notify, notifyAll, wait, wait, wait
    • Field Detail

      • myX

        private float[] myX
      • myY

        private float[] myY
      • myZ

        private float[] myZ
      • myX2

        private float[] myX2
      • myY2

        private float[] myY2
      • myZ2

        private float[] myZ2
      • index

        int index
      • znuc

        int znuc
      • iMolecule

        int iMolecule
    • Constructor Detail

      • QMAtom

        QMAtom​(int i,
               javajs.util.T3 xyzAng,
               Atom atom,
               float[] X,
               float[] Y,
               float[] Z,
               float[] X2,
               float[] Y2,
               float[] Z2,
               float unitFactor)
        Parameters:
        i -
        xyzAng -
        atom -
        X -
        Y -
        Z -
        X2 -
        Y2 -
        Z2 -
        unitFactor -