Class QMAtom

java.lang.Object
javajs.util.T3
javajs.util.P3
org.jmol.quantum.QMAtom
All Implemented Interfaces:
Serializable, javajs.api.JSONEncodable

class QMAtom extends javajs.util.P3
  • Field Summary

    Fields
    Modifier and Type
    Field
    Description
    (package private) Atom
     
    (package private) int
     
    (package private) int
     
    private float[]
     
    private float[]
     
    private float[]
     
    private float[]
     
    private float[]
     
    private float[]
     
    (package private) int
     

    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

    Modifier and Type
    Method
    Description
    protected void
    setXYZ(QuantumCalculation qc, boolean setMinMax)
     

    Methods inherited from class javajs.util.P3

    getUnlikely, new3, newA, 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 Details

    • myX

      private float[] myX
    • myY

      private float[] myY
    • myZ

      private float[] myZ
    • myX2

      private float[] myX2
    • myY2

      private float[] myY2
    • myZ2

      private float[] myZ2
    • atom

      Atom atom
    • index

      int index
    • znuc

      int znuc
    • iMolecule

      int iMolecule
  • Constructor Details

    • 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 -
  • Method Details