org.jmol.quantum
Class QuantumCalculation.QMAtom

java.lang.Object
  extended by javax.vecmath.Tuple3f
      extended by javax.vecmath.Point3f
          extended by org.jmol.quantum.QuantumCalculation.QMAtom
All Implemented Interfaces:
java.io.Serializable, java.lang.Cloneable
Enclosing class:
QuantumCalculation

 class QuantumCalculation.QMAtom
extends javax.vecmath.Point3f


Field Summary
(package private)  Atom atom
           
(package private)  int iMolecule
           
(package private)  int index
           
(package private)  boolean isExcluded
           
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 javax.vecmath.Tuple3f
x, y, z
 
Constructor Summary
QuantumCalculation.QMAtom(int i, Atom atom, float[] X, float[] Y, float[] Z, float[] X2, float[] Y2, float[] Z2)
           
 
Method Summary
protected  void setXYZ(boolean setMinMax)
           
 
Methods inherited from class javax.vecmath.Point3f
distance, distanceL1, distanceLinf, distanceSquared, project
 
Methods inherited from class javax.vecmath.Tuple3f
absolute, absolute, add, add, clamp, clamp, clampMax, clampMax, clampMin, clampMin, clone, epsilonEquals, equals, equals, get, get, getX, getY, getZ, hashCode, interpolate, interpolate, negate, negate, scale, scale, scaleAdd, scaleAdd, set, set, set, set, setX, setY, setZ, sub, sub, toString
 
Methods inherited from class java.lang.Object
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

atom

Atom atom

index

int index

znuc

int znuc

iMolecule

int iMolecule

isExcluded

boolean isExcluded
Constructor Detail

QuantumCalculation.QMAtom

QuantumCalculation.QMAtom(int i,
                          Atom atom,
                          float[] X,
                          float[] Y,
                          float[] Z,
                          float[] X2,
                          float[] Y2,
                          float[] Z2)
Method Detail

setXYZ

protected void setXYZ(boolean setMinMax)