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

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

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
- setXYZ
  
  protected void setXYZ(QuantumCalculation qc, boolean setMinMax)