Package org.jmol.quantum
Class QMAtom
- java.lang.Object
-
- javajs.util.T3
-
- javajs.util.P3
-
- org.jmol.quantum.QMAtom
-
- All Implemented Interfaces:
java.io.Serializable
,javajs.api.JSONEncodable
class QMAtom extends javajs.util.P3
-
-
Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected void
setXYZ(QuantumCalculation qc, boolean setMinMax)
-
-
-
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
-
-
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
-
-
-
Method Detail
-
setXYZ
protected void setXYZ(QuantumCalculation qc, boolean setMinMax)
-
-