Package org.jmol.quantum
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
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Field Summary
FieldsModifier and TypeFieldDescription(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
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprotected 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
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Field Details
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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
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Constructor Details
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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
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Method Details
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setXYZ
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