org.jmol.minimize.forcefield

Class CalculationsUFF.PositionCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.CalculationsUFF.PositionCalc

Enclosing class:

CalculationsUFF

 class CalculationsUFF.PositionCalc
extends Calculation

Field Summary

Fields inherited from class org.jmol.minimize.forcefield.Calculation

a, b, c, d, dData, dE, delta, energy, ia, ib, ic, id, iData, key, rab, theta

Constructor Summary

Constructors

Constructor and Description
CalculationsUFF.PositionCalc()

Method Summary

Methods

Modifier and Type	Method and Description
(package private) double	compute(java.lang.Object[] dataIn)
void	setData(JmolList<java.lang.Object[]> calc, int[] data, double[] ddata)

Methods inherited from class org.jmol.minimize.forcefield.Calculation

getEnergy, getPointers

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

CalculationsUFF.PositionCalc

CalculationsUFF.PositionCalc()

Method Detail

compute

double compute(java.lang.Object[] dataIn)

Specified by:

compute in class Calculation

setData

public void setData(JmolList<java.lang.Object[]> calc,
           int[] data,
           double[] ddata)