org.jmol.minimize.forcefield

Class CalculationsUFF.OOPCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.CalculationsUFF.OOPCalc

Enclosing class:

CalculationsUFF

 class CalculationsUFF.OOPCalc
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, parA, parB, parC, rab, theta

Constructor Summary

Constructors

Constructor and Description
CalculationsUFF.OOPCalc()

Method Summary

Methods

Modifier and Type	Method and Description
(package private) double	compute(java.lang.Object[] dataIn)
(package private) void	setData(java.util.List<java.lang.Object[]> calc, int ib, int elemNo)

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.OOPCalc

CalculationsUFF.OOPCalc()

Method Detail

setData

void setData(java.util.List<java.lang.Object[]> calc,
           int ib,
           int elemNo)

compute

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

Specified by:

compute in class Calculation