org.jmol.minimize.forcefield

Class CalculationsUFF.DistanceCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.CalculationsUFF.DistanceCalc

Enclosing class:

CalculationsUFF

class CalculationsUFF.DistanceCalc
extends Calculation

Field Summary

Fields

Modifier and Type	Field and Description
(package private) double	kb
(package private) double	r0

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
DistanceCalc()

Method Summary

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

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

Field Detail

r0

double r0

kb

double kb

Constructor Detail

DistanceCalc

DistanceCalc()

Method Detail

setData

void setData(javajs.util.List<Object[]> calc,
             int ia,
             int ib,
             double bondOrder)

compute

double compute(Object[] dataIn)

Specified by:

compute in class Calculation