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

(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, parA, parB, parC, rab, theta

Constructor Summary

CalculationsUFF.DistanceCalc()

Method Summary

(package private) double	compute(java.lang.Object[] dataIn)
(package private) void	setData(java.util.Vector 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

CalculationsUFF.DistanceCalc

CalculationsUFF.DistanceCalc()

Method Detail

setData

void setData(java.util.Vector calc,
             int ia,
             int ib,
             double bondOrder)

compute

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

Specified by:

compute in class Calculation