org.jmol.minimize.forcefield

Class Calculations.PairCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.Calculations.PairCalc

Direct Known Subclasses:

CalculationsMMFF.ESCalc, CalculationsMMFF.VDWCalc, CalculationsUFF.VDWCalc

Enclosing class:

Calculations

abstract class Calculations.PairCalc
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
PairCalc()

Method Summary

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

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

compute, getEnergy, getPointers

Methods inherited from class java.lang.Object

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

Constructor Detail

PairCalc

PairCalc()

Method Detail

setData

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