org.jmol.minimize.forcefield
Class ForceFieldUFF

java.lang.Object
  org.jmol.minimize.forcefield.ForceField
      org.jmol.minimize.forcefield.ForceFieldUFF

public class ForceFieldUFF
extends ForceField

Field Summary

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

atomCount, atoms, bondCount, bonds, bsFixed, calc, EANGLE, EBOND, EELECTROSTATIC, ENERGY, EOOP, ESTRBND, ETORSION, EVDW, viewer

Constructor Summary

ForceFieldUFF()

Method Summary

java.util.Vector	getAtomTypes()
protected java.util.Hashtable	getFFParameters()
void	setModel(Minimizer m)

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

detectExplosion, energyAngle, energyBond, energyES, energyFull, energyOOP, energyStrBnd, energyTorsion, energyVDW, getAtomList, getCurrentStep, getEnergy, getEnergyDiff, getLogData, getNormalizedDE, setConstraints, setup, steepestDescentInitialize, steepestDescentTakeNSteps

Methods inherited from class java.lang.Object

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

Constructor Detail

ForceFieldUFF

public ForceFieldUFF()

Method Detail

setModel

public void setModel(Minimizer m)

Overrides:

setModel in class ForceField

getFFParameters

protected java.util.Hashtable getFFParameters()

Specified by:

getFFParameters in class ForceField

getAtomTypes

public java.util.Vector getAtomTypes()

Specified by:

getAtomTypes in class ForceField