org.jmol.minimize.forcefield
Class ForceFieldUFF

java.lang.Object
  extended by org.jmol.minimize.forcefield.ForceField
      extended by 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