org.jmol.minimize.forcefield
Class ForceFieldUFF
java.lang.Object
org.jmol.minimize.forcefield.ForceField
org.jmol.minimize.forcefield.ForceFieldUFF
public class ForceFieldUFF
- extends ForceField
Fields inherited from class org.jmol.minimize.forcefield.ForceField |
atomCount, atoms, bondCount, bonds, bsFixed, calc, currentStep, EANGLE, EBOND, EELECTROSTATIC, ENERGY, EOOP, ESTRBND, ETORSION, EVDW, minimizer |
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 |
ForceFieldUFF
public ForceFieldUFF()
setModel
public void setModel(Minimizer m)
- Overrides:
setModel
in class ForceField
getFFParameters
protected Hashtable getFFParameters()
- Specified by:
getFFParameters
in class ForceField
getAtomTypes
public List getAtomTypes()
- Specified by:
getAtomTypes
in class ForceField