org.jmol.minimize.forcefield
Class CalculationsUFF.PairCalc

java.lang.Object
  extended by org.jmol.minimize.forcefield.Calculation
      extended by org.jmol.minimize.forcefield.CalculationsUFF.PairCalc
Direct Known Subclasses:
CalculationsUFF.ESCalc, CalculationsUFF.VDWCalc
Enclosing class:
CalculationsUFF

abstract class CalculationsUFF.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, parA, parB, parC, rab, theta
 
Constructor Summary
CalculationsUFF.PairCalc()
           
 
Method Summary
(package private) abstract  void setData(List 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

CalculationsUFF.PairCalc

CalculationsUFF.PairCalc()
Method Detail

setData

abstract void setData(List calc,
                      int ia,
                      int ib)