org.jmol.minimize.forcefield
Class CalculationsUFF.OOPCalc

java.lang.Object
  extended by org.jmol.minimize.forcefield.Calculation
      extended by org.jmol.minimize.forcefield.CalculationsUFF.OOPCalc
Enclosing class:
CalculationsUFF

 class CalculationsUFF.OOPCalc
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.OOPCalc()
           
 
Method Summary
(package private)  double compute(Object[] dataIn)
           
(package private)  void setData(List calc, int ib, int elemNo)
           
 
Methods inherited from class org.jmol.minimize.forcefield.Calculation
getEnergy, getPointers
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

CalculationsUFF.OOPCalc

CalculationsUFF.OOPCalc()
Method Detail

setData

void setData(List calc,
             int ib,
             int elemNo)

compute

double compute(Object[] dataIn)
Specified by:
compute in class Calculation