org.jmol.minimize.forcefield
Class CalculationsUFF.TorsionCalc

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

 class CalculationsUFF.TorsionCalc
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.TorsionCalc()
           
 
Method Summary
(package private)  double compute(java.lang.Object[] dataIn)
           
(package private)  void setData(java.util.List calc, int i)
           
 
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.TorsionCalc

CalculationsUFF.TorsionCalc()
Method Detail

setData

void setData(java.util.List calc,
             int i)

compute

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