org.jmol.minimize.forcefield

Class CalculationsMMFF.AngleCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.CalculationsMMFF.AngleCalc

Enclosing class:

CalculationsMMFF

class CalculationsMMFF.AngleCalc
extends Calculation

Field Summary

Fields

Modifier and Type	Field and Description
(package private) static double	CB

Fields inherited from class org.jmol.minimize.forcefield.Calculation

a, b, c, d, dData, dE, delta, energy, ia, ib, ic, id, iData, key, rab, theta

Constructor Summary

Constructors

Constructor and Description
AngleCalc()

Method Summary

Modifier and Type	Method and Description
(package private) double	compute(Object[] dataIn)
(package private) void	setData(javajs.util.List<Object[]> calc, MinAngle angle)

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

Field Detail

CB

static final double CB

See Also:

Constant Field Values

Constructor Detail

AngleCalc

AngleCalc()

Method Detail

setData

void setData(javajs.util.List<Object[]> calc,
             MinAngle angle)

compute

double compute(Object[] dataIn)

Specified by:

compute in class Calculation