meshi.energy.simpleEnergyTerms.angle
Class AngleEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.simpleEnergyTerms.angle.AngleEnergyElement

public class AngleEnergyElement
extends EnergyElement

Field Summary

protected Angle	angle
protected Atom	atom1
protected Atom	atom2
protected Atom	atom3
double	force
double	force2
protected double	infForce
protected double	infForce3
protected int	number1
protected int	number2
protected int	number3
double	target
(package private) double	weight

Fields inherited from class meshi.energy.EnergyElement

atoms, dFormatSrt, dFormatStd, DX, frozen, relativeDiffTolerance, VERY_SMALL, XYZ

Constructor Summary

AngleEnergyElement(Angle angle, Parameters parameters, double weight)

Method Summary

double	evaluate() Angle energy calculation and atom forces updating.
protected void	setAtoms()
java.lang.String	toString()

Methods inherited from class meshi.energy.EnergyElement

atoms, evaluateAtoms, frozen, test, updateFrozen

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

atom1

protected Atom atom1

atom2

protected Atom atom2

atom3

protected Atom atom3

number1

protected int number1

number2

protected int number2

number3

protected int number3

angle

protected Angle angle

target

public double target

force

public double force

force2

public double force2

infForce

protected final double infForce

See Also:

Constant Field Values

infForce3

protected final double infForce3

See Also:

Constant Field Values

weight

double weight

Constructor Detail

AngleEnergyElement

public AngleEnergyElement(Angle angle,
                          Parameters parameters,
                          double weight)

Method Detail

setAtoms

protected void setAtoms()

Specified by:

setAtoms in class EnergyElement

evaluate

public double evaluate()

Angle energy calculation and atom forces updating.

Specified by:

evaluate in class EnergyElement

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object