meshi.energy.simpleEnergyTerms.bond
Class BondEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.simpleEnergyTerms.bond.BondEnergyElement

public class BondEnergyElement
extends EnergyElement

Field Summary

protected Atom	atom1
protected Atom	atom2
protected Distance	distance
protected double	force
protected double	force2
protected int	number1
protected int	number2
private boolean	on
protected double	target
(package private) double	weight

Fields inherited from class meshi.energy.EnergyElement

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

Constructor Summary

BondEnergyElement()

BondEnergyElement(AtomPair atomPair, Parameters parameters, DistanceMatrix distanceMatrix, double weight)

Method Summary

Atom	atom1()
Atom	atom2()
double	evaluate()
boolean	isOn()
protected void	setAtoms()
java.lang.String	toString()
void	turnOff()
void	turnOn()
boolean	updateFrozen()

Methods inherited from class meshi.energy.EnergyElement

atoms, evaluateAtoms, frozen, test

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

number1

protected int number1

number2

protected int number2

distance

protected Distance distance

target

protected double target

force

protected double force

force2

protected double force2

on

private boolean on

weight

double weight

Constructor Detail

BondEnergyElement

public BondEnergyElement()

BondEnergyElement

public BondEnergyElement(AtomPair atomPair,
                         Parameters parameters,
                         DistanceMatrix distanceMatrix,
                         double weight)

Method Detail

updateFrozen

public boolean updateFrozen()

Overrides:

updateFrozen in class EnergyElement

setAtoms

protected void setAtoms()

Specified by:

setAtoms in class EnergyElement

evaluate

public double evaluate()

Specified by:

evaluate in class EnergyElement

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object

atom1

public Atom atom1()

atom2

public Atom atom2()

isOn

public boolean isOn()

turnOn

public void turnOn()

turnOff

public void turnOff()