meshi.energy.pairwiseNonBondedTerms.ExcludedVol
Class ExcludedVolEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.pairwiseNonBondedTerms.NonBondedEnergyElement
          meshi.energy.pairwiseNonBondedTerms.ExcludedVol.ExcludedVolEnergyElement

public class ExcludedVolEnergyElement
extends NonBondedEnergyElement

Field Summary

protected Atom	atom1
protected Atom	atom2
protected double	C1
protected double	C2
protected double	dEdD
protected double	dEdX
protected double	dEdY
protected double	dEdZ
protected Distance	distance
protected DistanceMatrix	distanceMatrix
protected double	energy
protected boolean	frozen
protected ExcludedVolParametersList	parametersList
protected double	Rfac
protected double	rMax
protected double	sigma
(package private) int	type
protected double	weight

Fields inherited from class meshi.energy.EnergyElement

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

Constructor Summary

ExcludedVolEnergyElement()

ExcludedVolEnergyElement(ExcludedVolParametersList parametersList, DistanceMatrix distanceMatrix, int type, double weight, double Rfac)

Method Summary

double	evaluate()
void	set(java.lang.Object obj)
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

distanceMatrix

protected DistanceMatrix distanceMatrix

atom1

protected Atom atom1

atom2

protected Atom atom2

distance

protected Distance distance

type

int type

sigma

protected double sigma

C1

protected double C1

C2

protected double C2

Rfac

protected double Rfac

frozen

protected boolean frozen

dEdD

protected double dEdD

dEdX

protected double dEdX

dEdY

protected double dEdY

dEdZ

protected double dEdZ

energy

protected double energy

weight

protected double weight

rMax

protected double rMax

parametersList

protected ExcludedVolParametersList parametersList

Constructor Detail

ExcludedVolEnergyElement

public ExcludedVolEnergyElement()

ExcludedVolEnergyElement

public ExcludedVolEnergyElement(ExcludedVolParametersList parametersList,
                                DistanceMatrix distanceMatrix,
                                int type,
                                double weight,
                                double Rfac)

Method Detail

setAtoms

protected void setAtoms()

Specified by:

setAtoms in class EnergyElement

set

public void set(java.lang.Object obj)

Specified by:

set in class NonBondedEnergyElement

evaluate

public double evaluate()

Specified by:

evaluate in class EnergyElement

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object