Package etomica.virial.GUI.models

Class MolecularModelEMP2_SpeciesCO2

java.lang.Object

etomica.virial.GUI.models.MolecularModelEMP2_SpeciesCO2

All Implemented Interfaces:

IMolecularModel_SpeciesFactory, java.lang.Cloneable

public class MolecularModelEMP2_SpeciesCO2
extends java.lang.Object
implements IMolecularModel_SpeciesFactory, java.lang.Cloneable

Constructor Summary

Constructors

Constructor	Description
MolecularModelEMP2_SpeciesCO2()

Method Summary

Modifier and Type	Method	Description
java.lang.Object	clone()
ISpecies	createSpecies()
double	getBondL()
double	getCharge(int index)
java.lang.String	getDescription(java.lang.String Parameter)
java.lang.Double	getDoubleDefaultParameters(java.lang.String Parameter)
double	getEpsilon(int index)
int	getId()
java.lang.String	getMolecularModelDisplayName()
java.lang.String	getMoleculeDisplayName()
java.lang.String	getNonBondedInteractionModel()
java.lang.String[][]	getParamAndValues()
int	getParameterCount()
java.lang.String[]	getParametersArray()
java.lang.Class	getPotential()
java.lang.String	getPotentialSiteAtIndex(int index)
java.lang.String[]	getPotentialSites()
java.lang.String	getPotentialSites(int index)
double	getSigma(int index)
double	getSigmaHSRef()
Space	getSpace()
boolean	hasElectrostaticInteraction()
boolean	IsPotentialSiteMoreThanOne()
void	setBondL(double bondL)
void	setCharge(double charge, int index)
void	setEpsilon(double epsilon, int index)
void	setParameter(java.lang.String Parameter, java.lang.String ParameterValue)
void	setSigma(double sigma, int index)
void	setSigmaHSRef(double sigmaHSRef)

Methods inherited from class java.lang.Object

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

Constructor Detail

MolecularModelEMP2_SpeciesCO2

public MolecularModelEMP2_SpeciesCO2()

Method Detail

getPotentialSiteAtIndex

public java.lang.String getPotentialSiteAtIndex(int index)

Specified by:

getPotentialSiteAtIndex in interface IMolecularModel_SpeciesFactory

IsPotentialSiteMoreThanOne

public boolean IsPotentialSiteMoreThanOne()

getSigmaHSRef

public double getSigmaHSRef()

setSigmaHSRef

public void setSigmaHSRef(double sigmaHSRef)

getCharge

public double getCharge(int index)

setCharge

public void setCharge(double charge,
                      int index)

getBondL

public double getBondL()

setBondL

public void setBondL(double bondL)

getId

public int getId()

getSigma

public double getSigma(int index)

setSigma

public void setSigma(double sigma,
                     int index)

getEpsilon

public double getEpsilon(int index)

setEpsilon

public void setEpsilon(double epsilon,
                       int index)

clone

public java.lang.Object clone()

Specified by:

clone in interface IMolecularModel_SpeciesFactory

Overrides:

clone in class java.lang.Object

createSpecies

public ISpecies createSpecies()

Specified by:

createSpecies in interface IMolecularModel_SpeciesFactory

getParameterCount

public int getParameterCount()

Specified by:

getParameterCount in interface IMolecularModel_SpeciesFactory

setParameter

public void setParameter(java.lang.String Parameter,
                         java.lang.String ParameterValue)

Specified by:

setParameter in interface IMolecularModel_SpeciesFactory

getDescription

public java.lang.String getDescription(java.lang.String Parameter)

Specified by:

getDescription in interface IMolecularModel_SpeciesFactory

getDoubleDefaultParameters

public java.lang.Double getDoubleDefaultParameters(java.lang.String Parameter)

Specified by:

getDoubleDefaultParameters in interface IMolecularModel_SpeciesFactory

getParametersArray

public java.lang.String[] getParametersArray()

Specified by:

getParametersArray in interface IMolecularModel_SpeciesFactory

getMolecularModelDisplayName

public java.lang.String getMolecularModelDisplayName()

Specified by:

getMolecularModelDisplayName in interface IMolecularModel_SpeciesFactory

getPotentialSites

public java.lang.String getPotentialSites(int index)

getParamAndValues

public java.lang.String[][] getParamAndValues()

Specified by:

getParamAndValues in interface IMolecularModel_SpeciesFactory

getPotentialSites

public java.lang.String[] getPotentialSites()

Specified by:

getPotentialSites in interface IMolecularModel_SpeciesFactory

getMoleculeDisplayName

public java.lang.String getMoleculeDisplayName()

Specified by:

getMoleculeDisplayName in interface IMolecularModel_SpeciesFactory

getPotential

public java.lang.Class getPotential()

Specified by:

getPotential in interface IMolecularModel_SpeciesFactory

getSpace

public Space getSpace()

Specified by:

getSpace in interface IMolecularModel_SpeciesFactory

hasElectrostaticInteraction

public boolean hasElectrostaticInteraction()

Specified by:

hasElectrostaticInteraction in interface IMolecularModel_SpeciesFactory

getNonBondedInteractionModel

public java.lang.String getNonBondedInteractionModel()

Specified by:

getNonBondedInteractionModel in interface IMolecularModel_SpeciesFactory