Package etomica.virial.GUI.models

Class MolecularModelTRAPPE_SpeciesAlkane

java.lang.Object

etomica.virial.GUI.models.MolecularModelTRAPPE_SpeciesAlkane

All Implemented Interfaces:

IMolecularModel_SpeciesFactory, java.lang.Cloneable

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

Constructor Summary

Constructors

Constructor	Description
MolecularModelTRAPPE_SpeciesAlkane()
MolecularModelTRAPPE_SpeciesAlkane(int index)

Method Summary

Modifier and Type	Method	Description
java.lang.Object	clone()
ISpecies	createSpecies()
int	getAlkaneIndex()
double	getBondL()
java.lang.String	getDescription(java.lang.String Parameter)
java.lang.Double	getDoubleDefaultParameters(java.lang.String Parameter)
double	getEpsilon(int index)
double	getForceconstant()
int	getId()
java.lang.String	getMolecularModelDisplayName()
java.lang.String	getMoleculeDisplayName()
java.lang.String	getNonBondedInteractionModel()
int	getNSpheres()
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()
double	getTheta()
double	getTorsionpotentiala0()
double	getTorsionpotentiala1()
double	getTorsionpotentiala2()
double	getTorsionpotentiala3()
boolean	hasElectrostaticInteraction()
boolean	IsPotentialSiteMoreThanOne()
static void	main(java.lang.String[] args)
void	setAlkaneIndex(int alkaneIndex)
void	setBondL(double bondL)
void	setEpsilon(double epsilon, int index)
void	setForceconstant(double forceconstant)
void	setNSpheres(int nSpheres)
void	setParameter(java.lang.String Parameter, java.lang.String ParameterValue)
void	setSigma(double sigma, int index)
void	setSigmaHSRef(double sigmaHSRef)
void	setTheta(double theta)
void	setTorsionpotentiala0(double torsionpotentiala0)
void	setTorsionpotentiala1(double torsionpotentiala1)
void	setTorsionpotentiala2(double torsionpotentiala2)
void	setTorsionpotentiala3(double torsionpotentiala3)

Methods inherited from class java.lang.Object

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

Constructor Detail

MolecularModelTRAPPE_SpeciesAlkane

public MolecularModelTRAPPE_SpeciesAlkane()

MolecularModelTRAPPE_SpeciesAlkane

public MolecularModelTRAPPE_SpeciesAlkane(int index)

Method Detail

getNSpheres

public int getNSpheres()

setNSpheres

public void setNSpheres(int nSpheres)

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)

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

getAlkaneIndex

public int getAlkaneIndex()

setAlkaneIndex

public void setAlkaneIndex(int alkaneIndex)

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

getTheta

public double getTheta()

setTheta

public void setTheta(double theta)

getForceconstant

public double getForceconstant()

setForceconstant

public void setForceconstant(double forceconstant)

getTorsionpotentiala0

public double getTorsionpotentiala0()

setTorsionpotentiala0

public void setTorsionpotentiala0(double torsionpotentiala0)

getTorsionpotentiala1

public double getTorsionpotentiala1()

setTorsionpotentiala1

public void setTorsionpotentiala1(double torsionpotentiala1)

getTorsionpotentiala2

public double getTorsionpotentiala2()

setTorsionpotentiala2

public void setTorsionpotentiala2(double torsionpotentiala2)

getTorsionpotentiala3

public double getTorsionpotentiala3()

setTorsionpotentiala3

public void setTorsionpotentiala3(double torsionpotentiala3)

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

main

public static void main(java.lang.String[] args)

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