Package etomica.modules.catalysis

Class DataSourceWallPressureCatalysis

java.lang.Object

etomica.modules.catalysis.DataSourceWallPressureCatalysis

All Implemented Interfaces:

IDataSource, IntegratorHard.CollisionListener

public class DataSourceWallPressureCatalysis
extends java.lang.Object
implements IDataSource, IntegratorHard.CollisionListener

Field Summary

Fields

Modifier and Type	Field	Description
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected IntegratorHard	integratorHard
protected AtomLeafAgentManager	interactionAgentManager
protected double	lastTime
protected Space	space
protected ISpecies	speciesC
protected ISpecies	speciesO
protected DataTag	tag
protected double	virialSumCO
protected double	virialSumCO2
protected double	virialSumO2

Constructor Summary

Constructors

Constructor	Description
DataSourceWallPressureCatalysis(Space space, ISpecies speciesC, ISpecies speciesO, AtomLeafAgentManager interactionAgentManager)

Method Summary

Modifier and Type	Method	Description
void	collisionAction(IntegratorHard.Agent agent)	Implementation of CollisionListener interface Adds collision virial (from potential) to accumulator
IData	getData()
IDataInfo	getDataInfo()
IntegratorHard	getIntegrator()
DataTag	getTag()
void	setIntegrator(IntegratorHard newIntegrator)	Registers meter as a collisionListener to the integrator, and sets up a DataSourceTimer to keep track of elapsed time of integrator.

Methods inherited from class java.lang.Object

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

Field Detail

space

protected final Space space

speciesC

protected final ISpecies speciesC

speciesO

protected final ISpecies speciesO

interactionAgentManager

protected final AtomLeafAgentManager interactionAgentManager

integratorHard

protected IntegratorHard integratorHard

virialSumCO

protected double virialSumCO

virialSumO2

protected double virialSumO2

virialSumCO2

protected double virialSumCO2

lastTime

protected double lastTime

data

protected final DataDoubleArray data

dataInfo

protected final DataDoubleArray.DataInfoDoubleArray dataInfo

tag

protected final DataTag tag

Constructor Detail

DataSourceWallPressureCatalysis

public DataSourceWallPressureCatalysis(Space space,
                                       ISpecies speciesC,
                                       ISpecies speciesO,
                                       AtomLeafAgentManager interactionAgentManager)

Method Detail

collisionAction

public void collisionAction(IntegratorHard.Agent agent)

Implementation of CollisionListener interface Adds collision virial (from potential) to accumulator

Specified by:

collisionAction in interface IntegratorHard.CollisionListener

getDataInfo

public IDataInfo getDataInfo()

Specified by:

getDataInfo in interface IDataSource

getTag

public DataTag getTag()

Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

setIntegrator

public void setIntegrator(IntegratorHard newIntegrator)

Registers meter as a collisionListener to the integrator, and sets up a DataSourceTimer to keep track of elapsed time of integrator.

getIntegrator

public IntegratorHard getIntegrator()