Package etomica.data.meter

Class MeterPressureByVolumeChange

java.lang.Object

etomica.data.meter.MeterPressureByVolumeChange

All Implemented Interfaces:

IDataSource, java.io.Serializable

public class MeterPressureByVolumeChange
extends java.lang.Object
implements IDataSource, java.io.Serializable

Evaluates the pressure by examining the change in energy accompanying small changes in volume. Pressure is approximately log()/deltaV where x is one of the values returned by getData ( is that value averaged) and deltaV is the change in volume associated with that x value. deltaV = s * V where s is the scaling factor (available via getScalingDataSource)

See Also:

Serialized Form

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
protected static class	MeterPressureByVolumeChange.DataSourceExp	Transforms the scaling from linear (-s to +s) to exponential (exp(-s) to exp(+s))

Field Summary

Fields

Modifier and Type	Field	Description
protected MeterPressureByVolumeChange.DataSourceExp	vDataSource

Constructor Summary

Constructors

Constructor	Description
MeterPressureByVolumeChange(Space space)
MeterPressureByVolumeChange(Space space, boolean[] dimensions)
MeterPressureByVolumeChange(Space space, boolean[] dimensions, BoxInflateDeformable pid)
MeterPressureByVolumeChange(Space space, BoxInflateDeformable pid)

Method Summary

Modifier and Type	Method	Description
IData	getData()
IDataInfo	getDataInfo()
boolean[]	getInflateDimensions()	Accessor method for setInflateDimension.
IntegratorBox	getIntegrator()	Returns the integrator associated with this instance.
IDataSource	getScalingDataSource()	Returns the data source for volume scalings.
DataTag	getTag()
void	setInflateDimensions(boolean[] directions)	For anisotropic volume change, indicates dimension in which volume is perturbed.
void	setIntegrator(IntegratorBox newIntegrator)	Sets the integrator associated with this instance.
void	setX(double min, double max, int n)

Methods inherited from class java.lang.Object

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

Field Detail

vDataSource

protected MeterPressureByVolumeChange.DataSourceExp vDataSource

Constructor Detail

MeterPressureByVolumeChange

public MeterPressureByVolumeChange(Space space)

MeterPressureByVolumeChange

public MeterPressureByVolumeChange(Space space,
                                   boolean[] dimensions)

MeterPressureByVolumeChange

public MeterPressureByVolumeChange(Space space,
                                   BoxInflateDeformable pid)

MeterPressureByVolumeChange

public MeterPressureByVolumeChange(Space space,
                                   boolean[] dimensions,
                                   BoxInflateDeformable pid)

Method Detail

setIntegrator

public void setIntegrator(IntegratorBox newIntegrator)

Sets the integrator associated with this instance. The pressure is calculated for the box the integrator acts on and the integrator's temperature is used to calculate the pressure.

getIntegrator

public IntegratorBox getIntegrator()

Returns the integrator associated with this instance. The pressure is calculated for the box the integrator acts on and the integrator's temperature is used to calculate the pressure.

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

setInflateDimensions

public final void setInflateDimensions(boolean[] directions)

For anisotropic volume change, indicates dimension in which volume is perturbed.

getInflateDimensions

public boolean[] getInflateDimensions()

Accessor method for setInflateDimension.

setX

public void setX(double min,
                 double max,
                 int n)

getScalingDataSource

public IDataSource getScalingDataSource()

Returns the data source for volume scalings.

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source