Package etomica.models.nitrogen

Class MeterDirectInitPert

java.lang.Object

etomica.data.DataSourceScalar

etomica.models.nitrogen.MeterDirectInitPert

All Implemented Interfaces:

IDataSource

public class MeterDirectInitPert
extends DataSourceScalar

Meter used for overlap sampling in the target-sampled system. The meter measures the ratio of the Boltzmann factors for the reference and target potentials.

Field Summary

Fields

Modifier and Type	Field	Description
protected double	constraintAngle
protected CoordinateDefinitionNitrogen	coordinateDef
protected double[]	initU
protected IntegratorBox	integrator
protected MeterPotentialEnergyFromIntegrator	meterEnergy
protected MeterPotentialEnergy	meterPotentialEnergy
protected double[]	newU
protected IRandom	random

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterDirectInitPert(IntegratorBox integrator, MeterPotentialEnergy meterPotentialEnergy, CoordinateDefinitionNitrogen coordinateDef, IRandom random)

Method Summary

Modifier and Type	Method	Description
double	getConstraintAngle()
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
void	setConstraintAngle(double constraintAngle)

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from class java.lang.Object

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

Field Detail

meterEnergy

protected final MeterPotentialEnergyFromIntegrator meterEnergy

meterPotentialEnergy

protected final MeterPotentialEnergy meterPotentialEnergy

integrator

protected final IntegratorBox integrator

constraintAngle

protected double constraintAngle

coordinateDef

protected CoordinateDefinitionNitrogen coordinateDef

random

protected IRandom random

newU

protected double[] newU

initU

protected double[] initU

Constructor Detail

MeterDirectInitPert

public MeterDirectInitPert(IntegratorBox integrator,
                           MeterPotentialEnergy meterPotentialEnergy,
                           CoordinateDefinitionNitrogen coordinateDef,
                           IRandom random)

Method Detail

getDataAsScalar

public double getDataAsScalar()

Description copied from class: DataSourceScalar

Returns a single scalar value as the measurement for the given box. Subclasses define this method to specify the measurement they make.

Specified by:

getDataAsScalar in class DataSourceScalar

getConstraintAngle

public double getConstraintAngle()

setConstraintAngle

public void setConstraintAngle(double constraintAngle)