Package etomica.data.meter

Class MeterLocalMoleFraction

java.lang.Object

etomica.data.DataSourceScalar

etomica.data.meter.MeterLocalMoleFraction

All Implemented Interfaces:

IDataSource

public class MeterLocalMoleFraction
extends DataSourceScalar

Meter for measurement of species mole fraction within a specified subvolume

Field Summary

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterLocalMoleFraction(Space space, Box _box)

Method Summary

Modifier and Type	Method	Description
Box	getBox()
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
AtomIteratorBoxDependent	getIterator()
Polytope	getShape()	Returns the subvolume shape for the mole fraction calculation.
Vector	getShapeOrigin()	Returns the origin of the subvolume.
ISpecies	getSpecies()	Accessor method to get the current value of the species index
void	setIterator(AtomIteratorBoxDependent iterator)
void	setShape(Polytope shape)	Sets the subvolume shape for the mole fraction calculation.
void	setShapeOrigin(Vector newShapeOrigin)	Sets the origin of the subvolume (Polytopes typically have their center at 0).
void	setSpecies(ISpecies s)	Accessor method to set which species mole-fraction or molar-density is averaged To set to total number density, invoke with static ALL_SPECIES field as argument

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

Constructor Detail

MeterLocalMoleFraction

public MeterLocalMoleFraction(Space space,
                              Box _box)

Method Detail

setShape

public void setShape(Polytope shape)

Sets the subvolume shape for the mole fraction calculation.

getShape

public Polytope getShape()

Returns the subvolume shape for the mole fraction calculation.

setShapeOrigin

public void setShapeOrigin(Vector newShapeOrigin)

Sets the origin of the subvolume (Polytopes typically have their center at 0). The shape origin is 0 by default.

getShapeOrigin

public Vector getShapeOrigin()

Returns the origin of the subvolume.

setSpecies

public final void setSpecies(ISpecies s)

Accessor method to set which species mole-fraction or molar-density is averaged To set to total number density, invoke with static ALL_SPECIES field as argument

getSpecies

public final ISpecies getSpecies()

Accessor method to get the current value of the species index

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

Returns:

the current value of the local density or local mole fraction

getBox

public Box getBox()

Returns:

Returns the box.

getIterator

public AtomIteratorBoxDependent getIterator()

Returns:

Returns the iterator.

setIterator

public void setIterator(AtomIteratorBoxDependent iterator)

Parameters:

iterator - The iterator to set.