Package etomica.data.meter

Class MeterDihedralAngle

java.lang.Object

etomica.data.meter.MeterDihedralAngle

All Implemented Interfaces:

IAction, DataSourceIndependent, IDataSource, java.io.Serializable

public class MeterDihedralAngle
extends java.lang.Object
implements IAction, IDataSource, DataSourceIndependent, java.io.Serializable

Meter for tabulation of a dihedral angle distribution between nearest neighbors. The meter takes data via actionPerformed and returns the average dihedral angle via getData.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected DataFunction	data
protected long[]	gSum
protected AtomsetIteratorBoxDependent	iterator
protected DataDoubleArray	phiData
protected double	rMax
protected Space	space
protected DataTag	tag
protected long	tetraNum
protected DataSourceUniform	xDataSource

Constructor Summary

Constructors

Constructor	Description
MeterDihedralAngle(Space space)	Creates meter with default to compute dihedral angle for all leaf atoms in a box.

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Measures the dihedral angle's for the current configuration of the given box.
Box	getBox()
IData	getData()	Returns the Dihedral distribution, averaged over the calls to actionPerformed since the meter was reset or had some parameter changed (# of bins).
IDataInfo	getDataInfo()
int	getIndependentArrayDimension()	Returns the number of independent data dimensions
DataDoubleArray	getIndependentData(int i)	Returns the X data for the given dimension
DataDoubleArray.DataInfoDoubleArray	getIndependentDataInfo(int i)	Returns the DataInfo for the given dimension
DataTag	getIndependentTag()	Returns the tag associated with this DataSource.
java.lang.String	getName()
DataTag	getTag()
DataSourceUniform	getXDataSource()
void	reset()	Zero's out the G(phi) sum tracked by this meter.
void	setBox(Box box)
void	setName(java.lang.String name)
void	setRmax(double rmax)

Methods inherited from class java.lang.Object

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

Field Detail

box

protected Box box

space

protected final Space space

gSum

protected long[] gSum

data

protected DataFunction data

phiData

protected DataDoubleArray phiData

iterator

protected AtomsetIteratorBoxDependent iterator

xDataSource

protected final DataSourceUniform xDataSource

rMax

protected double rMax

tag

protected final DataTag tag

tetraNum

protected long tetraNum

Constructor Detail

MeterDihedralAngle

public MeterDihedralAngle(Space space)

Creates meter with default to compute dihedral angle for all leaf atoms in a box.

Parameters:

space -

Method Detail

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

setRmax

public void setRmax(double rmax)

reset

public void reset()

Zero's out the G(phi) sum tracked by this meter.

actionPerformed

public void actionPerformed()

Measures the dihedral angle's for the current configuration of the given box.

Specified by:

actionPerformed in interface IAction

getData

public IData getData()

Returns the Dihedral distribution, averaged over the calls to actionPerformed since the meter was reset or had some parameter changed (# of bins).

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

getXDataSource

public DataSourceUniform getXDataSource()

getIndependentData

public DataDoubleArray getIndependentData(int i)

Description copied from interface: DataSourceIndependent

Returns the X data for the given dimension

Specified by:

getIndependentData in interface DataSourceIndependent

getIndependentDataInfo

public DataDoubleArray.DataInfoDoubleArray getIndependentDataInfo(int i)

Description copied from interface: DataSourceIndependent

Returns the DataInfo for the given dimension

Specified by:

getIndependentDataInfo in interface DataSourceIndependent

getIndependentArrayDimension

public int getIndependentArrayDimension()

Description copied from interface: DataSourceIndependent

Returns the number of independent data dimensions

Specified by:

getIndependentArrayDimension in interface DataSourceIndependent

getIndependentTag

public DataTag getIndependentTag()

Description copied from interface: DataSourceIndependent

Returns the tag associated with this DataSource.

Specified by:

getIndependentTag in interface DataSourceIndependent

getBox

public Box getBox()

Returns:

Returns the box.

setBox

public void setBox(Box box)

Parameters:

box - The box to set.

getName

public java.lang.String getName()

setName

public void setName(java.lang.String name)