Util::RadialDistribution Class Reference

Detailed Description

Distribution (or histogram) of values for particle separations.

Definition at line 21 of file RadialDistribution.h.

#include <RadialDistribution.h>

Inheritance diagram for Util::RadialDistribution:

Public Member Functions
	RadialDistribution ()
	Default constructor. More...
	RadialDistribution (const RadialDistribution &other)
	Copy constructor. More...
RadialDistribution &	operator= (const RadialDistribution &other)
	Assignment. More...
virtual void	readParameters (std::istream &in)
	Read values of min, max, and nBin from file. More...
void	setParam (double max, int nBin)
	Set parameters and initialize. More...
virtual void	loadParameters (Serializable::IArchive &ar)
	Load internal state from an archive. More...
virtual void	save (Serializable::OArchive &ar)
	Save internal state to an archive. More...
template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize this RadialDistribution to/from an archive. More...
virtual void	clear ()
	Clear all accumulators. More...
void	beginSnapshot ()
	Mark the beginning of a "snapshot" (i.e., a sampled time step). More...
void	setNorm (double norm)
	Set the factor used to normalize the RDF before output. More...
void	setOutputIntegral (bool outputIntegral)
	Set true to enable output of spatial integral of g(r). More...
void	output (std::ostream &out)
	Output the distribution to file. More...
long	nSnapshot ()
	Get number of snapshots. More...
Public Member Functions inherited from Util::Distribution
	Distribution ()
	Default constructor. More...
	Distribution (const Distribution &other)
	Copy constructor. More...
Distribution &	operator= (const Distribution &other)
	Assignment operator. More...
virtual	~Distribution ()
	Destructor. More...
void	setParam (double min, double max, int nBin)
	Set parameters and initialize. More...
template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize this Distribution to/from an archive. More...
void	sample (double value)
	Sample a value. More...
void	output (std::ostream &out)
	Output the distribution to file. More...
int	binIndex (double value) const
	Return the index of the bin for a value. More...
double	min () const
	Get minimum value in range of histogram. More...
double	max () const
	Get maximum value in range of histogram. More...
double	binWidth () const
	Get binWidth, the width of each bin. More...
int	nBin () const
	Get the number of bins. More...
void	reduce (MPI::Intracomm &communicator, int root)
	Reduce (add) distributions from multiple MPI processors. More...
Public Member Functions inherited from Util::ParamComposite
	ParamComposite ()
	Constructor. More...
	ParamComposite (const ParamComposite &other)
	Copy constructor. More...
	ParamComposite (int capacity)
	Constructor. More...
virtual	~ParamComposite ()
	Virtual destructor. More...
void	resetParam ()
	Resets ParamComposite to its empty state. More...
virtual void	readParam (std::istream &in)
	Read the parameter file block. More...
virtual void	readParamOptional (std::istream &in)
	Read optional parameter file block. More...
virtual void	writeParam (std::ostream &out)
	Write all parameters to an output stream. More...
virtual void	load (Serializable::IArchive &ar)
	Load all parameters from an input archive. More...
virtual void	loadOptional (Serializable::IArchive &ar)
	Load an optional ParamComposite. More...
void	saveOptional (Serializable::OArchive &ar)
	Saves isActive flag, and then calls save() iff isActive is true. More...
void	readParamComposite (std::istream &in, ParamComposite &child, bool next=true)
	Add and read a required child ParamComposite. More...
void	readParamCompositeOptional (std::istream &in, ParamComposite &child, bool next=true)
	Add and attempt to read an optional child ParamComposite. More...
template<typename Type >
ScalarParam< Type > &	read (std::istream &in, const char *label, Type &value)
	Add and read a new required ScalarParam < Type > object. More...
template<typename Type >
ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object. More...
template<typename Type >
CArrayParam< Type > &	readCArray (std::istream &in, const char *label, Type *value, int n)
	Add and read a required C array parameter. More...
template<typename Type >
CArrayParam< Type > &	readOptionalCArray (std::istream &in, const char *label, Type *value, int n)
	Add and read an optional C array parameter. More...
template<typename Type >
DArrayParam< Type > &	readDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
	Add and read a required DArray < Type > parameter. More...
template<typename Type >
DArrayParam< Type > &	readOptionalDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
	Add and read an optional DArray < Type > parameter. More...
template<typename Type , int N>
FArrayParam< Type, N > &	readFArray (std::istream &in, const char *label, FArray< Type, N > &array)
	Add and read a required FArray < Type, N > array parameter. More...
template<typename Type , int N>
FArrayParam< Type, N > &	readOptionalFArray (std::istream &in, const char *label, FArray< Type, N > &array)
	Add and read an optional FArray < Type, N > array parameter. More...
template<typename Type >
CArray2DParam< Type > &	readCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np)
	Add and read a required CArray2DParam < Type > 2D C-array. More...
template<typename Type >
CArray2DParam< Type > &	readOptionalCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np)
	Add and read an optional CArray2DParam < Type > 2D C-array parameter. More...
template<typename Type >
DMatrixParam< Type > &	readDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and read a required DMatrix < Type > matrix parameter. More...
template<typename Type >
DMatrixParam< Type > &	readOptionalDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and read an optional DMatrix < Type > matrix parameter. More...
template<typename Type >
DSymmMatrixParam< Type > &	readDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
	Add and read a required symmetrix DMatrix. More...
template<typename Type >
DSymmMatrixParam< Type > &	readOptionalDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
	Add and read an optional DMatrix matrix parameter. More...
Begin &	readBegin (std::istream &in, const char *label, bool isRequired=true)
	Add and read a class label and opening bracket. More...
End &	readEnd (std::istream &in)
	Add and read the closing bracket. More...
Blank &	readBlank (std::istream &in)
	Add and read a new Blank object, representing a blank line. More...
void	loadParamComposite (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
	Add and load a required child ParamComposite. More...
void	loadParamCompositeOptional (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
	Add and load an optional child ParamComposite if isActive. More...
template<typename Type >
ScalarParam< Type > &	loadParameter (Serializable::IArchive &ar, const char *label, Type &value, bool isRequired)
	Add and load a new ScalarParam < Type > object. More...
template<typename Type >
ScalarParam< Type > &	loadParameter (Serializable::IArchive &ar, const char *label, Type &value)
	Add and load new required ScalarParam < Type > object. More...
template<typename Type >
CArrayParam< Type > &	loadCArray (Serializable::IArchive &ar, const char *label, Type *value, int n, bool isRequired)
	Add a C array parameter and load its elements. More...
template<typename Type >
CArrayParam< Type > &	loadCArray (Serializable::IArchive &ar, const char *label, Type *value, int n)
	Add and load a required CArrayParam< Type > array parameter. More...
template<typename Type >
DArrayParam< Type > &	loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n, bool isRequired)
	Add an load a DArray < Type > array parameter. More...
template<typename Type >
DArrayParam< Type > &	loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n)
	Add and load a required DArray< Type > array parameter. More...
template<typename Type , int N>
FArrayParam< Type, N > &	loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array, bool isRequired)
	Add and load an FArray < Type, N > fixed-size array parameter. More...
template<typename Type , int N>
FArrayParam< Type, N > &	loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array)
	Add and load a required FArray < Type > array parameter. More...
template<typename Type >
CArray2DParam< Type > &	loadCArray2D (Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np, bool isRequired)
	Add and load a CArray2DParam < Type > C 2D array parameter. More...
template<typename Type >
CArray2DParam< Type > &	loadCArray2D (Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np)
	Add and load a required < Type > matrix parameter. More...
template<typename Type >
DMatrixParam< Type > &	loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired)
	Add and load a DMatrixParam < Type > matrix parameter. More...
template<typename Type >
DMatrixParam< Type > &	loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and load a required DMatrixParam < Type > matrix parameter. More...
template<typename Type >
DSymmMatrixParam< Type > &	loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n, bool isRequired)
	Add and load a symmetric DSymmMatrixParam < Type > matrix parameter. More...
template<typename Type >
DSymmMatrixParam< Type > &	loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n)
	Add and load a required DSymmMatrixParam < Type > matrix parameter. More...
void	addParamComposite (ParamComposite &child, bool next=true)
	Add a child ParamComposite object to the format array. More...
Begin &	addBegin (const char *label)
	Add a Begin object representing a class name and bracket. More...
End &	addEnd ()
	Add a closing bracket. More...
Blank &	addBlank ()
	Create and add a new Blank object, representing a blank line. More...
std::string	className () const
	Get class name string. More...
bool	isRequired () const
	Is this ParamComposite required in the input file? More...
bool	isActive () const
	Is this parameter active? More...
Public Member Functions inherited from Util::ParamComponent
virtual	~ParamComponent ()
	Destructor. More...
void	setIndent (const ParamComponent &parent, bool next=true)
	Set indent level. More...
std::string	indent () const
	Return indent string for this object (string of spaces). More...
template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize this ParamComponent as a string. More...
Public Member Functions inherited from Util::Serializable
virtual	~Serializable ()
	Destructor. More...
Public Member Functions inherited from Util::MpiFileIo
	MpiFileIo ()
	Constructor. More...
	MpiFileIo (const MpiFileIo &other)
	Copy constructor. More...
bool	isIoProcessor () const
	Can this processor do file I/O ? More...
void	setIoCommunicator (MPI::Intracomm &communicator)
	Set the communicator. More...
void	clearCommunicator ()
	Clear (nullify) the communicator. More...
bool	hasIoCommunicator () const
	Does this object have an associated MPI communicator? More...
MPI::Intracomm &	ioCommunicator () const
	Get the MPI communicator by reference. More...

Additional Inherited Members
Public Types inherited from Util::Serializable
typedef BinaryFileOArchive	OArchive
	Type of output archive used by save method. More...
typedef BinaryFileIArchive	IArchive
	Type of input archive used by load method. More...
Static Public Member Functions inherited from Util::ParamComponent
static void	initStatic ()
	Initialize static echo member to false. More...
static void	setEcho (bool echo=true)
	Enable or disable echoing for all subclasses of ParamComponent. More...
static bool	echo ()
	Get echo parameter. More...
Protected Member Functions inherited from Util::ParamComposite
void	setClassName (const char *className)
	Set class name string. More...
void	setIsRequired (bool isRequired)
	Set or unset the isActive flag. More...
void	setIsActive (bool isActive)
	Set or unset the isActive flag. More...
void	setParent (ParamComponent &param, bool next=true)
	Set this to the parent of a child component. More...
void	addComponent (ParamComponent &param, bool isLeaf=true)
	Add a new ParamComponent object to the format array. More...
template<typename Type >
ScalarParam< Type > &	add (std::istream &in, const char *label, Type &value, bool isRequired=true)
	Add a new required ScalarParam < Type > object. More...
template<typename Type >
CArrayParam< Type > &	addCArray (std::istream &in, const char *label, Type *value, int n, bool isRequired=true)
	Add (but do not read) a required C array parameter. More...
template<typename Type >
DArrayParam< Type > &	addDArray (std::istream &in, const char *label, DArray< Type > &array, int n, bool isRequired=true)
	Add (but do not read) a DArray < Type > parameter. More...
template<typename Type , int N>
FArrayParam< Type, N > &	addFArray (std::istream &in, const char *label, FArray< Type, N > &array, bool isRequired=true)
	Add (but do not read) a FArray < Type, N > array parameter. More...
template<typename Type >
CArray2DParam< Type > &	addCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np, bool isRequired=true)
	Add (but do not read) a CArray2DParam < Type > 2D C-array. More...
template<typename Type >
DMatrixParam< Type > &	addDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired=true)
	Add and read a required DMatrix < Type > matrix parameter. More...
Protected Member Functions inherited from Util::ParamComponent
	ParamComponent ()
	Constructor. More...
	ParamComponent (const ParamComponent &other)
	Copy constructor. More...
Protected Attributes inherited from Util::Distribution
DArray< long >	histogram_
	Histogram of occurences, one element per bin. More...
double	min_
	minimum value. More...
double	max_
	maximum value. More...
double	binWidth_
	width of bin = (max_-min_)/nBin_ . More...
int	nBin_
	number of bins. More...
int	nSample_
	Number of sampled values in Histogram. More...
int	nReject_
	Number of sampled values that were out of range. More...

Constructor & Destructor Documentation

Util::RadialDistribution::RadialDistribution

(

)

Default constructor.

Definition at line 19 of file RadialDistribution.cpp.

References Util::ParamComposite::setClassName().

Util::RadialDistribution::RadialDistribution

(

const RadialDistribution &

other

)

Copy constructor.

Parameters

other

object to be copied.

Definition at line 29 of file RadialDistribution.cpp.

Member Function Documentation

RadialDistribution & Util::RadialDistribution::operator=

(

const RadialDistribution &

other

)

Assignment.

Parameters

other

object to be assigned.

Definition at line 40 of file RadialDistribution.cpp.

References Util::Distribution::operator=().

void Util::RadialDistribution::readParameters ( std::istream &  in )

virtual

Read values of min, max, and nBin from file.

Parameters

in	input parameter file stream.

Reimplemented from Util::Distribution.

Definition at line 55 of file RadialDistribution.cpp.

References Util::DArray< Data >::allocate(), Util::Distribution::binWidth_, clear(), Util::Distribution::histogram_, Util::Distribution::max_, Util::Distribution::min_, and Util::Distribution::nBin_.

void Util::RadialDistribution::setParam	(	double	max,
		int	nBin
	)

Set parameters and initialize.

Parameters

max	upper bound of range
nBin	number of bins in range [min, max]

Definition at line 68 of file RadialDistribution.cpp.

References Util::DArray< Data >::allocate(), Util::Distribution::binWidth_, clear(), Util::Distribution::histogram_, Util::Distribution::max(), Util::Distribution::max_, Util::Distribution::min_, Util::Distribution::nBin(), and Util::Distribution::nBin_.

Referenced by McMd::RDF::readParameters().

void Util::RadialDistribution::loadParameters ( Serializable::IArchive &  ar )

virtual

Load internal state from an archive.

Parameters

ar	input/loading archive

Reimplemented from Util::Distribution.

Definition at line 81 of file RadialDistribution.cpp.

References Util::Distribution::binWidth_, Util::feq(), Util::Distribution::histogram_, Util::Distribution::max_, Util::Distribution::min_, Util::Distribution::nBin_, Util::Distribution::nReject_, Util::Distribution::nSample_, and UTIL_THROW.

void Util::RadialDistribution::save ( Serializable::OArchive &  ar )

virtual

Save internal state to an archive.

Parameters

ar	output/saving archive

Reimplemented from Util::Distribution.

Definition at line 104 of file RadialDistribution.cpp.

template<class Archive >

void Util::RadialDistribution::serialize	(	Archive &	ar,
		const unsigned int	version
	)

Serialize this RadialDistribution to/from an archive.

Parameters

ar	input or output archive
version	file version id

Definition at line 160 of file RadialDistribution.h.

References Util::Distribution::serialize().

void Util::RadialDistribution::clear ( )

virtual

Clear all accumulators.

Reimplemented from Util::Distribution.

Definition at line 110 of file RadialDistribution.cpp.

References Util::Distribution::clear().

Referenced by readParameters(), setParam(), and McMd::RDF::setup().

void Util::RadialDistribution::beginSnapshot

(

)

Mark the beginning of a "snapshot" (i.e., a sampled time step).

Definition at line 125 of file RadialDistribution.cpp.

Referenced by McMd::RDF::sample().

void Util::RadialDistribution::setNorm

(

double

norm

)

Set the factor used to normalize the RDF before output.

Parameters

norm	normalizing factor

Definition at line 119 of file RadialDistribution.cpp.

Referenced by McMd::RDF::output().

void Util::RadialDistribution::setOutputIntegral

(

bool

outputIntegral

)

Set true to enable output of spatial integral of g(r).

Parameters

outputIntegral

true to enable output of integral.

Definition at line 131 of file RadialDistribution.cpp.

Referenced by McMd::RDF::output().

void Util::RadialDistribution::output

(

std::ostream &

out

)

Output the distribution to file.

Parameters

out	pointer to output file

Definition at line 137 of file RadialDistribution.cpp.

References Util::Distribution::binWidth_, Util::Distribution::histogram_, and Util::Distribution::nBin_.

Referenced by McMd::RDF::output().

long Util::RadialDistribution::nSnapshot ( )

inline

Get number of snapshots.

Definition at line 153 of file RadialDistribution.h.

Referenced by McMd::RDF::output().

---

The documentation for this class was generated from the following files:

• RadialDistribution.h
• RadialDistribution.cpp