PLMD::KernelFunctions Class Reference

#include <KernelFunctions.h>

Public Member Functions
	KernelFunctions (const std::string &input, const bool &normed)
	KernelFunctions (const std::vector< double > &at, const std::vector< double > &sig, const std::string &type, const bool multivariate, const double &w, const bool norm)
unsigned	ndim () const
	Get the dimensionality of the kernel. More...
std::vector< double >	getCenter () const
	Get the position of the center. More...
std::vector< unsigned >	getSupport (const std::vector< double > &dx) const
	Get the support. More...
std::vector< double >	getContinuousSupport () const
	get it in continuous form More...
double	evaluate (const std::vector< Value * > &pos, std::vector< double > &derivatives, bool usederiv=true, bool doInt=false, double lowI_=-1, double uppI_=-1) const
	Evaluate the kernel function with constant intervals. More...

Static Public Member Functions
static KernelFunctions *	read (IFile *ifile, const std::vector< std::string > &valnames)
	Read a kernel function from a file. More...

Private Types
enum	{ gaussian, uniform, triangular }
	What type of kernel are we using. More...

Private Member Functions
void	setData (const std::vector< double > &at, const std::vector< double > &sig, const std::string &type, const bool multivariate, const double &w, const bool norm)
	Used to set all the data in the kernel during construction - avoids double coding as this has two constructors. More...
Matrix< double >	getMatrix () const
	Convert the width into matrix form. More...
double	getCutoff (const double &width) const
	Get the cutoff for a kernel. More...

Private Attributes
bool	diagonal
	Is the metric matrix diagonal. More...
enum PLMD::KernelFunctions:: { ... }	ktype
	What type of kernel are we using. More...
std::vector< double >	center
	The center of the kernel function. More...
std::vector< double >	width
	The width of the kernel. More...
double	height
	The height of the kernel. More...

Member Enumeration Documentation

anonymous enum

private

What type of kernel are we using.

Enumerator
gaussian
uniform
triangular

Constructor & Destructor Documentation

PLMD::KernelFunctions::KernelFunctions	(	const std::string &	input,
		const bool &	normed
	)

PLMD::KernelFunctions::KernelFunctions	(	const std::vector< double > &	at,
		const std::vector< double > &	sig,
		const std::string &	type,
		const bool	multivariate,
		const double &	w,
		const bool	norm
	)

Member Function Documentation

double PLMD::KernelFunctions::evaluate	(	const std::vector< Value * > &	pos,
		std::vector< double > &	derivatives,
		bool	usederiv = true,
		bool	doInt = false,
		double	lowI_ = -1,
		double	uppI_ = -1
	)		const

Evaluate the kernel function with constant intervals.

std::vector< double > PLMD::KernelFunctions::getCenter ( ) const

inline

Get the position of the center.

std::vector< double > PLMD::KernelFunctions::getContinuousSupport

(

)

const

get it in continuous form

double PLMD::KernelFunctions::getCutoff ( const double &  width ) const

private

Get the cutoff for a kernel.

Matrix< double > PLMD::KernelFunctions::getMatrix ( ) const

inlineprivate

Convert the width into matrix form.

std::vector< unsigned > PLMD::KernelFunctions::getSupport

(

const std::vector< double > &

dx

)

const

Get the support.

unsigned PLMD::KernelFunctions::ndim ( ) const

inline

Get the dimensionality of the kernel.

KernelFunctions * PLMD::KernelFunctions::read ( IFile *  ifile, const std::vector< std::string > &  valnames  )

static

Read a kernel function from a file.

void PLMD::KernelFunctions::setData ( const std::vector< double > &  at, const std::vector< double > &  sig, const std::string &  type, const bool  multivariate, const double &  w, const bool  norm  )

private

Used to set all the data in the kernel during construction - avoids double coding as this has two constructors.

Member Data Documentation

std::vector<double> PLMD::KernelFunctions::center

private

The center of the kernel function.

bool PLMD::KernelFunctions::diagonal

private

Is the metric matrix diagonal.

double PLMD::KernelFunctions::height

private

The height of the kernel.

enum { ... } PLMD::KernelFunctions::ktype

What type of kernel are we using.

std::vector<double> PLMD::KernelFunctions::width

private

The width of the kernel.

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

• tools/KernelFunctions.h
• tools/KernelFunctions.cpp