PLMD::KernelFunctions Class Reference

#include <KernelFunctions.h>

Public Member Functions
	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) const
	Evaluate the kernel function. 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
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...

Detailed Description

Definition at line 32 of file KernelFunctions.h.

Member Enumeration Documentation

anonymous enum

private

What type of kernel are we using.

Enumerator
gaussian
uniform
triangular

Definition at line 37 of file KernelFunctions.h.

Constructor & Destructor Documentation

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
	)

Definition at line 89 of file KernelFunctions.cpp.

Member Function Documentation

double PLMD::KernelFunctions::evaluate	(	const std::vector< Value * > &	pos,
		std::vector< double > &	derivatives,
		bool	usederiv = true
	)		const

Evaluate the kernel function.

Definition at line 184 of file KernelFunctions.cpp.

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

inline

Get the position of the center.

Definition at line 82 of file KernelFunctions.h.

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

(

)

const

get it in continuous form

Definition at line 153 of file KernelFunctions.cpp.

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

private

Get the cutoff for a kernel.

Definition at line 144 of file KernelFunctions.cpp.

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

inlineprivate

Convert the width into matrix form.

Definition at line 65 of file KernelFunctions.h.

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

(

const std::vector< double > &

dx

)

const

Get the support.

Definition at line 176 of file KernelFunctions.cpp.

unsigned PLMD::KernelFunctions::ndim ( ) const

inline

Get the dimensionality of the kernel.

Definition at line 77 of file KernelFunctions.h.

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

static

Read a kernel function from a file.

Definition at line 236 of file KernelFunctions.cpp.

Member Data Documentation

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

private

The center of the kernel function.

Definition at line 39 of file KernelFunctions.h.

bool PLMD::KernelFunctions::diagonal

private

Is the metric matrix diagonal.

Definition at line 35 of file KernelFunctions.h.

double PLMD::KernelFunctions::height

private

The height of the kernel.

Definition at line 43 of file KernelFunctions.h.

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

What type of kernel are we using.

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

private

The width of the kernel.

Definition at line 41 of file KernelFunctions.h.

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

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