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Public Member Functions | Static Public Member Functions | Private Types | Private Member Functions | Private Attributes | List of all members
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, bool doInt=false, double lowI_=-1, double uppI_=-1) const
 Evaluate the kernel function with constant intervals. More...
 

Static Public Member Functions

static KernelFunctionsread (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...
 

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::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.

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.


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