PLMD::HistogramBead Class Reference

A class for calculating whether or not values are within a given range using : \( \sum_i \int_a^b G( s_i, \sigma*(b-a) ) \). More...

#include <HistogramBead.h>

Public Member Functions
	HistogramBead ()
std::string	description () const
bool	hasBeenSet () const
void	isNotPeriodic ()
void	isPeriodic (const double &mlow, const double &mhigh)
void	setKernelType (const std::string &ktype)
void	set (const std::string &params, const std::string &dd, std::string &errormsg)
void	set (double l, double h, double w)
double	calculate (double x, double &df) const
double	getlowb () const
double	getbigb () const

Static Public Member Functions
static void	registerKeywords (Keywords &keys)
static void	generateBins (const std::string &params, const std::string &dd, std::vector< std::string > &bins)

Private Types
enum	{ gaussian, triangular }
enum	{ unset, periodic, notperiodic }

Private Member Functions
double	difference (const double &d1, const double &d2) const

Private Attributes
bool	init
double	lowb
double	highb
double	width
enum PLMD::HistogramBead:: { ... }	type
enum PLMD::HistogramBead:: { ... }	periodicity
double	min
double	max
double	max_minus_min
double	inv_max_minus_min

Detailed Description

A class for calculating whether or not values are within a given range using : \( \sum_i \int_a^b G( s_i, \sigma*(b-a) ) \).

Definition at line 41 of file HistogramBead.h.

Constructor & Destructor Documentation

PLMD::HistogramBead::HistogramBead

(

)

Definition at line 93 of file HistogramBead.cpp.

Member Function Documentation

double PLMD::HistogramBead::calculate	(	double	x,
		double &	df
	)		const

Definition at line 171 of file HistogramBead.cpp.

std::string PLMD::HistogramBead::description

(

)

const

Definition at line 107 of file HistogramBead.cpp.

double PLMD::HistogramBead::difference ( const double &  d1, const double &  d2  ) const

inlineprivate

Definition at line 92 of file HistogramBead.h.

void PLMD::HistogramBead::generateBins ( const std::string &  params, const std::string &  dd, std::vector< std::string > &  bins  )

static

Definition at line 113 of file HistogramBead.cpp.

double PLMD::HistogramBead::getbigb ( ) const

inline

Definition at line 89 of file HistogramBead.h.

double PLMD::HistogramBead::getlowb ( ) const

inline

Definition at line 86 of file HistogramBead.h.

bool PLMD::HistogramBead::hasBeenSet ( ) const

inline

Definition at line 68 of file HistogramBead.h.

void PLMD::HistogramBead::isNotPeriodic ( )

inline

Definition at line 73 of file HistogramBead.h.

void PLMD::HistogramBead::isPeriodic ( const double &  mlow, const double &  mhigh  )

inline

Definition at line 78 of file HistogramBead.h.

void PLMD::HistogramBead::registerKeywords ( Keywords &  keys )

static

Definition at line 87 of file HistogramBead.cpp.

void PLMD::HistogramBead::set	(	const std::string &	params,
		const std::string &	dd,
		std::string &	errormsg
	)

Definition at line 140 of file HistogramBead.cpp.

void PLMD::HistogramBead::set	(	double	l,
		double	h,
		double	w
	)

Definition at line 161 of file HistogramBead.cpp.

void PLMD::HistogramBead::setKernelType

(

const std::string &

ktype

)

Definition at line 165 of file HistogramBead.cpp.

Member Data Documentation

double PLMD::HistogramBead::highb

private

Definition at line 45 of file HistogramBead.h.

bool PLMD::HistogramBead::init

private

Definition at line 43 of file HistogramBead.h.

double PLMD::HistogramBead::inv_max_minus_min

private

Definition at line 49 of file HistogramBead.h.

double PLMD::HistogramBead::lowb

private

Definition at line 44 of file HistogramBead.h.

double PLMD::HistogramBead::max

private

Definition at line 49 of file HistogramBead.h.

double PLMD::HistogramBead::max_minus_min

private

Definition at line 49 of file HistogramBead.h.

double PLMD::HistogramBead::min

private

Definition at line 49 of file HistogramBead.h.

enum { ... } PLMD::HistogramBead::periodicity

enum { ... } PLMD::HistogramBead::type

double PLMD::HistogramBead::width

private

Definition at line 46 of file HistogramBead.h.

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

• tools/HistogramBead.h
• tools/HistogramBead.cpp