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, std::string &errormsg)
void	set (double l, double h, double w)
double	calculate (double x, double &df) const
double	calculateWithCutoff (double x, double &df) const
double	lboundDerivative (const double &x) const
double	uboundDerivative (const double &x) const
double	getlowb () const
double	getbigb () const
double	getCutoff () const

Static Public Member Functions
static void	registerKeywords (Keywords &keys)
static void	generateBins (const std::string &params, 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
double	cutoff
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 : \( \sum_i \int_a^b G( s_i, \sigma*(b-a) ) \)

Member Enumeration Documentation

anonymous enum

anonymous enum

private

Enumerator
gaussian
triangular

anonymous enum

anonymous enum

private

Enumerator
unset
periodic
notperiodic

Constructor & Destructor Documentation

HistogramBead()

PLMD::HistogramBead::HistogramBead

(

)

Member Function Documentation

calculate()

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

calculateWithCutoff()

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

description()

std::string PLMD::HistogramBead::description

(

)

const

difference()

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

inlineprivate

generateBins()

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

static

getbigb()

double PLMD::HistogramBead::getbigb ( ) const

inline

getCutoff()

double PLMD::HistogramBead::getCutoff ( ) const

inline

getlowb()

double PLMD::HistogramBead::getlowb ( ) const

inline

hasBeenSet()

bool PLMD::HistogramBead::hasBeenSet ( ) const

inline

isNotPeriodic()

void PLMD::HistogramBead::isNotPeriodic ( )

inline

isPeriodic()

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

inline

lboundDerivative()

double PLMD::HistogramBead::lboundDerivative

(

const double &

x

)

const

registerKeywords()

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

static

set() [1/2]

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

set() [2/2]

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

setKernelType()

void PLMD::HistogramBead::setKernelType

(

const std::string &

ktype

)

uboundDerivative()

double PLMD::HistogramBead::uboundDerivative

(

const double &

x

)

const

Member Data Documentation

cutoff

double PLMD::HistogramBead::cutoff

private

highb

double PLMD::HistogramBead::highb

private

init

bool PLMD::HistogramBead::init

private

inv_max_minus_min

double PLMD::HistogramBead::inv_max_minus_min

private

lowb

double PLMD::HistogramBead::lowb

private

max

double PLMD::HistogramBead::max

private

max_minus_min

double PLMD::HistogramBead::max_minus_min

private

min

double PLMD::HistogramBead::min

private

periodicity

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

type

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

width

double PLMD::HistogramBead::width

private

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

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