Public Member Functions | Static Public Member Functions | Private Types | Private Member Functions | Private Attributes | List of all members
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

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