#include <HistogramBead.h>
Public Member Functions | |
HistogramBead () | |
double | calculate (double x, double &df) const |
double | calculateWithCutoff (double x, double &df) const |
std::string | description () const |
double | getbigb () const |
double | getCutoff () const |
double | getlowb () const |
bool | hasBeenSet () const |
void | isNotPeriodic () |
void | isPeriodic (const double &mlow, const double &mhigh) |
double | lboundDerivative (const double &x) const |
void | set (const std::string ¶ms, std::string &errormsg) |
void | set (double l, double h, double w) |
void | setKernelType (const std::string &ktype) |
double | uboundDerivative (const double &x) const |
Static Public Member Functions | |
static void | generateBins (const std::string ¶ms, std::vector< std::string > &bins) |
static void | registerKeywords (Keywords &keys) |
Private Types | |
enum | { gaussian, triangular } |
enum | { unset, periodic, notperiodic } |
Private Member Functions | |
double | difference (const double &d1, const double &d2) const |
Private Attributes | |
double | cutoff |
double | highb |
bool | init |
double | inv_max_minus_min |
double | lowb |
double | max |
double | max_minus_min |
double | min |
enum PLMD::HistogramBead:: { ... } | periodicity |
enum PLMD::HistogramBead:: { ... } | type |
double | width |
A class for calculating whether or not values are within a given range using : \( \sum_i \int_a^b G( s_i, \sigma*(b-a) ) \)
PLMD::HistogramBead::HistogramBead | ( | ) |
double PLMD::HistogramBead::calculate | ( | double | x, |
double & | df | ||
) | const |
double PLMD::HistogramBead::calculateWithCutoff | ( | double | x, |
double & | df | ||
) | const |
std::string PLMD::HistogramBead::description | ( | ) | const |
|
inlineprivate |
|
static |
|
inline |
|
inline |
|
inline |
|
inline |
|
inline |
|
inline |
double PLMD::HistogramBead::lboundDerivative | ( | const double & | x | ) | const |
|
static |
void PLMD::HistogramBead::set | ( | const std::string & | params, |
std::string & | errormsg | ||
) |
void PLMD::HistogramBead::set | ( | double | l, |
double | h, | ||
double | w | ||
) |
void PLMD::HistogramBead::setKernelType | ( | const std::string & | ktype | ) |
double PLMD::HistogramBead::uboundDerivative | ( | const double & | x | ) | const |
|
private |
|
private |
|
private |
|
private |
|
private |
|
private |
|
private |
|
private |
enum { ... } PLMD::HistogramBead::periodicity |
enum { ... } PLMD::HistogramBead::type |
|
private |
Hosted by GitHub | 1.8.17 |