class to generate histograms More...

#include <histogramnew.h>

Collaboration diagram for votca::tools::HistogramNew:

[legend]

Public Member Functions
void	Initialize (double min, double max, Index nbins)
	Initialize the HistogramNew.

void	Process (const double &v, double scale=1.0)
	process a data point

template<typename iterator_type >
void	ProcessRange (const iterator_type &begin, const iterator_type &end)
	process a range of data using iterator interface

double	getMin () const
	get the lower bound of the histogram intervaö

double	getMax () const
	get the upper bound of the histogram intervaö

Index	getNBins () const
	Get number of grid points.

double	getMinBinVal () const
	Get the count of the bin with the fewest counts.

double	getMaxBinVal () const
	Get the count of the bin with the maximum counts.

std::pair< double, double >	getInterval (Index bin) const
	Given the bin number get the Inverval bounds.

double	getStep () const
	get the grid of histogram

void	Normalize ()
	normalize the histogram that the integral is 1

void	Clear ()
	clear all data

Table &	data ()
	get access to content of histogram

const Table &	data () const

void	setPeriodic (bool periodic)
	set whether interval is periodic

Private Member Functions
void	Initialize_ ()

Private Attributes
double	min_ = 0

double	max_ = 0

double	step_ = 0

bool	periodic_ = false

Index	nbins_ = 100

Table	data_

Detailed Description

class to generate histograms

This class produces a bin centered histogram out of a vector of values. The min and max values that are provided with the initialization function will place bins at those positions. For example if I want to create a histogram for 0 to 5 with bins centered at 0 and 5, I could do:

HistogramNew hn;
double min_value = 0.0;
double max_value = 5.0;
Index number_bins  = 6;
hn.Initialize(min_value, max_value, number_bins);

This would produce a histogram with bins centered at the positions shown. below. The upper and lower bounds for each bin are also shown:

Bin: 1 2 3 4 5 6 Pos: 0.0 1.0 2.0 3.0 4.0 5.0 Upper Bound: 0.5 1.5 2.5 3.5 4.5 5.5 Lower Bound:-0.5 0.5 1.5 2.5 3.5 4.5

Step Size: 1.0

You also have the option to change the histogram to a periodic bin centered histogram by setting the periodic value to true;

hn.setPeriodic(true);

This has the effect of rearranging the step size. The new histogram would look like this:

Bin: 1 2 3 4 5 6 1 Pos: 0.000 0.833 1.667 2.500 3.333 4.167 5.000 Upper Bound: 0.416 1.249 2.082 2.910 3.750 4.580 0.416 Upper Bound: 4.580 0.416 1.249 2.082 2.910 3.750 4.580

Step Size: 0.833

Note that the bin in position 1 cycles back after bin 6 and that the step size is smaller this is a result of maintaining the same number of bins to be clear bin 1 is responsible for any values that fall between

0.00 - 0.416 and 4.580 - 5.00

Definition at line 77 of file histogramnew.h.

Member Function Documentation

◆ Clear()

void votca::tools::HistogramNew::Clear ( )

clear all data

Definition at line 91 of file histogramnew.cc.

◆ data() [1/2]

Table & votca::tools::HistogramNew::data ( )

inline

get access to content of histogram

Returns: table object with bins in x and values in y

Definition at line 157 of file histogramnew.h.

◆ data() [2/2]

const Table & votca::tools::HistogramNew::data ( ) const

inline

Definition at line 158 of file histogramnew.h.

◆ getInterval()

pair< double, double > votca::tools::HistogramNew::getInterval ( Index bin ) const

Given the bin number get the Inverval bounds.

Parameters

[in] bin - pass in the index of the bin

Returns: pair with upper and lower bounds of the interval of the bin

Definition at line 76 of file histogramnew.cc.

◆ getMax()

double votca::tools::HistogramNew::getMax ( ) const

inline

get the upper bound of the histogram intervaö

Returns: upper limit of interval

Definition at line 111 of file histogramnew.h.

◆ getMaxBinVal()

double votca::tools::HistogramNew::getMaxBinVal ( ) const

Get the count of the bin with the maximum counts.

Returns: maximum counts

Definition at line 74 of file histogramnew.cc.

◆ getMin()

double votca::tools::HistogramNew::getMin ( ) const

inline

get the lower bound of the histogram intervaö

Returns: lower limit of interval

Definition at line 105 of file histogramnew.h.

◆ getMinBinVal()

double votca::tools::HistogramNew::getMinBinVal ( ) const

Get the count of the bin with the fewest counts.

Returns: minimum counts

Definition at line 72 of file histogramnew.cc.

◆ getNBins()

Index votca::tools::HistogramNew::getNBins ( ) const

inline

Get number of grid points.

Returns: number of grid poitns

Definition at line 117 of file histogramnew.h.

◆ getStep()

double votca::tools::HistogramNew::getStep ( ) const

inline

get the grid of histogram

Returns: step per bin

Definition at line 141 of file histogramnew.h.

◆ Initialize()

void votca::tools::HistogramNew::Initialize	(	double	min,
		double	max,
		Index	nbins )

Initialize the HistogramNew.

Parameters

min	lower bound of interval
max	upper bound of interval
nbins	number of bins

Definition at line 48 of file histogramnew.cc.

◆ Initialize_()

void votca::tools::HistogramNew::Initialize_ ( )

private

Definition at line 28 of file histogramnew.cc.

◆ Normalize()

void votca::tools::HistogramNew::Normalize ( )

normalize the histogram that the integral is 1

Definition at line 84 of file histogramnew.cc.

◆ Process()

void votca::tools::HistogramNew::Process	(	const double &	v,
		double	scale = 1.0 )

process a data point

Parameters

v	value of this point
scale	weighting of this point, bin of v is increased by scale instead of 1

Definition at line 55 of file histogramnew.cc.

◆ ProcessRange()

template<typename iterator_type >

void votca::tools::HistogramNew::ProcessRange	(	const iterator_type &	begin,
		const iterator_type &	end )

inline

process a range of data using iterator interface

Definition at line 182 of file histogramnew.h.

◆ setPeriodic()

void votca::tools::HistogramNew::setPeriodic ( bool periodic )

inline

set whether interval is periodic

Parameters

periodic is periodic

Definition at line 164 of file histogramnew.h.

Member Data Documentation

◆ data_

Table votca::tools::HistogramNew::data_

private

Definition at line 173 of file histogramnew.h.

◆ max_

double votca::tools::HistogramNew::max_ = 0

private

Definition at line 169 of file histogramnew.h.

◆ min_

double votca::tools::HistogramNew::min_ = 0

private

Definition at line 168 of file histogramnew.h.

◆ nbins_

Index votca::tools::HistogramNew::nbins_ = 100

private

Definition at line 172 of file histogramnew.h.

◆ periodic_

bool votca::tools::HistogramNew::periodic_ = false

private

Definition at line 171 of file histogramnew.h.

◆ step_

double votca::tools::HistogramNew::step_ = 0

private

Definition at line 170 of file histogramnew.h.

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

tools/include/votca/tools/histogramnew.h
tools/src/libtools/histogramnew.cc

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Member Function Documentation

◆ Clear()

◆ data() [1/2]

◆ data() [2/2]

◆ getInterval()

◆ getMax()

◆ getMaxBinVal()

◆ getMin()

◆ getMinBinVal()

◆ getNBins()

◆ getStep()

◆ Initialize()

◆ Initialize_()

◆ Normalize()

◆ Process()

◆ ProcessRange()

◆ setPeriodic()

Member Data Documentation

◆ data_

◆ max_

◆ min_

◆ nbins_

◆ periodic_

◆ step_