autopas::utils::ParticleBinStructure Class Reference

Particle-counting bin structure. More...

#include <ParticleBinStructure.h>

Public Member Functions
	ParticleBinStructure (std::array< size_t, 3 > numBinsPerDim, std::array< double, 3 > binLength, std::array< double, 3 > boxMin, std::array< double, 3 > boxMax, double cutoff)
	Constructor, that takes 3D array of the number of bins in each dimension and the dimensions of each bin, and resizes space in the particle count structure as well as setting other relevant statistics.
	ParticleBinStructure (size_t numBinsPerDim, std::array< double, 3 > binLength, std::array< double, 3 > boxMin, std::array< double, 3 > boxMax, double cutoff)
	Constructor, for if there are the same number of bins in each dimension.
void	countParticle (const std::array< double, 3 > &particlePosition)
	Determines the appropriate bin for the particle based on its position, and increments the corresponding bin counter to reflect one more particle in that bin.
void	calculateStatistics ()
	Calculates the following statistics:
void	resetCounters ()
	Resets all counters to zero.
const size_t &	getTotalParticleCount () const
	Getter for the total number of particles counted.
const std::vector< size_t > &	getParticleCounts () const
	Getter for the particle counts.
const std::array< std::size_t, 3 > &	getNumBinsPerDim () const
	Getter for the number of bins per dimension.
void	setCellsPerDim (const std::array< std::size_t, 3 > &numBinsPerDim)
	Setter for the number of bins per dimension.
const std::array< double, 3 > &	getBinLength () const
	Getter for the dimensions of each bin.
const std::array< double, 3 > &	getBinLengthReciprocal () const
	Getter for the reciprocal of the dimensions of each bin.
void	setBinLength (const std::array< double, 3 > &binLength)
	Setter for the dimension of each bin.
const std::array< double, 3 > &	getBoxMin () const
	Getter for the box min.
void	setBoxMin (const std::array< double, 3 > &boxMin)
	Setter for the box min.
const std::array< double, 3 > &	getBoxMax () const
	Getter for the box max.
void	setBoxMax (const std::array< double, 3 > &boxMax)
	Setter for the box max.
std::size_t	getNumberOfBins () const
	Getter for the number of bins.
void	resize ()
	Resizes the particle count structure.
double	getBinVolume () const
	Getter for the volume of each bin.
double	getMeanParticlesPerBin () const
	Returns the mean number of particles per bins.
double	getStdDevParticlesPerBin () const
	Returns the standard deviation of the number of particles per bins.
double	getRelStdDevParticlesPerBin () const
	Returns the standard deviation of the number of particles per bins relative to the mean.
double	getMeanDensity () const
	Returns the mean density of particles per bins.
double	getStdDevDensity () const
	Returns the standard deviation of the density per bins.
double	getMaxDensity () const
	Returns the maximum density of any bin.
size_t	getMaxParticlesPerBin () const
	Returns the maximum number of particles in a single bin.
size_t	getMinParticlesPerBin () const
	Returns the minimum number of particles in a single bin.
size_t	getMedianParticlesPerBin () const
	Returns the median number of particles across all bins.
size_t	getLowerQuartileParticlesPerBin () const
	Returns the lower quartile (25th percentile) number of particles across all bins.
size_t	getUpperQuartileParticlesPerBin () const
	Returns the upper quartile (75th percentile) number of particles across all bins.
size_t	getNumEmptyBins () const
	Returns the number of empty bins.
double	getEstimatedNumberOfNeighborInteractions () const
	Returns the estimated number of neighbor interactions across all bins.

Detailed Description

Particle-counting bin structure.

Stores all relevant information about the bins and a counter per bin. Provides a particle counting function and can return statistics based on the particle count. Assumes all bins are of the same shape.

Expected use order: 1) Constructed 2) Particles counted 3) Statistics calculated 4) Statistics can be extracted from getters

A flag ensures (4) cannot be done before (3) and that if particles are added to the count after (3), (3) must be called again before (4).

The purpose of this is to calculate all statistics together because it is rather trivial and efficient but provides getters for individual statistics in case some are not desired.

Constructor & Destructor Documentation

ParticleBinStructure() [1/2]

autopas::utils::ParticleBinStructure::ParticleBinStructure	(	std::array< size_t, 3 >	numBinsPerDim,
		std::array< double, 3 >	binLength,
		std::array< double, 3 >	boxMin,
		std::array< double, 3 >	boxMax,
		double	cutoff
	)

Constructor, that takes 3D array of the number of bins in each dimension and the dimensions of each bin, and resizes space in the particle count structure as well as setting other relevant statistics.

Parameters

numBinsPerDim	Number of bins per dimension.
binLength	Dimensions of each bin.
boxMin	Lower left corner of region considered for particle binning.
boxMax	Upper right corner of region considered for particle binning.
cutoff	Not needed for particle counting, but needed for estimatedNumberOfNeighborInteractions statistic.

ParticleBinStructure() [2/2]

autopas::utils::ParticleBinStructure::ParticleBinStructure ( size_t  numBinsPerDim, std::array< double, 3 >  binLength, std::array< double, 3 >  boxMin, std::array< double, 3 >  boxMax, double  cutoff  )

inline

Constructor, for if there are the same number of bins in each dimension.

Takes a number of bins and the dimensions of each bin, and resizes space in the particle count structure as well as setting other relevant statistics.

Parameters

numBinsPerDim	Number of bins per dimension
binLength	Dimensions of each bin.
boxMin	Lower left corner of region considered for particle binning.
boxMax	Upper right corner of region considered for particle binning.
cutoff	Not needed for particle counting, but needed for estimatedNumberOfNeighborInteractions statistic.

Member Function Documentation

calculateStatistics()

void autopas::utils::ParticleBinStructure::calculateStatistics

(

)

Calculates the following statistics:

• Mean number of particles per bin
• Standard deviation in number of particles per bin
• Standard deviation in number of particles per bin relative to the mean.
• Maximum number of particles per bin
• Minimum number of particles per bin
• Median number of particles per bin
• Lower quartile number of particles per bin
• Upper quartile number of particles per bin
• Number of bins that are empty
• Estimated number of neighbor interactions

countParticle()

void autopas::utils::ParticleBinStructure::countParticle

(

const std::array< double, 3 > &

particlePosition

)

Determines the appropriate bin for the particle based on its position, and increments the corresponding bin counter to reflect one more particle in that bin.

Parameters

particlePosition

getBinLength()

const std::array< double, 3 > & autopas::utils::ParticleBinStructure::getBinLength

(

)

const

Getter for the dimensions of each bin.

Returns

getBinLengthReciprocal()

const std::array< double, 3 > & autopas::utils::ParticleBinStructure::getBinLengthReciprocal

(

)

const

Getter for the reciprocal of the dimensions of each bin.

Returns

getBinVolume()

double autopas::utils::ParticleBinStructure::getBinVolume

(

)

const

Getter for the volume of each bin.

Returns

getBoxMax()

const std::array< double, 3 > & autopas::utils::ParticleBinStructure::getBoxMax

(

)

const

Getter for the box max.

Returns

getBoxMin()

const std::array< double, 3 > & autopas::utils::ParticleBinStructure::getBoxMin

(

)

const

Getter for the box min.

Returns

getEstimatedNumberOfNeighborInteractions()

double autopas::utils::ParticleBinStructure::getEstimatedNumberOfNeighborInteractions

(

)

const

Returns the estimated number of neighbor interactions across all bins.

This takes the assumption that particles are evenly distributed within a bin and that this even distribution extends into neighboring bins and that newton3 isn't used. Logs a warning if statistics have not been calculated yet.

Returns

The estimated number of neighbor interactions.

getLowerQuartileParticlesPerBin()

size_t autopas::utils::ParticleBinStructure::getLowerQuartileParticlesPerBin

(

)

const

Returns the lower quartile (25th percentile) number of particles across all bins.

Logs a warning if statistics have not been calculated yet.

Returns

The lower quartile of the number of particles per bin.

getMaxDensity()

double autopas::utils::ParticleBinStructure::getMaxDensity

(

)

const

Returns the maximum density of any bin.

Returns

getMaxParticlesPerBin()

size_t autopas::utils::ParticleBinStructure::getMaxParticlesPerBin

(

)

const

Returns the maximum number of particles in a single bin.

Logs a warning if statistics have not been calculated yet.

Returns

The maximum number of particles in any bin.

getMeanDensity()

double autopas::utils::ParticleBinStructure::getMeanDensity

(

)

const

Returns the mean density of particles per bins.

Logs a warning if statistics have not been calculated yet.

Returns

The mean density of particles.

getMeanParticlesPerBin()

double autopas::utils::ParticleBinStructure::getMeanParticlesPerBin

(

)

const

Returns the mean number of particles per bins.

Logs a warning if statistics have not been calculated yet.

Returns

The mean number of particles per bin.

getMedianParticlesPerBin()

size_t autopas::utils::ParticleBinStructure::getMedianParticlesPerBin

(

)

const

Returns the median number of particles across all bins.

Logs a warning if statistics have not been calculated yet.

Returns

The median number of particles per bin.

getMinParticlesPerBin()

size_t autopas::utils::ParticleBinStructure::getMinParticlesPerBin

(

)

const

Returns the minimum number of particles in a single bin.

Logs a warning if statistics have not been calculated yet.

Returns

The minimum number of particles in any bin.

getNumberOfBins()

std::size_t autopas::utils::ParticleBinStructure::getNumberOfBins

(

)

const

Getter for the number of bins.

Returns

getNumBinsPerDim()

const std::array< std::size_t, 3 > & autopas::utils::ParticleBinStructure::getNumBinsPerDim

(

)

const

Getter for the number of bins per dimension.

Returns

getNumEmptyBins()

size_t autopas::utils::ParticleBinStructure::getNumEmptyBins

(

)

const

Returns the number of empty bins.

Logs a warning if statistics have not been calculated yet.

Returns

The empty bin ratio.

getParticleCounts()

const std::vector< size_t > & autopas::utils::ParticleBinStructure::getParticleCounts

(

)

const

Getter for the particle counts.

Returns

getRelStdDevParticlesPerBin()

double autopas::utils::ParticleBinStructure::getRelStdDevParticlesPerBin

(

)

const

Returns the standard deviation of the number of particles per bins relative to the mean.

Logs a warning if statistics have not been calculated yet.

Returns

The relative standard deviation of the number of particles per bin.

getStdDevDensity()

double autopas::utils::ParticleBinStructure::getStdDevDensity

(

)

const

Returns the standard deviation of the density per bins.

Logs a warning if statistics have not been calculated yet.

Returns

The standard deviation of densities.

getStdDevParticlesPerBin()

double autopas::utils::ParticleBinStructure::getStdDevParticlesPerBin

(

)

const

Returns the standard deviation of the number of particles per bins.

Logs a warning if statistics have not been calculated yet.

Returns

The standard deviation of the number of particles per bin.

getTotalParticleCount()

const size_t & autopas::utils::ParticleBinStructure::getTotalParticleCount

(

)

const

Getter for the total number of particles counted.

Returns

getUpperQuartileParticlesPerBin()

size_t autopas::utils::ParticleBinStructure::getUpperQuartileParticlesPerBin

(

)

const

Returns the upper quartile (75th percentile) number of particles across all bins.

Logs a warning if statistics have not been calculated yet.

Returns

The upper quartile of the number of particles per bin.

setBinLength()

void autopas::utils::ParticleBinStructure::setBinLength

(

const std::array< double, 3 > &

binLength

)

Setter for the dimension of each bin.

Also sets the reciprocal of these lengths.

Parameters

binLength

setBoxMax()

void autopas::utils::ParticleBinStructure::setBoxMax

(

const std::array< double, 3 > &

boxMax

)

Setter for the box max.

Parameters

boxMax

setBoxMin()

void autopas::utils::ParticleBinStructure::setBoxMin

(

const std::array< double, 3 > &

boxMin

)

Setter for the box min.

Parameters

boxMin

setCellsPerDim()

void autopas::utils::ParticleBinStructure::setCellsPerDim

(

const std::array< std::size_t, 3 > &

numBinsPerDim

)

Setter for the number of bins per dimension.

Parameters

numBinsPerDim

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

• autopas/utils/ParticleBinStructure.h
• autopas/utils/ParticleBinStructure.cpp