Class modeling and analyzer that computes statistics about the state of a nano-scale flow simulation. More...

#include <FlowSimulationAnalyzer.h>

Public Member Functions
	FlowSimulationAnalyzer (ParticleContainer &particles)
	Constructs an uninitialized FlowSimulationAnalyzer.

	FlowSimulationAnalyzer (ParticleContainer &particles, int binNumber, double leftWallPosX, double rightWallPosX, int n_analyzer, const std::string &dirname="statistics", const std::string &basename="MD_csv")
	Creates and initializes a FlowSimulationAnalyzer.

void	initialize (int binNumber, double leftWallPosX, double rightWallPosX, int n_analyzer, const std::string &dirname="statistics", const std::string &basename="MD_csv")
	Initializes the current object with the given parameters.

void	calculateDensitiesAndVelocities ()
	Computes the densities and average velocities of the particles resided in each bin.

void	analyzeFlow (int currentStep)
	The main function that analyzes the simulation.

int	writeToCSV (int fileNumber)
	Writes the gathered information from the density and velocity vectors into the corresponding .csv file as statistics based on the simulation's state.

int	getBinNumber () const
	Gets the bin number of the analyzer.

double	getLeftWallPosX () const
	Gets the X coordinate of the left wall of the simulation.

double	getRightWallPosX () const
	Gets the X coordinate of the right wall of the simulation.

double	getBinSize () const
	Gets the size of the bins used in the computation of statistics.

int	getFrequency () const
	Gets the output frequency.

const std::string &	getDirname () const
	Gets the name of the output directory.

ParticleContainer &	getParticles () const
	Gets a reference to the analyzed ParticleContainer.

const std::vector< double > &	getDensities () const
	Gets the vector containing the number of particles in each bin (const).

const std::vector< double > &	getVelocities () const
	Gets the vector containing the the average velocities of the particles from each bin (const).

Private Attributes
ParticleContainer &	particles
	A reference to the Particle system.

int	binNumber
	The number of bins analyzed.

double	leftWallPosX
	The X coordinate of the left wall of the simulation.

double	rightWallPosX
	The X coordinate of the right wall of the simulation.

double	binSize
	The size of each bin analyzed.

std::vector< double >	densities
	The vector corresponding to the number of particles in each bin.

std::vector< double >	velocities
	The vector corresponding to the average velocity on the y axis of the particles resided in this bin.

int	n_analyzer {1000}
	The number of simulation iterations after which to apply the Analyzer functionality (default: 1000).

std::string	dirname {"statistics"}
	The name of the directory containing the generated .csv files (default: "statistics").

std::string	basename {"MD_csv"}
	The base name of the generated .csv files (default: "MD_csv").

Detailed Description

Class modeling and analyzer that computes statistics about the state of a nano-scale flow simulation.

Constructor & Destructor Documentation

◆ FlowSimulationAnalyzer() [1/2]

FlowSimulationAnalyzer::FlowSimulationAnalyzer ( ParticleContainer & particles )

explicit

Constructs an uninitialized FlowSimulationAnalyzer.

Parameters

particles A reference to the Particle system.

◆ FlowSimulationAnalyzer() [2/2]

FlowSimulationAnalyzer::FlowSimulationAnalyzer	(	ParticleContainer &	particles,
		int	binNumber,
		double	leftWallPosX,
		double	rightWallPosX,
		int	n_analyzer,
		const std::string &	dirname = `"statistics"`,
		const std::string &	basename = `"MD_csv"`
	)

Creates and initializes a FlowSimulationAnalyzer.

Parameters

particles	A reference to the Particle system.
binNumber	The number of bins analyzed.
leftWallPosX	The X coordinate of the left wall of the simulation.
rightWallPosX	The X coordinate of the right wall of the simulation.
n_analyzer	The number of simulation iterations after which to apply the analyzer functionality.
dirname	The name of the directory containing the generated .csv files.
basename	The base name of the generated .csv files.

Member Function Documentation

◆ analyzeFlow()

void FlowSimulationAnalyzer::analyzeFlow ( int currentStep )

The main function that analyzes the simulation.

Parameters

currentStep The current iteration of the simulation, determines whether the Analyzer is applied or not.

◆ calculateDensitiesAndVelocities()

void FlowSimulationAnalyzer::calculateDensitiesAndVelocities ( )

Computes the densities and average velocities of the particles resided in each bin.

The function iterates over each bin and looks at each particle in order to modify the density and velocity vectors accordingly.

◆ getBinNumber()

int FlowSimulationAnalyzer::getBinNumber ( ) const

Gets the bin number of the analyzer.

Returns: The bin number of the analyzer.

◆ getBinSize()

double FlowSimulationAnalyzer::getBinSize ( ) const

Gets the size of the bins used in the computation of statistics.

Returns: The size of the bins used in the computation of statistics.

◆ getDensities()

const std::vector< double > & FlowSimulationAnalyzer::getDensities ( ) const

Gets the vector containing the number of particles in each bin (const).

Returns: The const vector containing the number of particles in each bin.

◆ getDirname()

const std::string & FlowSimulationAnalyzer::getDirname ( ) const

Gets the name of the output directory.

Returns: The name of the output directory.

◆ getFrequency()

int FlowSimulationAnalyzer::getFrequency ( ) const

Gets the output frequency.

Returns: The output frequency.

◆ getLeftWallPosX()

double FlowSimulationAnalyzer::getLeftWallPosX ( ) const

Gets the X coordinate of the left wall of the simulation.

Returns: The X coordinate of the left wall of the simulation.

◆ getParticles()

ParticleContainer & FlowSimulationAnalyzer::getParticles ( ) const

Gets a reference to the analyzed ParticleContainer.

Returns: A reference to the analyzed ParticleContainer.

◆ getRightWallPosX()

double FlowSimulationAnalyzer::getRightWallPosX ( ) const

Gets the X coordinate of the right wall of the simulation.

Returns: The X coordinate of the right wall of the simulation.

◆ getVelocities()

const std::vector< double > & FlowSimulationAnalyzer::getVelocities ( ) const

Gets the vector containing the the average velocities of the particles from each bin (const).

Returns: The const vector containing the the average velocities of the particles from each bin.

◆ initialize()

void FlowSimulationAnalyzer::initialize	(	int	binNumber,
		double	leftWallPosX,
		double	rightWallPosX,
		int	n_analyzer,
		const std::string &	dirname = `"statistics"`,
		const std::string &	basename = `"MD_csv"`
	)

Initializes the current object with the given parameters.

Parameters

binNumber	The number of bins analyzed.
leftWallPosX	The X coordinate of the left wall of the simulation.
rightWallPosX	The X coordinate of the right wall of the simulation.
n_analyzer	The number of simulation iterations after which to apply the analyzer functionality.
dirname	The name of the directory containing the generated .csv files.
basename	The base name of the generated .csv files.

◆ writeToCSV()

int FlowSimulationAnalyzer::writeToCSV ( int fileNumber )

Writes the gathered information from the density and velocity vectors into the corresponding .csv file as statistics based on the simulation's state.

Parameters

fileNumber The iteration number to be appended to the filename.

Returns: EXIT_SUCCESS if the file was successfully written, EXIT_FAILURE otherwise.

Member Data Documentation

◆ basename

std::string FlowSimulationAnalyzer::basename {"MD_csv"}

private

The base name of the generated .csv files (default: "MD_csv").

During initialization using an XML input, if the substring "vtk" or "xyz" is found in the base name of the output files, it will automatically be replaced with "csv" and used as the base name for the .csv files.

◆ binNumber

int FlowSimulationAnalyzer::binNumber

private

The number of bins analyzed.

◆ binSize

double FlowSimulationAnalyzer::binSize

private

The size of each bin analyzed.

◆ densities

std::vector<double> FlowSimulationAnalyzer::densities

private

The vector corresponding to the number of particles in each bin.

◆ dirname

std::string FlowSimulationAnalyzer::dirname {"statistics"}

private

The name of the directory containing the generated .csv files (default: "statistics").

◆ leftWallPosX

double FlowSimulationAnalyzer::leftWallPosX

private

The X coordinate of the left wall of the simulation.

◆ n_analyzer

int FlowSimulationAnalyzer::n_analyzer {1000}

private

The number of simulation iterations after which to apply the Analyzer functionality (default: 1000).

◆ particles

ParticleContainer& FlowSimulationAnalyzer::particles

private

A reference to the Particle system.

◆ rightWallPosX

double FlowSimulationAnalyzer::rightWallPosX

private

The X coordinate of the right wall of the simulation.

◆ velocities

std::vector<double> FlowSimulationAnalyzer::velocities

private

The vector corresponding to the average velocity on the y axis of the particles resided in this bin.

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

src/objects/FlowSimulationAnalyzer.h

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ FlowSimulationAnalyzer() [1/2]

◆ FlowSimulationAnalyzer() [2/2]

Member Function Documentation

◆ analyzeFlow()

◆ calculateDensitiesAndVelocities()

◆ getBinNumber()

◆ getBinSize()

◆ getDensities()

◆ getDirname()

◆ getFrequency()

◆ getLeftWallPosX()

◆ getParticles()

◆ getRightWallPosX()

◆ getVelocities()

◆ initialize()

◆ writeToCSV()

Member Data Documentation

◆ basename

◆ binNumber

◆ binSize

◆ densities

◆ dirname

◆ leftWallPosX

◆ n_analyzer

◆ particles

◆ rightWallPosX

◆ velocities