This class is used to analyse the error and predict the required number of instances. More...

#include <ErrorEstimation.h>

Public Types
enum	errorBaseQuantity { Velocity = 0 , Density = 1 , Temperature = 2 , Pressure = 3 }

enum	errorType { Relative = 0 , Absolute = 1 }

Public Member Functions
	ErrorEstimation (double velocity, double temperature, double numberOfParticle, double particleMass, double soundSpeed, double numberOfSamples, double cellVolume)

	~ErrorEstimation ()

double	getError (errorBaseQuantity BaseQuantity, errorType Type)

double	getCorrectorNumberOfSamples (errorBaseQuantity BaseQuantity, errorType Type)

double	getErrorVelocity (double numberOfSamples, double velocity, double temperature, double numberOfParticle, double particleMass)

double	getErrorDensity (double numberOfSamples, double soundSpeed, double temperature, double numberOfParticle, double particleMass)

double	getErrorTemperature (double numberOfSamples, double numberOfParticle, double temperature)

double	getErrorPressure (double numberOfSamples, double numberOfParticle, double temperature, double soundSpeed, double particleMass, double cellVolume, double pressure)

double	requiredSamplesV (double desiredError, double temperature, double soundSpeed, double velocity, double numberOfParticle, double particleMass)

double	requiredSamplesD (double desiredError, double temperature, double soundSpeed, double velocity, double particleMass, double numberOfParticle)

double	reqiredSamplesT (double desiredError)

double	velocitySNR (double velocity, double temperature, double numberOfParticle, double particleMass)

double	veloyityFluctuation (double temperature, double numberOfParticle, double particleMass)

void	setAbsVelocityError (double error)

void	setRelVelocityError (double error)

void	setAbsDensityError (double error)

void	setRelDensityError (double error)

void	setAbsTemperatureError (double error)

void	setRelTemperatureError (double error)

void	setAbsPressureError (double error)

void	setRelPressureError (double error)

Private Member Functions
double	getErrorVelocity ()

double	getErrorDensity ()

double	getErrorTemperature ()

double	acousticNumber (double soundSpeed, double soundSpeed_ref)

double	referenceSoundSpeed (double temperature, double particleMass)

double	referencePressure (double temperature, double numberOfParticle, double cellVolume)

Private Attributes
double	_velocity

double	_temperature

double	_numberOfParticle

double	_particleMass

double	_soundSpeed

double	_numberOfSamples

double	_cellVolume

double	_desiredAbsErrorVelocity

double	_desiredRelErrorVelocity

double	_desiredAbsErrorDensity

double	_desiredRelErrorDensity

double	_desiredAbsErrorTemperature

double	_desiredRelErrorTemperature

double	_desiredAbsErrorPressure

double	_desiredRelErrorPressure

double	_gamma

double	_C_v

double	_k

Detailed Description

This class is used to analyse the error and predict the required number of instances.

This class provides the basic eqations for analytical error estimation based in the statistical mechanic. There are two typs of error estimation in this class bases on velocity ans density fluctuation. Also it can be used to estimate the required number of MD-simulations as a function of required maximum error.

Author: Vahid Jafarittmer

Member Enumeration Documentation

◆ errorBaseQuantity

enum coupling::error::ErrorEstimation::errorBaseQuantity

The quantiy, its error we want to analyse

Enumerator
Velocity	error in Velocity
Density	error in Density
Temperature	error in Temperature
Pressure	error in Pressure

◆ errorType

enum coupling::error::ErrorEstimation::errorType

relative/absolute error

Enumerator
Relative	Relative error
Absolute	Absolute error

Constructor & Destructor Documentation

◆ ErrorEstimation()

coupling::error::ErrorEstimation::ErrorEstimation	(	double	velocity,
		double	temperature,
		double	numberOfParticle,
		double	particleMass,
		double	soundSpeed,
		double	numberOfSamples,
		double	cellVolume )

inline

Constructor: Initializes the private member of the class.

Parameters

velocity
temperature
numberOfParticle
particleMass
soundSpeed
numberOfSamples
cellVolume

◆ ~ErrorEstimation()

coupling::error::ErrorEstimation::~ErrorEstimation ( )

inline

Destructor:

Member Function Documentation

◆ getCorrectorNumberOfSamples()

double coupling::error::ErrorEstimation::getCorrectorNumberOfSamples	(	errorBaseQuantity	BaseQuantity,
		errorType	Type )

inline

This function predict the required number of MD instances to keep the relative or absolute error of the quantites veocty, density, tempetature or pressure based on its arguments under a certain value. The desired error value has to be set before, this function is called.

Parameters

errorBaseQuantity
errorType

◆ getError()

double coupling::error::ErrorEstimation::getError	(	errorBaseQuantity	BaseQuantity,
		errorType	Type )

inline

This function predict the relative or absolute error of the quantites veocty, density, tempetature or pressure based on its arguments.

Parameters

errorBaseQuantity
errorType

◆ getErrorDensity() [1/2]

double coupling::error::ErrorEstimation::getErrorDensity ( )

inlineprivate

This function estimates the density error

Returns: density error

◆ getErrorDensity() [2/2]

double coupling::error::ErrorEstimation::getErrorDensity	(	double	numberOfSamples,
		double	soundSpeed,
		double	temperature,
		double	numberOfParticle,
		double	particleMass )

inline

This function estimates the density error

Parameters

numberOfSamples
soundSpeed
temperature
numberOfParticle
particleMass

Returns: error density error

◆ getErrorPressure()

double coupling::error::ErrorEstimation::getErrorPressure	(	double	numberOfSamples,
		double	numberOfParticle,
		double	temperature,
		double	soundSpeed,
		double	particleMass,
		double	cellVolume,
		double	pressure )

inline

This function estimates the pressure error

Parameters

numberOfSamples
numberOfParticle
temperature
soundSpeed
particleMass
cellVolume
pressure

Returns: error pressure error

◆ getErrorTemperature() [1/2]

double coupling::error::ErrorEstimation::getErrorTemperature ( )

inlineprivate

This function estimates the temperature error

Returns: temperature error

◆ getErrorTemperature() [2/2]

double coupling::error::ErrorEstimation::getErrorTemperature	(	double	numberOfSamples,
		double	numberOfParticle,
		double	temperature )

inline

This function estimates the temperature error

Parameters

numberOfSamples
temperature
numberOfParticle

Returns: error temperature error

◆ getErrorVelocity() [1/2]

double coupling::error::ErrorEstimation::getErrorVelocity ( )

inlineprivate

This function estimates the velocity error

Returns: velocity error

◆ getErrorVelocity() [2/2]

double coupling::error::ErrorEstimation::getErrorVelocity	(	double	numberOfSamples,
		double	velocity,
		double	temperature,
		double	numberOfParticle,
		double	particleMass )

inline

This function estimates the velocity error

Parameters

numberOfSamples
velocity
temperature
numberOfParticle
particleMass

Returns: error veocty error

◆ referencePressure()

double coupling::error::ErrorEstimation::referencePressure	(	double	temperature,
		double	numberOfParticle,
		double	cellVolume )

inlineprivate

calculates thepressure of an ideal gas under the same conditions

Parameters

temperature
numberOfParticle
cellVolume

Returns: reference pressure

◆ referenceSoundSpeed()

double coupling::error::ErrorEstimation::referenceSoundSpeed	(	double	temperature,
		double	particleMass )

inlineprivate

calculates the sound speed of a reference ideal gas at the same temperature

Parameters

temperature
particleMass

Returns: referenc sound speed

◆ reqiredSamplesT()

double coupling::error::ErrorEstimation::reqiredSamplesT ( double desiredError )

inline

This function estimates the number of MD instances required to keep the error of the temperature under _desiredAbsErrorTemperature or _desiredrelErrorTemperature

Parameters

desiredError
temperature
soundSpeed
velocity
numberOfParticle
particleMass

Returns: desiredNumber required number of MD instances

◆ requiredSamplesD()

double coupling::error::ErrorEstimation::requiredSamplesD	(	double	desiredError,
		double	temperature,
		double	soundSpeed,
		double	velocity,
		double	particleMass,
		double	numberOfParticle )

inline

This function estimates the number of MD instances required to keep the error of the density under _desiredAbsErrorDensity or _desiredrelErrorDensity

Parameters

desiredError
temperature
soundSpeed
velocity
numberOfParticle
particleMass

Returns: desiredNumber required number of MD instances

◆ requiredSamplesV()

double coupling::error::ErrorEstimation::requiredSamplesV	(	double	desiredError,
		double	temperature,
		double	soundSpeed,
		double	velocity,
		double	numberOfParticle,
		double	particleMass )

inline

This function estimates the number of MD instances required to keep the error of the veloctiy under _desiredAbsErrorVelocity or _desiredrelErrorVelocity

Parameters

desiredError
temperature
soundSpeed
velocity
numberOfParticle
particleMass

Returns: desiredNumber required number of MD instances

◆ setAbsDensityError()

void coupling::error::ErrorEstimation::setAbsDensityError ( double error )

inline

sets the required absloute error of the density

Parameters

error

◆ setAbsPressureError()

void coupling::error::ErrorEstimation::setAbsPressureError ( double error )

inline

sets the required absloute error of the pressure

Parameters

error

◆ setAbsTemperatureError()

void coupling::error::ErrorEstimation::setAbsTemperatureError ( double error )

inline

sets the required absloute error of the temperature

Parameters

error

◆ setAbsVelocityError()

void coupling::error::ErrorEstimation::setAbsVelocityError ( double error )

inline

sets the required absloute error of the velocity

Parameters

error

◆ setRelDensityError()

void coupling::error::ErrorEstimation::setRelDensityError ( double error )

inline

sets the required relative error of the density

Parameters

error

◆ setRelPressureError()

void coupling::error::ErrorEstimation::setRelPressureError ( double error )

inline

sets the required relative error of the pressure

Parameters

error

◆ setRelTemperatureError()

void coupling::error::ErrorEstimation::setRelTemperatureError ( double error )

inline

sets the required relative error of the temperature

Parameters

error

◆ setRelVelocityError()

void coupling::error::ErrorEstimation::setRelVelocityError ( double error )

inline

sets the required relative error of the velocity

Parameters

error

◆ velocitySNR()

double coupling::error::ErrorEstimation::velocitySNR	(	double	velocity,
		double	temperature,
		double	numberOfParticle,
		double	particleMass )

inline

signal-to-noise ratio as the average fluid velocity over the standard deviation (square root of the veloyity fluctuation=

Parameters

velocity
temperature
numberOfParticle
particleMass

Returns: desiredNumber required number of MD instances

See also: veloyityFluctuation

◆ veloyityFluctuation()

double coupling::error::ErrorEstimation::veloyityFluctuation	(	double	temperature,
		double	numberOfParticle,
		double	particleMass )

inline

veloyity fluctuation from equilibrium statistical mechanics

Parameters

temperature
numberOfParticle
particleMass

Returns: veloyity fluctuation

See also: velocitySNR

Member Data Documentation

◆ _k

double coupling::error::ErrorEstimation::_k

private

Boltzman Constant unit: [J/K]

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

coupling/ErrorEstimation.h

Public Types

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Member Enumeration Documentation

◆ errorBaseQuantity

◆ errorType

Constructor & Destructor Documentation

◆ ErrorEstimation()

◆ ~ErrorEstimation()

Member Function Documentation

◆ getCorrectorNumberOfSamples()

◆ getError()

◆ getErrorDensity() [1/2]

◆ getErrorDensity() [2/2]

◆ getErrorPressure()

◆ getErrorTemperature() [1/2]

◆ getErrorTemperature() [2/2]

◆ getErrorVelocity() [1/2]

◆ getErrorVelocity() [2/2]

◆ referencePressure()

◆ referenceSoundSpeed()

◆ reqiredSamplesT()

◆ requiredSamplesD()

◆ requiredSamplesV()

◆ setAbsDensityError()

◆ setAbsPressureError()

◆ setAbsTemperatureError()

◆ setAbsVelocityError()

◆ setRelDensityError()

◆ setRelPressureError()

◆ setRelTemperatureError()

◆ setRelVelocityError()

◆ velocitySNR()

◆ veloyityFluctuation()

Member Data Documentation

◆ _k