#include <Particle.h>

Collaboration diagram for Particle:

Public Member Functions
	Particle (int type=0)

	Particle (const Particle &other)

	Particle (std::array< double, 3 > x_arg, std::array< double, 3 > v_arg, double m_arg, int type=0, double epsilon_arg=5, double sigma_arg=1)

void	resetForce ()
	Set force to oldForce and set force to 0. More...

double	calculateEKin () const
	Calculate the current kinetic energy of the particle. More...

double	calculateEKinFlow (std::array< double, 3 > &avgVelocity) const
	Calculate the current kinetic energy of the particle within a flow simulation. More...

void	addDirectNeighbor (int idToAdd)

void	addDiagonalNeighbor (int idToAdd)

bool	isDirectNeighbor (Particle &neighbor)
	Check, if particle neighbor is a direct neighbor of this particle. More...

bool	isDiagonalNeighbor (Particle &neighbor)
	Check, if particle neighbor is a diagonal neighbor of this particle. More...

virtual	~Particle ()

const std::array< double, 3 > &	getX () const

const std::array< double, 3 > &	getV () const

const std::array< double, 3 > &	getF () const

const std::array< double, 3 > &	getOldF () const

double	getM () const

int	getType () const

double	getEpsilon () const

double	getSigma () const

int	getId () const

bool	isMarked () const

std::vector< int > &	getDirectNeighbors ()

std::vector< int > &	getDiagonalNeighbors ()

bool	isFixed () const

void	setOldF (const std::array< double, 3 > &oldF)

void	setF (const std::array< double, 3 > &f)

void	setX (const std::array< double, 3 > &x)

void	setV (const std::array< double, 3 > &v)

void	setType (int type)

void	setMarked (bool status)

void	setFixed (bool status)

bool	operator== (Particle &other) const

std::string	toString () const

Static Public Member Functions
static void	resetID ()
	Reset Id for testing purposes. More...

Private Attributes
std::array< double, 3 >	x {}

std::array< double, 3 >	v {}

std::array< double, 3 >	f {}

std::array< double, 3 >	old_f {}

double	m {}

int	type

double	epsilon

double	sigma

bool	marked

int	id

std::vector< int >	directNeighbors

std::vector< int >	diagonalNeighbors

bool	fixed

std::vector< bool >	forceMarker

std::vector< std::array< double, 3 > >	forceAccumulator

Static Private Attributes
static int	nextId = 1

Constructor & Destructor Documentation

◆ Particle() [1/3]

Particle::Particle ( int type = 0 )

explicit

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◆ Particle() [2/3]

Particle::Particle ( const Particle & other )

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◆ Particle() [3/3]

Particle::Particle	(	std::array< double, 3 >	x_arg,
		std::array< double, 3 >	v_arg,
		double	m_arg,
		int	type = `0`,
		double	epsilon_arg = `5`,
		double	sigma_arg = `1`
	)

◆ ~Particle()

Particle::~Particle ( )

virtual

Member Function Documentation

◆ addDiagonalNeighbor()

void Particle::addDiagonalNeighbor ( int idToAdd )

Make particle p a diagonal neighbor of this particle.

Parameters

idToAdd New diagonal neighbor of this particle.

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◆ addDirectNeighbor()

void Particle::addDirectNeighbor ( int idToAdd )

Make particle p a direct neighbor of this particle.

Parameters

idToAdd New direct neighbor of this particle.

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◆ calculateEKin()

double Particle::calculateEKin ( ) const

Calculate the current kinetic energy of the particle.

Returns: kinetic energy of the particle.

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◆ calculateEKinFlow()

double Particle::calculateEKinFlow ( std::array< double, 3 > & avgVelocity ) const

Calculate the current kinetic energy of the particle within a flow simulation.

Parameters

avgVelocity Average velocity of the particles within the system.

Returns: kinetic energy of the particle.

◆ getDiagonalNeighbors()

std::vector< int > & Particle::getDiagonalNeighbors ( )

◆ getDirectNeighbors()

std::vector< int > & Particle::getDirectNeighbors ( )

◆ getEpsilon()

double Particle::getEpsilon ( ) const

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◆ getF()

const std::array< double, 3 > & Particle::getF ( ) const

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◆ getId()

int Particle::getId ( ) const

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◆ getM()

double Particle::getM ( ) const

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◆ getOldF()

const std::array< double, 3 > & Particle::getOldF ( ) const

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◆ getSigma()

double Particle::getSigma ( ) const

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◆ getType()

int Particle::getType ( ) const

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◆ getV()

const std::array< double, 3 > & Particle::getV ( ) const

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◆ getX()

const std::array< double, 3 > & Particle::getX ( ) const

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◆ isDiagonalNeighbor()

bool Particle::isDiagonalNeighbor ( Particle & neighbor )

Check, if particle neighbor is a diagonal neighbor of this particle.

Parameters

neighbor Particle to check.

Returns: True, if the specified particle is a diagonal neighbor. False otherwise.

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◆ isDirectNeighbor()

bool Particle::isDirectNeighbor ( Particle & neighbor )

Check, if particle neighbor is a direct neighbor of this particle.

Parameters

neighbor Particle to check.

Returns: True, if the specified particle is a direct neighbor. False otherwise.

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◆ isFixed()

bool Particle::isFixed ( ) const

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◆ isMarked()

bool Particle::isMarked ( ) const

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◆ operator==()

bool Particle::operator== ( Particle & other ) const

◆ resetForce()

void Particle::resetForce ( )

Set force to oldForce and set force to 0.

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◆ resetID()

void Particle::resetID ( )

static

Reset Id for testing purposes.

◆ setF()

void Particle::setF ( const std::array< double, 3 > & f )

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◆ setFixed()

void Particle::setFixed ( bool status )

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◆ setMarked()

void Particle::setMarked ( bool status )

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◆ setOldF()

void Particle::setOldF ( const std::array< double, 3 > & oldF )

◆ setType()

void Particle::setType ( int type )

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◆ setV()

void Particle::setV ( const std::array< double, 3 > & v )

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◆ setX()

void Particle::setX ( const std::array< double, 3 > & x )

◆ toString()

std::string Particle::toString ( ) const

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Member Data Documentation

◆ diagonalNeighbors

std::vector<int> Particle::diagonalNeighbors

private

Diagonal neighbors within a membrane.

◆ directNeighbors

std::vector<int> Particle::directNeighbors

private

Direct neighbors within a membrane.

◆ epsilon

double Particle::epsilon

private

Lennard-Jones-Parameter epsilon.

◆ f

std::array<double, 3> Particle::f {}

private

Force effective on this particle.

◆ fixed

bool Particle::fixed

private

Fixed particles belong to a wall. Needed for study nanofluidics.

◆ forceAccumulator

std::vector<std::array<double,3> > Particle::forceAccumulator

private

Each thread has its own value to accumulate the forces it has calculated.

◆ forceMarker

std::vector<bool> Particle::forceMarker

private

Mark, which forces of the reduction vector are unequal to 0.

◆ id

int Particle::id

private

Id to set neighbor relationships between particles.

◆ m

double Particle::m {}

private

Mass of this particle.

◆ marked

bool Particle::marked

private

Mark particles to which a special force should be applied.

◆ nextId

int Particle::nextId = 1

staticprivate

Id of the particle that is created next.

◆ old_f

std::array<double, 3> Particle::old_f {}

private

Force which was effective on this particle.

◆ sigma

double Particle::sigma

private

Lennard-Jones-Parameter sigma.

◆ type

int Particle::type

private

Type of the particle. Use it for whatever you want (e.g. to separate molecules belonging to different bodies, matters, and so on).

◆ v

std::array<double, 3> Particle::v {}

private

Velocity of the particle.

◆ x

std::array<double, 3> Particle::x {}

private

Position of the particle.

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

/home/runner/work/MolSim/MolSim/src/particleRepresentation/particle/Particle.h
/home/runner/work/MolSim/MolSim/src/particleRepresentation/particle/Particle.cpp

Public Member Functions

Static Public Member Functions

Private Attributes

Static Private Attributes

Constructor & Destructor Documentation

◆ Particle() [1/3]

◆ Particle() [2/3]

◆ Particle() [3/3]

◆ ~Particle()

Member Function Documentation

◆ addDiagonalNeighbor()

◆ addDirectNeighbor()

◆ calculateEKin()

◆ calculateEKinFlow()

◆ getDiagonalNeighbors()

◆ getDirectNeighbors()

◆ getEpsilon()

◆ getF()

◆ getId()

◆ getM()

◆ getOldF()

◆ getSigma()

◆ getType()

◆ getV()

◆ getX()

◆ isDiagonalNeighbor()

◆ isDirectNeighbor()

◆ isFixed()

◆ isMarked()

◆ operator==()

◆ resetForce()

◆ resetID()

◆ setF()

◆ setFixed()

◆ setMarked()

◆ setOldF()

◆ setType()

◆ setV()

◆ setX()

◆ toString()

Member Data Documentation

◆ diagonalNeighbors

◆ directNeighbors

◆ epsilon

◆ f

◆ fixed

◆ forceAccumulator

◆ forceMarker

◆ id

◆ m

◆ marked

◆ nextId

◆ old_f

◆ sigma

◆ type

◆ v

◆ x