Cuboid class storing meta-data about the given cuboids. More...

#include <Cuboid.h>

Inheritance diagram for Cuboid:

Public Member Functions
	Cuboid (ParticleContainer &particles, const std::array< double, 3 > &x, const std::array< size_t, 3 > &N, const std::array< double, 3 > &v, double h, double m, int type=TYPE_DEFAULT, double epsilon=EPSILON_DEFAULT, double sigma=SIGMA_DEFAULT, double k=K_DEFAULT, double r_0=R0_DEFAULT, double fzup=FZUP_DEFAULT)
	Constructs a new Cuboid object with all the needed meta-data.

std::array< size_t, 3 > &	getN ()
	Gets the dimensions \( N \) of this cuboid.

const std::array< size_t, 3 > &	getN () const
	Gets the dimensions \( N \) of this cuboid (const).

std::vector< std::array< int, 3 > > &	getSpecialCases ()
	Get the vector containing position indices for particles where the constant upward force should be applied.

const std::vector< std::array< int, 3 > > &	getSpecialCases () const
	Get the vector containing position indices for particles where the constant upward force should be applied (const).

bool	operator== (const Cuboid &other) const
	Overload of the equality operator for Cuboid objects.

bool	operator!= (const Cuboid &other) const
	Overload of the inequality operator for Cuboid objects.

void	initialize (size_t dimensions=2) override
	Main function of Cuboid class, initializes the particles based on the cuboid meta-data and adds them to the given ParticleContainer.

void	initializeNeighbours ()
	Cuboid function for membranes, adds every particle's neighbours to the particle, based on the index in the ParticleContainer.

bool	specialCase (int x, int y, int z)
	Determines, whether Particle objects with the given coordinate indices should have a special upward force applied to them, for membrane simulations.

std::string	toString () const
	Returns a string representation of this Cuboid.

Public Member Functions inherited from Cluster
	Cluster (ParticleContainer &particles, const std::array< double, 3 > &x, const std::array< double, 3 > &v, double h, double m, int type, double epsilon, double sigma)
	Constructs a new Cluster.

virtual	~Cluster ()
	Destroys the current Cluster.

std::array< double, 3 > &	getX ()
	Gets the position \( x \) of this Cluster.

const std::array< double, 3 > &	getX () const
	Gets the position \( x \) of this Cluster (const).

double	getH () const
	Gets the distance \( h \) between the particles of this Cluster.

double	getM () const
	Gets the mass \( m \) of the particles of this Cluster.

std::array< double, 3 > &	getV ()
	Gets the starting velocity \( v \) of the particles of this Cluster.

const std::array< double, 3 > &	getV () const
	Gets the starting velocity \( v \) of the particles of this Cluster (const).

double	getMeanVelocity () const
	Gets the mean velocity for the Maxwell-Boltzmann distribution.

ParticleContainer &	getParticles ()
	Gets the reference to the central ParticleContainer.

const ParticleContainer &	getParticles () const
	Gets the reference to the central ParticleContainer (const).

Private Attributes
std::array< size_t, 3 >	N
	3D Dimensions \( N \) of the cuboid.

double	k
	The stiffness constant \( k \) for membrane simulations.

double	r_0
	The average bond length \( r_0 \) for membrane simulations.

double	fzup
	The constant upward force \( F_{Z-UP} \) for membrane simulations.

std::vector< std::array< int, 3 > >	specialCases
	Vector containing position indices for particles where the constant upward force should be applied, for membrane simulations.

Additional Inherited Members
Protected Attributes inherited from Cluster
std::array< double, 3 >	x
	Starting coordinate \( x \) of the Cluster.

double	h
	Distance \( h \) between the particles in the Cluster.

double	m
	Mass \( m \) of the particles in the Cluster.

int	type
	Type of the particles in the Cluster.

double	epsilon
	Depth \( \epsilon \) of the potential well of the particles in the Cluster.

double	sigma
	Distance \( \sigma \) where the Lennard-Jones potential reaches zero of the particles in the Cluster.

std::array< double, 3 >	v
	Starting velocity \( v \) of the particles in the Cluster (before adding Maxwell-Boltzmann perturbations).

double	mean_velocity
	Mean velocity for the Maxwell-Boltzmann distribution.

ParticleContainer &	particles
	Reference to the ParticleContainer object from the Simulation.

Detailed Description

Cuboid class storing meta-data about the given cuboids.

Constructor & Destructor Documentation

◆ Cuboid()

Cuboid::Cuboid	(	ParticleContainer &	particles,
		const std::array< double, 3 > &	x,
		const std::array< size_t, 3 > &	N,
		const std::array< double, 3 > &	v,
		double	h,
		double	m,
		int	type = `TYPE_DEFAULT`,
		double	epsilon = `EPSILON_DEFAULT`,
		double	sigma = `SIGMA_DEFAULT`,
		double	k = `K_DEFAULT`,
		double	r_0 = `R0_DEFAULT`,
		double	fzup = `FZUP_DEFAULT`
	)

Constructs a new Cuboid object with all the needed meta-data.

Parameters

particles	A reference to the central ParticleContainer.
x	A reference to the array containing data for the cuboid position \( x \).
N	A reference to the array containing data for the dimensions \( N \) of the cuboid.
v	A reference to the array containing data for the starting speed \( v \) of the particles in the cuboid.
h	The distance \( h \) between the particles in the cuboid.
m	The mass \( m \) of the particles in the cuboid.
type	The type of the particle. 1 if wall, 0 otherwise
epsilon	The Lennard-Jones parameter \( \epsilon \) of the particle.
sigma	The Lennard-Jones parameter \( \sigma \) of the particle.
k	The stiffness constant \( k \), used for membrane simulations.
r_0	The average bond length \( r_0 \), used for membrane simulations.
fzup	The constant upward force \( F_{Z-UP} \), used for membrane simulations.

Member Function Documentation

◆ getN() [1/2]

std::array< size_t, 3 > & Cuboid::getN ( )

Gets the dimensions \( N \) of this cuboid.

Returns: A reference to the dimensions array of this cuboid.

◆ getN() [2/2]

const std::array< size_t, 3 > & Cuboid::getN ( ) const

Gets the dimensions \( N \) of this cuboid (const).

Returns: A const reference to the dimensions array of this cuboid.

◆ getSpecialCases() [1/2]

std::vector< std::array< int, 3 > > & Cuboid::getSpecialCases ( )

Get the vector containing position indices for particles where the constant upward force should be applied.

Returns: A reference to the vector containing position indices for particles where the constant upward force should be applied.

◆ getSpecialCases() [2/2]

const std::vector< std::array< int, 3 > > & Cuboid::getSpecialCases ( ) const

Get the vector containing position indices for particles where the constant upward force should be applied (const).

Returns: A const reference to the vector containing position indices for particles where the constant upward force should be applied.

◆ initialize()

void Cuboid::initialize ( size_t dimensions = 2 )

overridevirtual

Main function of Cuboid class, initializes the particles based on the cuboid meta-data and adds them to the given ParticleContainer.

Parameters

dimensions The number of dimensions for which to perform the simulation. Must be either 1 or 2.

Implements Cluster.

◆ initializeNeighbours()

void Cuboid::initializeNeighbours ( )

Cuboid function for membranes, adds every particle's neighbours to the particle, based on the index in the ParticleContainer.

◆ operator!=()

bool Cuboid::operator!= ( const Cuboid & other ) const

Overload of the inequality operator for Cuboid objects.

Parameters

other A reference to the Cuboid object to compare the current object with.

Returns: true if both particles have at least one differing attribute.; false if both particles' data (attributes) contain the same values.

◆ operator==()

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

Overload of the equality operator for Cuboid objects.

Parameters

other A reference to the Cuboid object to compare the current object with.

Returns: true if both cuboids' data (attributes) contain the same values.; false if both cuboids have at least one differing attribute.

◆ specialCase()

bool Cuboid::specialCase	(	int	x,
		int	y,
		int	z
	)

Determines, whether Particle objects with the given coordinate indices should have a special upward force applied to them, for membrane simulations.

Note that the parameters are NOT the coordinates themselves; rather, they are indices in the cuboid starting from the origin. This cross-references the entries in specialCases.

Parameters

x	The x-index.
y	The y-index.
z	The z-index.

Returns: true if the Particle with the given indices should have a special force applied to it.; false if the Particle with the given indices should not have a special force applied to it.

◆ toString()

std::string Cuboid::toString ( ) const

Returns a string representation of this Cuboid.

Returns: The formatted Cuboid data as a std::string.

Member Data Documentation

◆ fzup

double Cuboid::fzup

private

The constant upward force \( F_{Z-UP} \) for membrane simulations.

◆ k

double Cuboid::k

private

The stiffness constant \( k \) for membrane simulations.

◆ N

std::array<size_t, 3> Cuboid::N

private

3D Dimensions \( N \) of the cuboid.

◆ r_0

double Cuboid::r_0

private

The average bond length \( r_0 \) for membrane simulations.

◆ specialCases

std::vector<std::array<int, 3> > Cuboid::specialCases

private

Vector containing position indices for particles where the constant upward force should be applied, for membrane simulations.

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

src/objects/Cuboid.h

Public Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ Cuboid()

Member Function Documentation

◆ getN() [1/2]

◆ getN() [2/2]

◆ getSpecialCases() [1/2]

◆ getSpecialCases() [2/2]

◆ initialize()

◆ initializeNeighbours()

◆ operator!=()

◆ operator==()

◆ specialCase()

◆ toString()

Member Data Documentation

◆ fzup

◆ k

◆ N

◆ r_0

◆ specialCases