Class for encapsulating multiple Particle objects.. More...

#include <ParticleContainer.h>

Classes
class	PairIterator
	Custom pair iterator for iterating through all possible pairs of Particle objects. More...

Public Member Functions
ContainerType::iterator	begin ()
	Standard library iterator function for marking the beginning of the iteration process.

ContainerType::iterator	end ()
	Standard library iterator function for marking the end of the iteration process.

ContainerType::const_iterator	begin () const
	Standard library iterator function for marking the beginning of the iteration process of a const ParticleContainer.

ContainerType::const_iterator	end () const
	Standard library iterator function for marking the end of the iteration process of a const ParticleContainer.

Particle &	operator[] (size_t index)
	Override of the [] operator.

const Particle &	operator[] (size_t index) const
	Override of the [] operator (const).

PairIterator	beginPairs ()
	Function marking the beginning of the pair iteration process.

PairIterator	endPairs ()
	Function marking the end of the pair iteration process.

	ParticleContainer ()
	Constructs a ParticleContainer with an empty default-initialized ContainerType.

	ParticleContainer (size_t num_particles)
	Constructs a ParticleContainer with an empty ContainerType and reserves space for num_particle Particle entries.

virtual	~ParticleContainer ()
	Destroys the ParticleContainer object.

void	addParticle (const Particle &particle)
	Adds an already existing Particle to the container.

void	addParticle (const std::array< double, 3 > &x, const std::array< double, 3 > &v, double m, int type=TYPE_DEFAULT, double eps=EPSILON_DEFAULT, double sigma=SIGMA_DEFAULT, double k=K_DEFAULT, double r_0=R0_DEFAULT, double fzup=FZUP_DEFAULT)
	Creates and adds a new particle to the container.

void	addParticle (const std::array< double, 3 > &x, const std::array< double, 3 > &v, const std::array< double, 3 > &f, const std::array< double, 3 > &old_f, double m, int type, double eps, double sigma, double k, double r_0, double fzup, int cellIndex)
	Creates and adds a new complete particle to the container.

void	reserve (size_t capacity)
	Reserves a certain amount of spaces inside the Particle vector.

Particle &	get (size_t index)
	Gets a Particle by index. Performs bounds checking and terminates on invalid index.

const Particle &	get (size_t index) const
	Gets a const Particle by index. Performs bounds checking and terminates on invalid index.

int	getSpecialForceLimit () const
	Gets the number of iterations after which the special upward force will no longer be applied.

void	setSpecialForceLimit (int limit)
	Sets the number of iterations after which the special upward force will no longer be applied.

void	decrementSpecialForceLimit ()
	Decrements the number of iterations after which the special upward force will no longer be applied by one.

size_t	size () const
	Returns the size of the container.

size_t	activeSize () const
	Returns the amount of active particles in the container.

size_t	nonWallSize () const
	Returns the amount of active, mobile, non-wall particles in the container.

bool	isEmpty () const
	Checks if the container is empty.

ContainerType &	getParticles ()
	Gets a reference to the inner Particle container.

bool	operator== (const ParticleContainer &other) const
	Overload of the equality operator. Checks if two ParticleContainers have the same Particle objects.

bool	operator!= (const ParticleContainer &other) const
	Overload of the inequality operator. Checks if two ParticleContainers have the at least one differing Particle object or different sizes.

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

Private Types
using	ContainerType = std::vector< Particle >
	The chosen data type for storing Particle objects dynamically and contiguously is a std::vector.

Private Attributes
ContainerType	m_particles
	A ContainerType storing multiple Particle objects, forming the base of this class.

int	m_specialForceLimit
	The number of iterations after which the special upward force will no longer be applied, for membrane simulations.

Detailed Description

Class for encapsulating multiple Particle objects..

Member Typedef Documentation

◆ ContainerType

using ParticleContainer::ContainerType = std::vector<Particle>

private

The chosen data type for storing Particle objects dynamically and contiguously is a std::vector.

Constructor & Destructor Documentation

◆ ParticleContainer() [1/2]

ParticleContainer::ParticleContainer ( )

Constructs a ParticleContainer with an empty default-initialized ContainerType.

◆ ParticleContainer() [2/2]

ParticleContainer::ParticleContainer ( size_t num_particles )

explicit

Constructs a ParticleContainer with an empty ContainerType and reserves space for num_particle Particle entries.

Parameters

num_particles The amount of space to be reserved in the empty ContainerType.

◆ ~ParticleContainer()

virtual ParticleContainer::~ParticleContainer ( )

virtual

Destroys the ParticleContainer object.

Member Function Documentation

◆ activeSize()

size_t ParticleContainer::activeSize ( ) const

Returns the amount of active particles in the container.

Returns: The number of active particles in the container.

◆ addParticle() [1/3]

void ParticleContainer::addParticle ( const Particle & particle )

Adds an already existing Particle to the container.

Parameters

particle The Particle to be added to m_particles.

◆ addParticle() [2/3]

void ParticleContainer::addParticle	(	const std::array< double, 3 > &	x,
		const std::array< double, 3 > &	v,
		const std::array< double, 3 > &	f,
		const std::array< double, 3 > &	old_f,
		double	m,
		int	type,
		double	eps,
		double	sigma,
		double	k,
		double	r_0,
		double	fzup,
		int	cellIndex
	)

Creates and adds a new complete particle to the container.

Parameters

x	A reference to the array containing data for the position \( x \).
v	A reference to the array containing data for the velocity \( v \).
f	A reference to the array containing data for the force \( F \) effective on this particle.
old_f	A reference to the array containing data for the old force \( F \) effective on this particle.
m	The mass \( m \) of the particle.
type	The type of the particle.
eps	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.
cellIndex	The index of this particle inside a cell. For use with the linked cell method.

◆ addParticle() [3/3]

void ParticleContainer::addParticle	(	const std::array< double, 3 > &	x,
		const std::array< double, 3 > &	v,
		double	m,
		int	type = `TYPE_DEFAULT`,
		double	eps = `EPSILON_DEFAULT`,
		double	sigma = `SIGMA_DEFAULT`,
		double	k = `K_DEFAULT`,
		double	r_0 = `R0_DEFAULT`,
		double	fzup = `FZUP_DEFAULT`
	)

Creates and adds a new particle to the container.

Parameters

x	The position of the new particle.
v	The velocity of the new particle.
m	The mass of the new particle.
type	The type of the new particle.
eps	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.

◆ begin() [1/2]

ContainerType::iterator ParticleContainer::begin ( )

Standard library iterator function for marking the beginning of the iteration process.

Returns: An iterator pointing to the first element of m_particles.

◆ begin() [2/2]

ContainerType::const_iterator ParticleContainer::begin ( ) const

Standard library iterator function for marking the beginning of the iteration process of a const ParticleContainer.

Returns: An iterator pointing to the first element of m_particles.

◆ beginPairs()

PairIterator ParticleContainer::beginPairs ( )

Function marking the beginning of the pair iteration process.

Returns: A PairIterator pointing to the first possible particle pair.

◆ decrementSpecialForceLimit()

void ParticleContainer::decrementSpecialForceLimit ( )

Decrements the number of iterations after which the special upward force will no longer be applied by one.

◆ end() [1/2]

ContainerType::iterator ParticleContainer::end ( )

Standard library iterator function for marking the end of the iteration process.

Returns: An iterator pointing to the last element of m_particles.

◆ end() [2/2]

ContainerType::const_iterator ParticleContainer::end ( ) const

Standard library iterator function for marking the end of the iteration process of a const ParticleContainer.

Returns: An iterator pointing to the last element of m_particles.

◆ endPairs()

PairIterator ParticleContainer::endPairs ( )

Function marking the end of the pair iteration process.

Returns: A PairIterator pointing to the last possible particle pair.

◆ get() [1/2]

Particle & ParticleContainer::get ( size_t index )

Gets a Particle by index. Performs bounds checking and terminates on invalid index.

Parameters

index The index of the Particle to get.

Returns: A reference to the Particle at the specified index.

◆ get() [2/2]

const Particle & ParticleContainer::get ( size_t index ) const

Gets a const Particle by index. Performs bounds checking and terminates on invalid index.

Parameters

index The index of the Particle to get.

Returns: A const reference to the Particle at the specified index.

◆ getParticles()

ContainerType & ParticleContainer::getParticles ( )

Gets a reference to the inner Particle container.

Returns: A ContainerType& referencing m_particles.

◆ getSpecialForceLimit()

int ParticleContainer::getSpecialForceLimit ( ) const

Gets the number of iterations after which the special upward force will no longer be applied.

Returns: The number of iterations after which the special upward force will no longer be applied.

◆ isEmpty()

bool ParticleContainer::isEmpty ( ) const

Checks if the container is empty.

Returns: true if there are no Particle objects in the container.; false if there is at least one Particle objects in the container.

◆ nonWallSize()

size_t ParticleContainer::nonWallSize ( ) const

Returns the amount of active, mobile, non-wall particles in the container.

Returns: The number of active, mobile, non-wall particles in the container.

◆ operator!=()

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

Overload of the inequality operator. Checks if two ParticleContainers have the at least one differing Particle object or different sizes.

Parameters

other The ParticleContainer to compare the current one with.

Returns: true if there is at least one differing particle in one of the containers or the sizes differ.; false if both ParticleContainers contain the same particles.

◆ operator==()

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

Overload of the equality operator. Checks if two ParticleContainers have the same Particle objects.

Parameters

other The ParticleContainer to compare the current one with.

Returns: true if both ParticleContainers contain the same particles.; false if there is at least one differing particle in one of the containers or the sizes differ.

◆ operator[]() [1/2]

Particle & ParticleContainer::operator[] ( size_t index )

Override of the [] operator.

Gets a Particle by index. Does NOT perform bounds checking.

Parameters

index The index of the Particle to get.

Returns: A reference to the Particle at the specified index.

◆ operator[]() [2/2]

const Particle & ParticleContainer::operator[] ( size_t index ) const

Override of the [] operator (const).

Gets a Particle by index. Does NOT perform bounds checking.

Parameters

index The index of the Particle to get.

Returns: A const reference to the Particle at the specified index.

◆ reserve()

void ParticleContainer::reserve ( size_t capacity )

Reserves a certain amount of spaces inside the Particle vector.

Parameters

capacity The amount of contiguous spaces to reserve in m_particles.

◆ setSpecialForceLimit()

void ParticleContainer::setSpecialForceLimit ( int limit )

Sets the number of iterations after which the special upward force will no longer be applied.

Parameters

limit The number of iterations after which the special upward force will no longer be applied.

◆ size()

size_t ParticleContainer::size ( ) const

Returns the size of the container.

Returns: The size of the container.

◆ toString()

std::string ParticleContainer::toString ( ) const

Returns a string representation of this container.

Returns: A std::string of this container.

Member Data Documentation

◆ m_particles

ContainerType ParticleContainer::m_particles

private

A ContainerType storing multiple Particle objects, forming the base of this class.

◆ m_specialForceLimit

int ParticleContainer::m_specialForceLimit

private

The number of iterations after which the special upward force will no longer be applied, for membrane simulations.

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

src/objects/ParticleContainer.h

Classes

Public Member Functions

Private Types

Private Attributes

Detailed Description

Member Typedef Documentation

◆ ContainerType

Constructor & Destructor Documentation

◆ ParticleContainer() [1/2]

◆ ParticleContainer() [2/2]

◆ ~ParticleContainer()

Member Function Documentation

◆ activeSize()

◆ addParticle() [1/3]

◆ addParticle() [2/3]

◆ addParticle() [3/3]

◆ begin() [1/2]

◆ begin() [2/2]

◆ beginPairs()

◆ decrementSpecialForceLimit()

◆ end() [1/2]

◆ end() [2/2]

◆ endPairs()

◆ get() [1/2]

◆ get() [2/2]

◆ getParticles()

◆ getSpecialForceLimit()

◆ isEmpty()

◆ nonWallSize()

◆ operator!=()

◆ operator==()

◆ operator[]() [1/2]

◆ operator[]() [2/2]

◆ reserve()

◆ setSpecialForceLimit()

◆ size()

◆ toString()

Member Data Documentation

◆ m_particles

◆ m_specialForceLimit