DefaultParticleContainer Class Reference

Container to store the particles for simulation using the direct sum algorithm. More...

#include <DefaultParticleContainer.h>

Inheritance diagram for DefaultParticleContainer:

Collaboration diagram for DefaultParticleContainer:

Public Member Functions
	DefaultParticleContainer ()=default
	DefaultParticleContainer (size_t capacity)
	Create a ParticleContainer which can store up to capacity particles. More...
void	add (Particle &p) override
	Add one particle to this container. More...
Particle &	at (size_t i)
	Obtain particle at position i. More...
size_t	size () const override
	Retrieve the size of the data structure. More...
size_t	capacity ()
	Retrieve the capacity of this container. More...
std::vector< Particle >::iterator	begin ()
	Obtain an iterator to the first particle in this container. More...
std::vector< Particle >::iterator	end ()
	Obtain an iterator to the last element of this container. More...
void	reserve (size_t n)
	Used to reserve the capacity of the vector used to storing particles. More...
bool	contains (Particle &p)
	Check, if this particle container contains an particle p' that equals p. More...
void	applyToEachParticle (const std::function< void(Particle &)> &function) override
	Iterate over all particles in this container and apply a lambda function to them. More...
void	applyToEachParticleInDomain (const std::function< void(Particle &)> &function) override
	Iterate over all particles that are part of the domain and apply a lambda function to them. For this container this method does the same as applyToEachParticle(), because every particle is in the simulation domain. More...
void	applyToAllUniquePairsInDomain (const std::function< void(Particle &, Particle &)> &function) override
	Iterate over all unique pairs of particles being part of the simulation domain (in this container all particles) and apply a lambda function to them. More...
Public Member Functions inherited from ParticleContainer
virtual	~ParticleContainer ()=default
	Virtual default constructor to guarantee appropriate memory clean up. More...

Private Attributes
std::vector< Particle >	particles

Detailed Description

Container to store the particles for simulation using the direct sum algorithm.

The storage of the particles is based on std::vector. This guarantees fast iteration over the particles, because they are stored consecutively in memory.

Constructor & Destructor Documentation

DefaultParticleContainer() [1/2]

DefaultParticleContainer::DefaultParticleContainer ( )

default

DefaultParticleContainer() [2/2]

DefaultParticleContainer::DefaultParticleContainer ( size_t  capacity )

explicit

Create a ParticleContainer which can store up to capacity particles.

Parameters

capacity

If the capacity is exceeded the whole data structure will be extended leading to reallocation.

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Member Function Documentation

add()

void DefaultParticleContainer::add ( Particle &  p )

overridevirtual

Add one particle to this container.

Parameters

p	Particle to be added to this container.

Add one particle to this container. It will be appended.

Implements ParticleContainer.

applyToAllUniquePairsInDomain()

void DefaultParticleContainer::applyToAllUniquePairsInDomain ( const std::function< void(Particle &, Particle &)> &  function )

overridevirtual

Iterate over all unique pairs of particles being part of the simulation domain (in this container all particles) and apply a lambda function to them.

Parameters

function

Lambda function that is applied to each unique pair of particles.

The purpose of this function is provide an easy way of calculating the force between all particles by using Newton's third law of motion.

Implements ParticleContainer.

applyToEachParticle()

void DefaultParticleContainer::applyToEachParticle ( const std::function< void(Particle &)> &  function )

overridevirtual

Iterate over all particles in this container and apply a lambda function to them.

Parameters

function

Lambda function that is applied to each particle.

Implements ParticleContainer.

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applyToEachParticleInDomain()

void DefaultParticleContainer::applyToEachParticleInDomain ( const std::function< void(Particle &)> &  function )

overridevirtual

Iterate over all particles that are part of the domain and apply a lambda function to them. For this container this method does the same as applyToEachParticle(), because every particle is in the simulation domain.

Parameters

function

Lambda function that is applied to each particle.

Implements ParticleContainer.

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at()

Particle & DefaultParticleContainer::at

(

size_t

i

)

Obtain particle at position i.

Parameters

i	Position of the particle of concern.

Returns

Particle at position i.

Before access, it will be checked, if the position is valid. Otherwise an exception will be thrown.

begin()

std::vector< Particle >::iterator DefaultParticleContainer::begin

(

)

Obtain an iterator to the first particle in this container.

Returns

Iterator to first particle in this container.

Obtain an iterator to the first particle in this container.

capacity()

size_t DefaultParticleContainer::capacity

(

)

Retrieve the capacity of this container.

Returns

Capacity of this container.

The capacity of this container is the number of particles which can be stored, before the data structure has to be extended.

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contains()

bool DefaultParticleContainer::contains

(

Particle &

p

)

Check, if this particle container contains an particle p' that equals p.

Parameters

p	Particle to look for

Returns

true, if this particle container contains some particle p' that equals p, false otherwise.

This method should only be used for testing purposes in small instances, because the implementation is not that efficient.

end()

std::vector< Particle >::iterator DefaultParticleContainer::end

(

)

Obtain an iterator to the last element of this container.

Returns

Iterator to last element of this container.

Obtain an iterator to the last element of this container.

reserve()

void DefaultParticleContainer::reserve

(

size_t

n

)

Used to reserve the capacity of the vector used to storing particles.

Parameters

n	desired size

size()

size_t DefaultParticleContainer::size ( ) const

overridevirtual

Retrieve the size of the data structure.

Returns

Number of particles in this container.

Provides the number of particles currently stored in the data structure.

Implements ParticleContainer.

Member Data Documentation

particles

std::vector<Particle> DefaultParticleContainer::particles

private

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

• /home/runner/work/MolSim/MolSim/src/particleRepresentation/container/defaultParticleContainer/DefaultParticleContainer.h
• /home/runner/work/MolSim/MolSim/src/particleRepresentation/container/defaultParticleContainer/DefaultParticleContainer.cpp