The CellBasedParticleContainer class stores particles in some object and provides methods to iterate over its particles. More...

#include <CellBasedParticleContainer.h>

Inheritance diagram for autopas::CellBasedParticleContainer< ParticleCell_T >:

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Collaboration diagram for autopas::CellBasedParticleContainer< ParticleCell_T >:

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Public Member Functions
	CellBasedParticleContainer (const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax, const double cutoff, const double skin, const size_t sortingThreshold)
	Constructor of CellBasedParticleContainer.

	~CellBasedParticleContainer () override=default
	Destructor of CellBasedParticleContainer.

	CellBasedParticleContainer (const CellBasedParticleContainer &obj)=delete
	Delete the copy constructor to prevent unwanted copies.

CellBasedParticleContainer &	operator= (const CellBasedParticleContainer &other)=delete
	Delete the copy assignment operator to prevent unwanted copies No particle container should ever be copied.

const std::array< double, 3 > &	getBoxMax () const final
	Get the upper corner of the container without halo.

const std::array< double, 3 > &	getBoxMin () const final
	Get the lower corner of the container without halo.

double	getCutoff () const final
	Return the cutoff of the container.

void	setCutoff (double cutoff) final
	Set the cutoff of the container.

double	getInteractionLength () const final
	Return the interaction length (cutoff+skin) of the container.

double	getVerletSkin () const final
	Returns the verlet Skin length.

void	deleteAllParticles () override
	Deletes all particles from the container.

size_t	getNumberOfParticles (IteratorBehavior behavior) const override
	Get the number of particles with respect to the specified IteratorBehavior.

size_t	size () const override
	Get the total number of particles saved in the container (owned + halo + dummy).

const std::vector< ParticleCellType > &	getCells () const
	Get immutable vector of cells.

Public Member Functions inherited from autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >
	ParticleContainerInterface (double skin)
	Constructor.

	ParticleContainerInterface (const ParticleContainerInterface &obj)=delete
	Delete the copy constructor to prevent unwanted copies.

virtual	~ParticleContainerInterface ()=default
	Destructor of ParticleContainerInterface.

ParticleContainerInterface &	operator= (const ParticleContainerInterface &other)=delete
	Delete the copy assignment operator to prevent unwanted copies.

virtual ContainerOption	getContainerType () const=0
	Get the ContainerType.

virtual void	reserve (size_t numParticles, size_t numParticlesHaloEstimate)=0
	Reserve memory for a given number of particles in the container and logic layers.

void	addParticle (const ParticleCell_T::ParticleType &p)
	Adds a particle to the container.

void	addHaloParticle (const ParticleCell_T::ParticleType &haloParticle)
	Adds a particle to the container that lies in the halo region of the container.

virtual bool	updateHaloParticle (const ParticleCell_T::ParticleType &haloParticle)=0
	Update a halo particle of the container with the given haloParticle.

virtual void	rebuildNeighborLists (TraversalInterface *traversal)=0
	Rebuilds the neighbor lists for the next traversals.

virtual void	deleteHaloParticles ()=0
	Deletes all halo particles.

virtual void	deleteAllParticles ()=0
	Deletes all particles.

virtual size_t	getNumberOfParticles (IteratorBehavior behavior=IteratorBehavior::owned) const=0
	Get the number of particles with respect to the specified IteratorBehavior.

virtual size_t	size () const=0
	Get the total number of particles saved in the container (owned + halo + dummy).

virtual ContainerIterator< ParticleCell_T::ParticleType, true, false >	begin (IteratorBehavior behavior=IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleCell_T::ParticleType, true, false >::ParticleVecType *additionalVectors=nullptr)=0
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

virtual ContainerIterator< ParticleCell_T::ParticleType, false, false >	begin (IteratorBehavior behavior=IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleCell_T::ParticleType, false, false >::ParticleVecType *additionalVectors=nullptr) const=0
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

ContainerIterator< ParticleCell_T::ParticleType, false, false >	cbegin (IteratorBehavior behavior=IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleCell_T::ParticleType, false, false >::ParticleVecType *additionalVectors=nullptr) const
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

virtual ContainerIterator< ParticleCell_T::ParticleType, true, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< ParticleCell_T::ParticleType, true, true >::ParticleVecType *additionalVectors=nullptr)=0
	Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

virtual ContainerIterator< ParticleCell_T::ParticleType, false, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< ParticleCell_T::ParticleType, false, true >::ParticleVecType *additionalVectors=nullptr) const=0
	Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

constexpr bool	end () const
	Dummy to make range-based for loops work.

virtual void	computeInteractions (TraversalInterface *traversal)=0
	Iterates over all particle multiples (e.g.

virtual const std::array< double, 3 > &	getBoxMax () const=0
	Get the upper corner of the container without halo.

virtual const std::array< double, 3 > &	getBoxMin () const=0
	Get the lower corner of the container without halo.

virtual double	getCutoff () const=0
	Return the cutoff of the container.

virtual void	setCutoff (double cutoff)=0
	Set the cutoff of the container.

virtual double	getVerletSkin () const=0
	Return the verletSkin of the container verletSkin.

virtual size_t	getStepsSinceLastRebuild () const
	Return the number of time-steps since last neighbor list rebuild.

virtual void	setStepsSinceLastRebuild (size_t stepsSinceLastRebuild)
	Set the number of time-steps since last neighbor list rebuild.

virtual double	getInteractionLength () const=0
	Return the interaction length (cutoff+skin) of the container.

virtual std::vector< ParticleCell_T::ParticleType >	updateContainer (bool keepNeighborListsValid)=0
	Updates the container.

virtual TraversalSelectorInfo	getTraversalSelectorInfo () const=0
	Generates a traversal selector info for this container.

std::set< TraversalOption >	getAllTraversals (const InteractionTypeOption interactionType) const
	Generates a list of all traversals that are theoretically applicable to this container.

virtual std::tuple< const ParticleCell_T::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior) const=0
	Fetch the pointer to a particle, identified via a cell and particle index.

virtual std::tuple< const ParticleCell_T::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax) const=0
	Fetch the pointer to a particle, identified via a cell and particle index.

std::tuple< ParticleCell_T::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax)
	Fetch the pointer to a particle, identified via a cell and particle index.

std::tuple< ParticleCell_T::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior)
	Fetch the pointer to a particle, identified via a cell and particle index.

virtual bool	deleteParticle (ParticleCell_T::ParticleType &particle)=0
	Deletes the given particle as long as this does not compromise the validity of the container.

virtual bool	deleteParticle (size_t cellIndex, size_t particleIndex)=0
	Deletes the particle at the given index positions as long as this does not compromise the validity of the container.

Protected Attributes
std::vector< ParticleCellType >	_cells
	Vector of particle cells.

size_t	_sortingThreshold
	If the number of particles in a cell or cell pair exceeds this threshold, the particles will be sorted.

Protected Attributes inherited from autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >
size_t	_stepsSinceLastRebuild
	Stores the number of time-steps since last neighbor list rebuild.

double	_skin
	Skin distance a particle is allowed to move in one time-step.

Additional Inherited Members
Public Types inherited from autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >
using	ParticleType = ParticleCell_T::ParticleType
	Type of the Particle.

Protected Member Functions inherited from autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >
virtual void	addParticleImpl (const ParticleCell_T::ParticleType &p)=0
	Adds a particle to the container.

virtual void	addHaloParticleImpl (const ParticleCell_T::ParticleType &haloParticle)=0
	Adds a particle to the container that lies in the halo region of the container.

Detailed Description

template<class ParticleCell_T>
class autopas::CellBasedParticleContainer< ParticleCell_T >

The CellBasedParticleContainer class stores particles in some object and provides methods to iterate over its particles.

Template Parameters

ParticleCell_T Class for the particle cells

Constructor & Destructor Documentation

◆ CellBasedParticleContainer() [1/2]

template<class ParticleCell_T >

autopas::CellBasedParticleContainer< ParticleCell_T >::CellBasedParticleContainer	(	const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax,
		const double	cutoff,
		const double	skin,
		const size_t	sortingThreshold
	)

inline

Constructor of CellBasedParticleContainer.

Parameters

boxMin
boxMax
cutoff
skin
sortingThreshold

◆ CellBasedParticleContainer() [2/2]

template<class ParticleCell_T >

autopas::CellBasedParticleContainer< ParticleCell_T >::CellBasedParticleContainer ( const CellBasedParticleContainer< ParticleCell_T > & obj )

delete

Delete the copy constructor to prevent unwanted copies.

No particle container should ever be copied.

Parameters

obj

Member Function Documentation

◆ deleteAllParticles()

template<class ParticleCell_T >

void autopas::CellBasedParticleContainer< ParticleCell_T >::deleteAllParticles ( )

inlineoverridevirtual

Deletes all particles from the container.

Todo:: : find a sensible value for magic number numThreads should be at least 1 and maximal max_threads

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ getBoxMax()

template<class ParticleCell_T >

const std::array< double, 3 > & autopas::CellBasedParticleContainer< ParticleCell_T >::getBoxMax ( ) const

inlinefinalvirtual

Get the upper corner of the container without halo.

Returns: Upper corner of the container.

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ getBoxMin()

template<class ParticleCell_T >

const std::array< double, 3 > & autopas::CellBasedParticleContainer< ParticleCell_T >::getBoxMin ( ) const

inlinefinalvirtual

Get the lower corner of the container without halo.

Returns: Lower corner of the container.

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ getCells()

template<class ParticleCell_T >

const std::vector< ParticleCellType > & autopas::CellBasedParticleContainer< ParticleCell_T >::getCells ( ) const

inline

Get immutable vector of cells.

Returns: immutable reference to _cells

◆ getCutoff()

template<class ParticleCell_T >

double autopas::CellBasedParticleContainer< ParticleCell_T >::getCutoff ( ) const

inlinefinalvirtual

Return the cutoff of the container.

Returns: Cutoff radius.

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ getInteractionLength()

template<class ParticleCell_T >

double autopas::CellBasedParticleContainer< ParticleCell_T >::getInteractionLength ( ) const

inlinefinalvirtual

Return the interaction length (cutoff+skin) of the container.

Returns: interaction length

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ getNumberOfParticles()

template<class ParticleCell_T >

size_t autopas::CellBasedParticleContainer< ParticleCell_T >::getNumberOfParticles ( IteratorBehavior behavior ) const

inlineoverridevirtual

Get the number of particles with respect to the specified IteratorBehavior.

Warning: : Since this function counts the number of the respective particles in the internal particle storage, this is in O(n) + lock is required. Only use it when it is absolutely necessary to have the exact number of different particle types like owned or halo. If it is enough to have the whole number of particles (owned + halo + dummy), the function size() can be used.

Parameters

behavior Behavior of the iterator, see IteratorBehavior.

Returns: The number of particles with respect to the specified IteratorBehavior.

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ getVerletSkin()

template<class ParticleCell_T >

double autopas::CellBasedParticleContainer< ParticleCell_T >::getVerletSkin ( ) const

inlinefinalvirtual

Returns the verlet Skin length.

Returns: _skin

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ operator=()

template<class ParticleCell_T >

CellBasedParticleContainer & autopas::CellBasedParticleContainer< ParticleCell_T >::operator= ( const CellBasedParticleContainer< ParticleCell_T > & other )

delete

Delete the copy assignment operator to prevent unwanted copies No particle container should ever be copied.

Parameters

other

Returns

◆ setCutoff()

template<class ParticleCell_T >

void autopas::CellBasedParticleContainer< ParticleCell_T >::setCutoff ( double cutoff )

inlinefinalvirtual

Set the cutoff of the container.

Parameters

cutoff

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

◆ size()

template<class ParticleCell_T >

size_t autopas::CellBasedParticleContainer< ParticleCell_T >::size ( ) const

inlineoverridevirtual

Get the total number of particles saved in the container (owned + halo + dummy).

Returns: Number of particles saved in the container (owned + halo + dummy).

Implements autopas::ParticleContainerInterface< ParticleCell_T::ParticleType >.

Member Data Documentation

◆ _cells

template<class ParticleCell_T >

std::vector<ParticleCellType> autopas::CellBasedParticleContainer< ParticleCell_T >::_cells

protected

Vector of particle cells.

All particle containers store their particles in ParticleCells. This is the common vector for this purpose.

◆ _sortingThreshold

template<class ParticleCell_T >

size_t autopas::CellBasedParticleContainer< ParticleCell_T >::_sortingThreshold

protected

If the number of particles in a cell or cell pair exceeds this threshold, the particles will be sorted.

To be forwarded to cell traversals.

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

autopas/containers/CellBasedParticleContainer.h

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CellBasedParticleContainer() [1/2]

◆ CellBasedParticleContainer() [2/2]

Member Function Documentation

◆ deleteAllParticles()

◆ getBoxMax()

◆ getBoxMin()

◆ getCells()

◆ getCutoff()

◆ getInteractionLength()

◆ getNumberOfParticles()

◆ getVerletSkin()

◆ operator=()

◆ setCutoff()

◆ size()

Member Data Documentation

◆ _cells

◆ _sortingThreshold