The ParticleContainerInterface class provides a basic interface for all Containers within AutoPas. More...

#include <ParticleContainerInterface.h>

Inheritance diagram for autopas::ParticleContainerInterface< Particle_T >:

[legend]

Public Types
using	ParticleType = Particle_T
	Type of the Particle.

Public Member Functions
virtual CellType	getParticleCellTypeEnum () const =0
	Get the ParticleCell type as an Enum.

	ParticleContainerInterface (double skin)
	Constructor.

virtual	~ParticleContainerInterface ()=default
	Destructor of ParticleContainerInterface.

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

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.

template<bool checkInBox = true>
void	addParticle (const Particle_T &p)
	Adds a particle to the container.

template<bool checkInBox = true>
void	addHaloParticle (const Particle_T &haloParticle)
	Adds a particle to the container that lies in the halo region of the container.

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

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

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

virtual ContainerIterator< ParticleType, true, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< 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< ParticleType, false, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< 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< 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 Particle_T *, 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 Particle_T *, 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< Particle_T *, 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< Particle_T *, 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 (Particle_T &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 Member Functions
virtual void	addParticleImpl (const Particle_T &p)=0
	Adds a particle to the container.

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

Protected Attributes
size_t	_stepsSinceLastRebuild {0}
	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.

Detailed Description

template<class Particle_T>
class autopas::ParticleContainerInterface< Particle_T >

The ParticleContainerInterface class provides a basic interface for all Containers within AutoPas.

It defines method interfaces for addition and deletion of particles, accessing general container properties and creating iterators.

Template Parameters

Particle_T Class for particle.

Constructor & Destructor Documentation

◆ ParticleContainerInterface() [1/2]

template<class Particle_T >

autopas::ParticleContainerInterface< Particle_T >::ParticleContainerInterface ( double skin )

inline

Constructor.

Parameters

skin	Skin distance a particle is allowed to move.

◆ ParticleContainerInterface() [2/2]

template<class Particle_T >

autopas::ParticleContainerInterface< Particle_T >::ParticleContainerInterface ( const ParticleContainerInterface< Particle_T > & obj )

delete

Delete the copy constructor to prevent unwanted copies.

No particle container should ever be copied.

Parameters

obj

Member Function Documentation

◆ addHaloParticle()

template<class Particle_T >

template<bool checkInBox = true>

void autopas::ParticleContainerInterface< Particle_T >::addHaloParticle ( const Particle_T & haloParticle )

inline

Adds a particle to the container that lies in the halo region of the container.

Parameters

haloParticle Particle to be added.

Template Parameters

checkInBox Specifies whether a boundary check should be performed. Only disable this if the check has already been performed.

Todo:: do we want a check of the particle not being too far away in here as well?

◆ addHaloParticleImpl()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::addHaloParticleImpl ( const Particle_T & haloParticle )

protectedpure virtual

Adds a particle to the container that lies in the halo region of the container.

This is an unsafe version of addParticle() and does not perform a boundary check.

Parameters

haloParticle Particle to be added. This particle is already checked to be outside of the bounding box.

Note: Only call this function if the position of the particle is guaranteed to be outside of the bounding box!

Implemented in autopas::VerletClusterLists< Particle_T >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, and autopas::LinkedCellsReferences< Particle_T >.

◆ addParticle()

template<class Particle_T >

template<bool checkInBox = true>

void autopas::ParticleContainerInterface< Particle_T >::addParticle ( const Particle_T & p )

inline

Adds a particle to the container.

Template Parameters

checkInBox Specifies whether a boundary check should be performed. Only disable this if the check has already been performed.

Parameters

p	The particle to be added.

◆ addParticleImpl()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::addParticleImpl ( const Particle_T & p )

protectedpure virtual

Adds a particle to the container.

This is an unsafe version of addParticle() and does not perform a boundary check.

Parameters

p	The particle to be added. This particle is already checked to be inside of the bounding box.

Note: Only call this function if the position of the particle is guaranteed to be inside of the bounding box!

Implemented in autopas::VerletClusterLists< Particle_T >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, and autopas::LinkedCellsReferences< Particle_T >.

◆ begin() [1/2]

template<class Particle_T >

virtual ContainerIterator< ParticleType, false, false > autopas::ParticleContainerInterface< Particle_T >::begin	(	IteratorBehavior	behavior = `autopas::IteratorBehavior::ownedOrHalo`,
		typename ContainerIterator< ParticleType, false, false >::ParticleVecType *	additionalVectors = `nullptr`
	)		const

pure virtual

Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

Note: The default argument for behavior is necessary to enable range based for loops.

Parameters

behavior	Behavior of the iterator, see IteratorBehavior.
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to the first particle.

Note: const version

Implemented in autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ begin() [2/2]

template<class Particle_T >

virtual ContainerIterator< ParticleType, true, false > autopas::ParticleContainerInterface< Particle_T >::begin	(	IteratorBehavior	behavior = `autopas::IteratorBehavior::ownedOrHalo`,
		typename ContainerIterator< ParticleType, true, false >::ParticleVecType *	additionalVectors = `nullptr`
	)

pure virtual

Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

Note: The default argument for behavior is necessary to enable range based for loops.

Parameters

behavior	Behavior of the iterator, see IteratorBehavior.
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to the first particle.

Implemented in autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ cbegin()

template<class Particle_T >

virtual ContainerIterator< ParticleType, false, false > autopas::ParticleContainerInterface< Particle_T >::cbegin	(	IteratorBehavior	behavior = `autopas::IteratorBehavior::ownedOrHalo`,
		typename ContainerIterator< ParticleType, false, false >::ParticleVecType *	additionalVectors = `nullptr`
	)		const

inlinefinalvirtual

Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

Note: The default argument for behavior is necessary to enable range based for loops.

Parameters

behavior	Behavior of the iterator, see IteratorBehavior.
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to the first particle.

Note: cbegin will guarantee to return a const_iterator.

◆ computeInteractions()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::computeInteractions ( TraversalInterface * traversal )

pure virtual

Iterates over all particle multiples (e.g.

pairs, triplets) in the container using the given traversal.

Parameters

traversal The traversal to use for the iteration.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::VarVerletLists< Particle_T, NeighborList >, autopas::VerletLists< Particle_T >, and autopas::VerletListsCells< Particle_T, NeighborList >.

◆ deleteAllParticles()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::deleteAllParticles ( )

pure virtual

Deletes all particles.

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ deleteHaloParticles()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::deleteHaloParticles ( )

pure virtual

Deletes all halo particles.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ deleteParticle() [1/2]

template<class Particle_T >

virtual bool autopas::ParticleContainerInterface< Particle_T >::deleteParticle ( Particle_T & particle )

pure virtual

Deletes the given particle as long as this does not compromise the validity of the container.

If this is not possible the particle is just marked as deleted.

Note: This function might be implemented via swap-delete and is thus not completely thread safe.

Parameters

particle Reference to the particle that is to be deleted.

Returns: True if the given pointer still points to a new particle.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletListsLinkedBase< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ deleteParticle() [2/2]

template<class Particle_T >

virtual bool autopas::ParticleContainerInterface< Particle_T >::deleteParticle	(	size_t	cellIndex,
		size_t	particleIndex
	)

pure virtual

Deletes the particle at the given index positions as long as this does not compromise the validity of the container.

If this is not possible the particle is just marked as deleted. If the positions do not exist the behavior is undefined.

Parameters

cellIndex
particleIndex

Returns: True if the given indices still point to a new particle.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ end()

template<class Particle_T >

constexpr bool autopas::ParticleContainerInterface< Particle_T >::end ( ) const

inlineconstexpr

Dummy to make range-based for loops work.

Range-Based for loops use the incremented begin() expression and compare it against the end() expression. ContainerIterator implements ContainerIterator::operator==() that accepts a bool as right hand side argument, which is triggered by this end() function. This operator then proceeds to check the validity of the iterator itself.

Returns: false

◆ getAllTraversals()

template<class Particle_T >

std::set< TraversalOption > autopas::ParticleContainerInterface< Particle_T >::getAllTraversals ( const InteractionTypeOption interactionType ) const

inline

Generates a list of all traversals that are theoretically applicable to this container.

Traversals might still be not applicable for other reasons so call traversal.isApplicable to be safe!

Parameters

interactionType interaction type for which to get all traversals

Returns: Vector of traversal options.

◆ getBoxMax()

template<class Particle_T >

virtual const std::array< double, 3 > & autopas::ParticleContainerInterface< Particle_T >::getBoxMax ( ) const

pure virtual

Get the upper corner of the container without halo.

Returns: Upper corner of the container.

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< Particle_T >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ getBoxMin()

template<class Particle_T >

virtual const std::array< double, 3 > & autopas::ParticleContainerInterface< Particle_T >::getBoxMin ( ) const

pure virtual

Get the lower corner of the container without halo.

Returns: Lower corner of the container.

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< Particle_T >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ getContainerType()

template<class Particle_T >

virtual ContainerOption autopas::ParticleContainerInterface< Particle_T >::getContainerType ( ) const

pure virtual

Get the ContainerType.

Returns: ContainerOption of the type of this container.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::VarVerletLists< Particle_T, NeighborList >, autopas::VerletLists< Particle_T >, and autopas::VerletListsCells< Particle_T, NeighborList >.

◆ getCutoff()

template<class Particle_T >

virtual double autopas::ParticleContainerInterface< Particle_T >::getCutoff ( ) const

pure virtual

Return the cutoff of the container.

Returns: Cutoff radius.

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< Particle_T >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ getInteractionLength()

template<class Particle_T >

virtual double autopas::ParticleContainerInterface< Particle_T >::getInteractionLength ( ) const

pure virtual

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

Returns: interaction length

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< Particle_T >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ getNumberOfParticles()

template<class Particle_T >

virtual size_t autopas::ParticleContainerInterface< Particle_T >::getNumberOfParticles ( IteratorBehavior behavior = IteratorBehavior::owned ) const

pure virtual

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.

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ getParticle() [1/4]

template<class Particle_T >

std::tuple< Particle_T *, size_t, size_t > autopas::ParticleContainerInterface< Particle_T >::getParticle	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior
	)

inline

Fetch the pointer to a particle, identified via a cell and particle index.

These indices are only meaningful in the context of the current container at its current state. The same indices might (and probably will) yield different particles for different container types or might not even exist. The only guarantee is that the indices {0,0} yield the first particle in the container that satisfies the iterator requirements.

Note: This function should handle any offsets if used in a parallel iterator.

Parameters

cellIndex	Index of the cell the particle is located in.
particleIndex	Particle index within the cell.
iteratorBehavior	Which ownership states should be considered for the next particle.

Returns: Pointer to the particle and its indices. tuple<Particle_T*, cellIndex, particleIndex> If a index pair is given that does not exist but is also not beyond the last cell, the next fitting particle shall be returned. Example: If [4,2] does not exist, [5,1] shall be returned (or whatever is the next particle that fulfills the iterator requirements). If there is no next fitting particle {nullptr, 0, 0} is returned.

Note: non-const non-region iter version

◆ getParticle() [2/4]

template<class Particle_T >

virtual std::tuple< const Particle_T *, size_t, size_t > autopas::ParticleContainerInterface< Particle_T >::getParticle	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior
	)		const

pure virtual

Fetch the pointer to a particle, identified via a cell and particle index.

These indices are only meaningful in the context of the current container at its current state. The same indices might (and probably will) yield different particles for different container types or might not even exist. The only guarantee is that the indices {0,0} yield the first particle in the container that satisfies the iterator requirements.

Note: This function should handle any offsets if used in a parallel iterator.

Parameters

cellIndex	Index of the cell the particle is located in.
particleIndex	Particle index within the cell.
iteratorBehavior	Which ownership states should be considered for the next particle.

Returns: Pointer to the particle and its indices. tuple<Particle_T*, cellIndex, particleIndex> If a index pair is given that does not exist but is also not beyond the last cell, the next fitting particle shall be returned. Example: If [4,2] does not exist, [5,1] shall be returned (or whatever is the next particle that fulfills the iterator requirements). If there is no next fitting particle {nullptr, 0, 0} is returned.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ getParticle() [3/4]

template<class Particle_T >

std::tuple< Particle_T *, size_t, size_t > autopas::ParticleContainerInterface< Particle_T >::getParticle	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior,
		const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax
	)

inline

Fetch the pointer to a particle, identified via a cell and particle index.

These indices are only meaningful in the context of the current container at its current state. The same indices might (and probably will) yield different particles for different container types or might not even exist. The only guarantee is that the indices {0,0} yield the first particle in the container that satisfies the iterator requirements.

Note: This function should handle any offsets if used in a parallel iterator.

Parameters

cellIndex	Index of the cell the particle is located in.
particleIndex	Particle index within the cell.
iteratorBehavior	Which ownership states should be considered for the next particle.

Returns: Pointer to the particle and its indices. tuple<Particle_T*, cellIndex, particleIndex> If a index pair is given that does not exist but is also not beyond the last cell, the next fitting particle shall be returned. Example: If [4,2] does not exist, [5,1] shall be returned (or whatever is the next particle that fulfills the iterator requirements). If there is no next fitting particle {nullptr, 0, 0} is returned.

Parameters

boxMin	start of region in which the next particle should be. The coordinates are expected to be within the domain.
boxMax	end of region in which the next particle should be. The coordinates are expected to be within the domain.

Note: non-const region iter version

◆ getParticle() [4/4]

template<class Particle_T >

virtual std::tuple< const Particle_T *, size_t, size_t > autopas::ParticleContainerInterface< Particle_T >::getParticle	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior,
		const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax
	)		const

pure virtual

Fetch the pointer to a particle, identified via a cell and particle index.

These indices are only meaningful in the context of the current container at its current state. The same indices might (and probably will) yield different particles for different container types or might not even exist. The only guarantee is that the indices {0,0} yield the first particle in the container that satisfies the iterator requirements.

Note: This function should handle any offsets if used in a parallel iterator.

Parameters

cellIndex	Index of the cell the particle is located in.
particleIndex	Particle index within the cell.
iteratorBehavior	Which ownership states should be considered for the next particle.

Returns: Pointer to the particle and its indices. tuple<Particle_T*, cellIndex, particleIndex> If a index pair is given that does not exist but is also not beyond the last cell, the next fitting particle shall be returned. Example: If [4,2] does not exist, [5,1] shall be returned (or whatever is the next particle that fulfills the iterator requirements). If there is no next fitting particle {nullptr, 0, 0} is returned.

Parameters

boxMin	start of region in which the next particle should be. The coordinates are expected to be within the domain.
boxMax	end of region in which the next particle should be. The coordinates are expected to be within the domain.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ getParticleCellTypeEnum()

template<class Particle_T >

virtual CellType autopas::ParticleContainerInterface< Particle_T >::getParticleCellTypeEnum ( ) const

pure virtual

Get the ParticleCell type as an Enum.

Returns: The Cell type as an Enum

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ getRegionIterator() [1/2]

template<class Particle_T >

virtual ContainerIterator< ParticleType, false, true > autopas::ParticleContainerInterface< Particle_T >::getRegionIterator	(	const std::array< double, 3 > &	lowerCorner,
		const std::array< double, 3 > &	higherCorner,
		IteratorBehavior	behavior,
		typename ContainerIterator< ParticleType, false, true >::ParticleVecType *	additionalVectors = `nullptr`
	)		const

pure virtual

Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

Parameters

lowerCorner	Lower corner of the region
higherCorner	Higher corner of the region
behavior	The behavior of the iterator (shall it iterate over halo particles as well?).
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to iterate over all particles in a specific region.

Note: const version

Implemented in autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, and autopas::LinkedCellsReferences< Particle_T >.

◆ getRegionIterator() [2/2]

template<class Particle_T >

virtual ContainerIterator< ParticleType, true, true > autopas::ParticleContainerInterface< Particle_T >::getRegionIterator	(	const std::array< double, 3 > &	lowerCorner,
		const std::array< double, 3 > &	higherCorner,
		IteratorBehavior	behavior,
		typename ContainerIterator< ParticleType, true, true >::ParticleVecType *	additionalVectors = `nullptr`
	)

pure virtual

Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

Parameters

lowerCorner	Lower corner of the region
higherCorner	Higher corner of the region
behavior	The behavior of the iterator (shall it iterate over halo particles as well?).
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to iterate over all particles in a specific region.

Implemented in autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, and autopas::LinkedCellsReferences< Particle_T >.

◆ getStepsSinceLastRebuild()

template<class Particle_T >

virtual size_t autopas::ParticleContainerInterface< Particle_T >::getStepsSinceLastRebuild ( ) const

inlinevirtual

Return the number of time-steps since last neighbor list rebuild.

Note: : The value has to be set by setStepsSinceLastRebuild() from outside the container. Otherwise this will always return 0

Returns: steps since last rebuild

◆ getTraversalSelectorInfo()

template<class Particle_T >

virtual TraversalSelectorInfo autopas::ParticleContainerInterface< Particle_T >::getTraversalSelectorInfo ( ) const

pure virtual

Generates a traversal selector info for this container.

Returns: Traversal selector info for this container.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ getVerletSkin()

template<class Particle_T >

virtual double autopas::ParticleContainerInterface< Particle_T >::getVerletSkin ( ) const

pure virtual

Return the verletSkin of the container verletSkin.

Returns: verletSkin

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< Particle_T >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ operator=()

template<class Particle_T >

ParticleContainerInterface & autopas::ParticleContainerInterface< Particle_T >::operator= ( const ParticleContainerInterface< Particle_T > & other )

delete

Delete the copy assignment operator to prevent unwanted copies.

No particle container should ever be copied.

Parameters

other

Returns

◆ rebuildNeighborLists()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::rebuildNeighborLists ( TraversalInterface * traversal )

pure virtual

Rebuilds the neighbor lists for the next traversals.

Parameters

traversal The used traversal.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::VarVerletLists< Particle_T, NeighborList >, autopas::VerletLists< Particle_T >, and autopas::VerletListsCells< Particle_T, NeighborList >.

◆ reserve()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::reserve	(	size_t	numParticles,
		size_t	numParticlesHaloEstimate
	)

pure virtual

Reserve memory for a given number of particles in the container and logic layers.

This function assumes a uniform distribution of particles throughout the domain. For example, this means that in a LinkedCells Container in each cell vector.reserve(numParticles/numCells) is called.

Note: This functions will create an estimate for the number of halo particles.

Parameters

numParticles	No buffer factor is applied. It is probably wise to slightly over-reserve to account for imbalance or particle movement.
numParticlesHaloEstimate	Estimate for the number of halo particles. Reserves space in the container data structure.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ setCutoff()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::setCutoff ( double cutoff )

pure virtual

Set the cutoff of the container.

Parameters

cutoff

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< Particle_T >, and autopas::VerletClusterLists< ParticleCell::ParticleType >.

◆ setStepsSinceLastRebuild()

template<class Particle_T >

virtual void autopas::ParticleContainerInterface< Particle_T >::setStepsSinceLastRebuild ( size_t stepsSinceLastRebuild )

inlinevirtual

Set the number of time-steps since last neighbor list rebuild.

Parameters

stepsSinceLastRebuild steps since last neighbor list rebuild

Reimplemented in autopas::VerletListsLinkedBase< Particle_T >.

◆ size()

template<class Particle_T >

virtual size_t autopas::ParticleContainerInterface< Particle_T >::size ( ) const

pure virtual

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

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

Implemented in autopas::CellBasedParticleContainer< ParticleCell >, autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< ReferenceParticleCell< Particle_T > >, autopas::CellBasedParticleContainer< OctreeNodeWrapper< Particle_T > >, autopas::CellBasedParticleContainer< FullParticleCell< ParticleCell::ParticleType > >, autopas::Octree< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, and autopas::VerletListsLinkedBase< Particle_T >.

◆ updateContainer()

template<class Particle_T >

virtual std::vector< ParticleType > autopas::ParticleContainerInterface< Particle_T >::updateContainer ( bool keepNeighborListsValid )

pure virtual

Updates the container.

This deletes halo particles, resorts particles into appropriate cells and might remove particles from the container, if necessary.

Parameters

keepNeighborListsValid Defines whether the neighbor lists have to be kept valid.

Returns: A vector of invalid particles that do not belong into the container.

Implemented in autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, autopas::LinkedCellsReferences< Particle_T >, autopas::VerletClusterLists< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::VerletListsLinkedBase< Particle_T >, and autopas::Octree< Particle_T >.

◆ updateHaloParticle()

template<class Particle_T >

virtual bool autopas::ParticleContainerInterface< Particle_T >::updateHaloParticle ( const Particle_T & haloParticle )

pure virtual

Update a halo particle of the container with the given haloParticle.

Parameters

haloParticle Particle to be updated.

Returns: Returns true if the particle was updated, false if no particle could be found.

Implemented in autopas::VerletClusterLists< Particle_T >, autopas::VerletListsLinkedBase< Particle_T >, autopas::VerletClusterLists< ParticleCell::ParticleType >, autopas::DirectSum< Particle_T >, autopas::LinkedCells< Particle_T >, autopas::LinkedCells< ParticleCell::ParticleType >, and autopas::LinkedCellsReferences< Particle_T >.

Member Data Documentation

◆ _stepsSinceLastRebuild

template<class Particle_T >

size_t autopas::ParticleContainerInterface< Particle_T >::_stepsSinceLastRebuild {0}

protected

Stores the number of time-steps since last neighbor list rebuild.

Note: : The value has to be set by setStepsSinceLastRebuild() from outside the container. Otherwise this will always be 0

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

autopas/containers/ParticleContainerInterface.h

Public Types

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ ParticleContainerInterface() [1/2]

◆ ParticleContainerInterface() [2/2]

Member Function Documentation

◆ addHaloParticle()

◆ addHaloParticleImpl()

◆ addParticle()

◆ addParticleImpl()

◆ begin() [1/2]

◆ begin() [2/2]

◆ cbegin()

◆ computeInteractions()

◆ deleteAllParticles()

◆ deleteHaloParticles()

◆ deleteParticle() [1/2]

◆ deleteParticle() [2/2]

◆ end()

◆ getAllTraversals()

◆ getBoxMax()

◆ getBoxMin()

◆ getContainerType()

◆ getCutoff()

◆ getInteractionLength()

◆ getNumberOfParticles()

◆ getParticle() [1/4]

◆ getParticle() [2/4]

◆ getParticle() [3/4]

◆ getParticle() [4/4]

◆ getParticleCellTypeEnum()

◆ getRegionIterator() [1/2]

◆ getRegionIterator() [2/2]

◆ getStepsSinceLastRebuild()

◆ getTraversalSelectorInfo()

◆ getVerletSkin()

◆ operator=()

◆ rebuildNeighborLists()

◆ reserve()

◆ setCutoff()

◆ setStepsSinceLastRebuild()

◆ size()

◆ updateContainer()

◆ updateHaloParticle()

Member Data Documentation

◆ _stepsSinceLastRebuild