This functor generates lists of particles within interactionLength of each other: can be used internally for Verlet list generation and provides a base for a public-facing externally used version, provided in the applicationLibrary. More...

#include <InteractionListGeneratorFunctor.h>

Inheritance diagram for autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >:

[legend]

Collaboration diagram for autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >:

[legend]

Public Types
using	SoAArraysType = Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

using	NeighborListAoSType = std::unordered_map< Particle_T , std::vector< Particle_T > >
	Neighbor list AoS style.

Public Types inherited from autopas::PairwiseFunctor< Particle_T, CRTP_T >
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

Public Types inherited from autopas::Functor< Particle_T, CRTP_T >
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

using	Functor_T = CRTP_T
	Make the Implementation type template publicly available.

Public Member Functions
	InteractionListGeneratorFunctor (NeighborListAoSType &neighborListsAoS, double interactionLength, bool gatherNewton3Lists)
	Constructor.

std::string	getName () override

template<class ParticleIterator_T >
void	initializeNeighborList (ParticleIterator_T particlesBegin)
	Initializes the neighbor list map for the given range of particles: clears any previous contents and inserts an empty neighbor list for every particle.

bool	isRelevantForTuning () override
	Whether particle is relevant for tuning.

bool	allowsNewton3 () override
	Whether InteractionListGeneratorFunctor allows Newton3.

bool	allowsNonNewton3 () override
	Whether InteractionListGeneratorFunctor allows non-newton3.

void	AoSFunctor (Particle_T &i, Particle_T &j, bool newton3) override
	AoSFunctor for interaction list generation.

void	SoAFunctorSingle (SoAView< SoAArraysType > soa, bool) override
	SoAFunctor for verlet list generation.

void	SoAFunctorPair (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, bool newton3) override
	SoAFunctor for the verlet list generation.

void	SoAFunctorVerlet (SoAView< SoAArraysType > soa, const size_t indexFirst, const std::vector< size_t, AlignedAllocator< size_t > > &verletList, bool newton3) override
	SoAFunctorVerlet for interaction list generation.

Public Member Functions inherited from autopas::PairwiseFunctor< Particle_T, CRTP_T >
	PairwiseFunctor (double cutoff)
	Constructor.

virtual void	AoSFunctor (Particle_T &i, Particle_T &j, bool newton3)
	PairwiseFunctor for arrays of structures (AoS).

virtual void	SoAFunctorSingle (SoAView< SoAArraysType > soa, bool newton3)
	PairwiseFunctor for structure of arrays (SoA)

virtual void	SoAFunctorVerlet (SoAView< SoAArraysType > soa, const size_t indexFirst, const std::vector< size_t, AlignedAllocator< size_t > > &neighborList, bool newton3)
	PairwiseFunctor for structure of arrays (SoA) for neighbor lists.

virtual void	SoAFunctorPair (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, bool newton3)
	PairwiseFunctor for structure of arrays (SoA)

virtual void	SoAFunctorPairSorted (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, const SoASortingData &sortingData, bool newton3)
	SoAFunctorPair on pre-sorted, pre-packed SoA views.

bool	isVecPatternAllowed (const VectorizationPatternOption::Value vecPattern) override
	Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

Public Member Functions inherited from autopas::Functor< Particle_T, CRTP_T >
	Functor (double cutoff)
	Constructor.

virtual void	initTraversal ()
	This function is called at the start of each traversal.

virtual void	endTraversal (bool newton3)
	This function is called at the end of each traversal.

template<class ParticleCell >
void	SoALoader (ParticleCell &cell, SoA< SoAArraysType > &soa, size_t offset, bool skipSoAResize)
	Copies the AoS data of the given cell in the given soa.

template<typename ParticleCell >
void	SoAExtractor (ParticleCell &cell, SoA< SoAArraysType > &soa, size_t offset)
	Copies the data stored in the soa back into the cell.

virtual bool	allowsNewton3 ()=0
	Specifies whether the functor is capable of Newton3-like functors.

virtual bool	allowsNonNewton3 ()=0
	Specifies whether the functor is capable of non-Newton3-like functors.

virtual bool	isVecPatternAllowed (const VectorizationPatternOption::Value vecPattern)=0
	Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

virtual bool	isRelevantForTuning ()=0
	Specifies whether the functor should be considered for the auto-tuning process.

virtual std::string	getName ()=0
	Returns name of functor.

double	getCutoff () const
	Getter for the functor's cutoff.

virtual void	setVecPattern (const VectorizationPatternOption::Value vecPattern)
	Setter for the vectorization pattern to be used.

virtual size_t	getNumFLOPs () const
	Get the number of FLOPs.

virtual double	getHitRate () const
	Get the hit rate.

Static Public Member Functions
static constexpr std::array< typename Particle_T::AttributeNames, 5 >	getNeededAttr ()
	Get attributes needed for computation.

static constexpr std::array< typename Particle_T::AttributeNames, 5 >	getNeededAttr (std::false_type)
	Get attributes needed for computation without N3 optimization.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getComputedAttr ()
	Get attributes computed by this functor.

Static Public Member Functions inherited from autopas::Functor< Particle_T, CRTP_T >
static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getNeededAttr ()
	Get attributes needed for computation.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getNeededAttr (std::false_type)
	Get attributes needed for computation without N3 optimization.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getComputedAttr ()
	Get attributes computed by this functor.

Additional Inherited Members
Static Public Attributes inherited from autopas::Functor< Particle_T, CRTP_T >
static constexpr bool	supportsSoASorting = false
	Whether this functor supports the SortedSoAView optimization path (SoAFunctorPairSorted).

Detailed Description

template<class Particle_T, bool isInternal = false>
class autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >

This functor generates lists of particles within interactionLength of each other: can be used internally for Verlet list generation and provides a base for a public-facing externally used version, provided in the applicationLibrary.

After applying AutoPas's computeInteractions function with this functor, a std::unordered_map<Particle_T *, std::vector<Particle_T *>> is filled, mapping from each particle pointer to a vector of pointers to all particles within interactionLength of the first.

Template Parameters

Particle_T	The type of Particle class used.
isInternal	Should be set true if used internally within AutoPas. Makes the functor irrelevant for tuning.

Constructor & Destructor Documentation

◆ InteractionListGeneratorFunctor()

template<class Particle_T , bool isInternal = false>

autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::InteractionListGeneratorFunctor	(	NeighborListAoSType &	neighborListsAoS,
		double	interactionLength,
		bool	gatherNewton3Lists
	)

inline

Constructor.

Parameters

neighborListsAoS	Reference to the neighbor list map. Must be initialized before the actual functor calls but, if used with computeInteractions, this will be handled automatically (this will override anything in the list).
interactionLength	The distance between particles within which particle pairs get added to the neighbor lists.
gatherNewton3Lists	If false, for a particle pair i, j that are neighbors, both particle j will be in particle i's list and particle i will be in particle j's list. If true, for a particle pair i, j that are neighbors, either particle j will be in particle i's list or particle i will be in particle j's list. The latter can be used more easily to reduce calculations by applying forces to both particles in the pair, but care should be taken to avoid race conditions. If true, we make no guarantee which of particle i or j will be in the other's list. If true, this functor will only allow functor calls with newton3 enabled.

Member Function Documentation

◆ allowsNewton3()

template<class Particle_T , bool isInternal = false>

bool autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::allowsNewton3 ( )

inlineoverridevirtual

Whether InteractionListGeneratorFunctor allows Newton3.

Is always allowed.

Returns

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ allowsNonNewton3()

template<class Particle_T , bool isInternal = false>

bool autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::allowsNonNewton3 ( )

inlineoverridevirtual

Whether InteractionListGeneratorFunctor allows non-newton3.

This is not allowed if gathering N3 lists. (Not a fundamental issue but messy implementation and not really needed).

Returns

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ AoSFunctor()

template<class Particle_T , bool isInternal = false>

void autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::AoSFunctor	(	Particle_T &	i,
		Particle_T &	j,
		bool	newton3
	)

inlineoverridevirtual

AoSFunctor for interaction list generation.

Parameters

i
j
newton3	Whether AutoPas is using N3 or not for list generation. This is regardless of whether the user requests N3 lists or not. If this and gatherNewton3Lists match, the handling is trivial. If newton3=true and gatherNewton3Lists=false, we just add each particle to each other's list. We do not allow newton3=false with gatherNewton3Lists=true - there are no fundamental issues with this but messy to implement and probably not too needed.

Reimplemented from autopas::PairwiseFunctor< Particle_T, CRTP_T >.

◆ getComputedAttr()

template<class Particle_T , bool isInternal = false>

static constexpr std::array< typename Particle_T::AttributeNames, 0 > autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::getComputedAttr ( )

inlinestaticconstexpr

Get attributes computed by this functor.

Returns: Attributes computed by this functor.

Todo:: C++20: make this function virtual

◆ getName()

template<class Particle_T , bool isInternal = false>

std::string autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::getName ( )

inlineoverridevirtual

Returns: The name of the functor

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ getNeededAttr() [1/2]

template<class Particle_T , bool isInternal = false>

static constexpr std::array< typename Particle_T::AttributeNames, 5 > autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::getNeededAttr ( )

inlinestaticconstexpr

Get attributes needed for computation.

Returns: Attributes needed for computation.

Todo:: C++20: make this function virtual

◆ getNeededAttr() [2/2]

template<class Particle_T , bool isInternal = false>

static constexpr std::array< typename Particle_T::AttributeNames, 5 > autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::getNeededAttr ( std::false_type )

inlinestaticconstexpr

Get attributes needed for computation without N3 optimization.

Returns: Attributes needed for computation.

Todo:: C++20: make this function virtual

◆ initializeNeighborList()

template<class Particle_T , bool isInternal = false>

template<class ParticleIterator_T >

void autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::initializeNeighborList ( ParticleIterator_T particlesBegin )

inline

Initializes the neighbor list map for the given range of particles: clears any previous contents and inserts an empty neighbor list for every particle.

This must happen before the functor is applied, and it must also happen after any particle rearrangement in memory. AutoPas's computeInteractions() calls this automatically when this functor (or a child of it) is used, so the handling of the list is safe when used with computeInteractions.

Template Parameters

ParticleIterator_T Type of the particle iterator

Parameters

particlesBegin Iterator to the first particle. Iterated until no longer valid.

◆ isRelevantForTuning()

template<class Particle_T , bool isInternal = false>

bool autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::isRelevantForTuning ( )

inlineoverridevirtual

Whether particle is relevant for tuning.

True, unless functor used internally.

Returns

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ SoAFunctorPair()

template<class Particle_T , bool isInternal = false>

void autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::SoAFunctorPair	(	SoAView< SoAArraysType >	soa1,
		SoAView< SoAArraysType >	soa2,
		bool	newton3
	)

inlineoverridevirtual

SoAFunctor for the verlet list generation.

(two cell version)

Parameters

soa1	soa of first cell
soa2	soa of second cell
newton3	Whether AutoPas is using N3 or not for list generation. This is regardless of whether the user requests N3 lists or not. If this and gatherNewton3Lists match, the handling is trivial. If newton3=true and gatherNewton3Lists=false, we just add each particle to each other's list. We do not allow newton3=false with gatherNewton3Lists=true - there are no fundamental issues with this but messy to implement and probably not too needed.

Reimplemented from autopas::PairwiseFunctor< Particle_T, CRTP_T >.

◆ SoAFunctorSingle()

template<class Particle_T , bool isInternal = false>

void autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::SoAFunctorSingle	(	SoAView< SoAArraysType >	soa,
		bool
	)

inlineoverridevirtual

SoAFunctor for verlet list generation.

(single cell version)

Parameters

soa the soa

Reimplemented from autopas::PairwiseFunctor< Particle_T, CRTP_T >.

◆ SoAFunctorVerlet()

template<class Particle_T , bool isInternal = false>

void autopas::InteractionListGeneratorFunctor< Particle_T, isInternal >::SoAFunctorVerlet	(	SoAView< SoAArraysType >	soa,
		const size_t	indexFirst,
		const std::vector< size_t, AlignedAllocator< size_t > > &	verletList,
		bool	newton3
	)

inlineoverridevirtual

SoAFunctorVerlet for interaction list generation.

Generates interaction list entries for the particle at index indexFirst in soa and every potential neighbor given by the Verlet list.

Parameters

soa	the soa
indexFirst	index of the particle whose neighbors are given in verletList
verletList	indices of the potential neighbors of indexFirst
newton3	Whether AutoPas is using N3 or not for list generation. This is regardless of whether the user requests N3 lists or not. If this and gatherNewton3Lists match, the handling is trivial. If newton3=true and gatherNewton3Lists=false, we just add each particle to each other's list. We do not allow newton3=false with gatherNewton3Lists=true - there are no fundamental issues with this but messy to implement and probably not too needed.

Reimplemented from autopas::PairwiseFunctor< Particle_T, CRTP_T >.

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

autopas/baseFunctors/InteractionListGeneratorFunctor.h

Public Types

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ InteractionListGeneratorFunctor()

Member Function Documentation

◆ allowsNewton3()

◆ allowsNonNewton3()

◆ AoSFunctor()

◆ getComputedAttr()

◆ getName()

◆ getNeededAttr() [1/2]

◆ getNeededAttr() [2/2]

◆ initializeNeighborList()

◆ isRelevantForTuning()

◆ SoAFunctorPair()

◆ SoAFunctorSingle()

◆ SoAFunctorVerlet()