autopas::Functor< Particle_T, CRTP_T > Class Template Reference

Functor base class. More...

#include <Functor.h>

Inheritance diagram for autopas::Functor< Particle_T, CRTP_T >:

Public Types
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
	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, 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.

Detailed Description

template<class Particle_T, class CRTP_T>
class autopas::Functor< Particle_T, CRTP_T >

Functor base class.

Both an array of structure (AoS) and a structure of array (SoA) are supported to be used with functors. Newton3: A functor does not have to implement both a newton3 and a non-newton3 version. Instead you can specify, which version you use by overriding allowsNonNewton3 resp. allowsNewton3

Template Parameters

Particle_T	the type of Particle
CRTP_T	the actual type of the functor

Constructor & Destructor Documentation

Functor()

template<class Particle_T , class CRTP_T >

autopas::Functor< Particle_T, CRTP_T >::Functor ( double  cutoff )

inlineexplicit

Constructor.

Parameters

cutoff

Member Function Documentation

allowsNewton3()

template<class Particle_T , class CRTP_T >

virtual bool autopas::Functor< Particle_T, CRTP_T >::allowsNewton3 ( )

pure virtual

Specifies whether the functor is capable of Newton3-like functors.

If the functor provides an interface to soa or aos functions that utilize Newton's third law of motion (actio = reactio) to reduce the computational complexity this function should return true. If this is not the case this function should return false.

Returns

true if and only if this functor provides an interface to Newton3-like functions.

Implemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorAVX< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorHWY< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorSVE< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJMultisiteFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, sphLib::SPHCalcDensityFunctor< Particle_T >, sphLib::SPHCalcHydroForceFunctor< Particle_T >, autopas::internal::AsBuildPairGeneratorFunctor< Particle_T, callCheckInstead >, autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor, autopas::VerletListHelpers< Particle_T >::VerletListValidityCheckerFunctor, and EmptyPairwiseFunctor< Particle_T >.

allowsNonNewton3()

template<class Particle_T , class CRTP_T >

virtual bool autopas::Functor< Particle_T, CRTP_T >::allowsNonNewton3 ( )

pure virtual

Specifies whether the functor is capable of non-Newton3-like functors.

If the functor provides an interface to soa or aos functions that do not utilize Newton's third law of motion (actio = reactio) this function should return true. If this is not the case this function should return false.

Returns

true if and only if this functor provides an interface to functions that do not utilize Newton3.

Implemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorAVX< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorHWY< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorSVE< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJMultisiteFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, sphLib::SPHCalcDensityFunctor< Particle_T >, sphLib::SPHCalcHydroForceFunctor< Particle_T >, autopas::internal::AsBuildPairGeneratorFunctor< Particle_T, callCheckInstead >, autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor, autopas::VerletListHelpers< Particle_T >::VerletListValidityCheckerFunctor, and EmptyPairwiseFunctor< Particle_T >.

endTraversal()

template<class Particle_T , class CRTP_T >

virtual void autopas::Functor< Particle_T, CRTP_T >::endTraversal ( bool  newton3 )

inlinevirtual

This function is called at the end of each traversal.

You may accumulate values in this step.

Parameters

newton3

Reimplemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorAVX< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorSVE< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJMultisiteFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, and mdLib::LJFunctorHWY< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >.

getComputedAttr()

template<class Particle_T , class CRTP_T >

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

inlinestaticconstexpr

Get attributes computed by this functor.

Returns

Attributes computed by this functor.

Todo:

C++20: make this function virtual

getCutoff()

template<class Particle_T , class CRTP_T >

double autopas::Functor< Particle_T, CRTP_T >::getCutoff ( ) const

inline

Getter for the functor's cutoff.

Returns

getHitRate()

template<class Particle_T , class CRTP_T >

virtual double autopas::Functor< Particle_T, CRTP_T >::getHitRate ( ) const

inlinevirtual

Get the hit rate.

Implementation required if FLOPLogger used.

If derived class provides no implementation, the FLOPLogger interprets the default NaN output as invalid and leaves "Not Implemented" in the log.

Returns

(number of kernel calls) / (number of distance calculations)

Reimplemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, and mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >.

getName()

template<class Particle_T , class CRTP_T >

virtual std::string autopas::Functor< Particle_T, CRTP_T >::getName ( )

pure virtual

Returns name of functor.

Intended for use with the iteration logger, to differentiate between calls to computeInteractions using different functors in the logs.

Returns

name of functor.

Implemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorAVX< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorHWY< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorSVE< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJMultisiteFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, sphLib::SPHCalcDensityFunctor< Particle_T >, sphLib::SPHCalcHydroForceFunctor< Particle_T >, autopas::internal::AsBuildPairGeneratorFunctor< Particle_T, callCheckInstead >, autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor, autopas::VerletListHelpers< Particle_T >::VerletListValidityCheckerFunctor, and EmptyPairwiseFunctor< Particle_T >.

getNeededAttr() [1/2]

template<class Particle_T , class CRTP_T >

static constexpr std::array< typename Particle_T::AttributeNames, 0 > autopas::Functor< Particle_T, CRTP_T >::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 , class CRTP_T >

static constexpr std::array< typename Particle_T::AttributeNames, 0 > autopas::Functor< Particle_T, CRTP_T >::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

getNumFLOPs()

template<class Particle_T , class CRTP_T >

virtual size_t autopas::Functor< Particle_T, CRTP_T >::getNumFLOPs ( ) const

inlinevirtual

Get the number of FLOPs.

Implementation required if FLOPLogger used.

If derived class provides no implementation, the FLOPLogger interprets the default numeric_limits<size_t>::max() output as invalid and leaves "Not Implemented" the log.

Returns

number of FLOPs

Reimplemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, and mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >.

initTraversal()

template<class Particle_T , class CRTP_T >

virtual void autopas::Functor< Particle_T, CRTP_T >::initTraversal ( )

inlinevirtual

This function is called at the start of each traversal.

Use it for resetting global values or initializing them.

Reimplemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorAVX< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorHWY< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorSVE< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, and mdLib::LJMultisiteFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >.

isRelevantForTuning()

template<class Particle_T , class CRTP_T >

virtual bool autopas::Functor< Particle_T, CRTP_T >::isRelevantForTuning ( )

pure virtual

Specifies whether the functor should be considered for the auto-tuning process.

Returns

true if and only if this functor is relevant for auto-tuning.

Implemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >, mdLib::LJFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorAVX< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorHWY< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJFunctorSVE< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, mdLib::LJMultisiteFunctor< Particle_T, applyShift, useMixing, useNewton3, calculateGlobals, countFLOPs, relevantForTuning >, sphLib::SPHCalcDensityFunctor< Particle_T >, sphLib::SPHCalcHydroForceFunctor< Particle_T >, autopas::internal::AsBuildPairGeneratorFunctor< Particle_T, callCheckInstead >, autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor, autopas::VerletListHelpers< Particle_T >::VerletListValidityCheckerFunctor, and EmptyPairwiseFunctor< Particle_T >.

isVecPatternAllowed()

template<class Particle_T , class CRTP_T >

virtual bool autopas::Functor< Particle_T, CRTP_T >::isVecPatternAllowed ( const VectorizationPatternOption::Value  vecPattern )

pure virtual

Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

Parameters

vecPattern

Returns

whether the functor is capable of using the specified Vectorization Pattern

Implemented in autopas::PairwiseFunctor< Particle_T, CRTP_T >, autopas::PairwiseFunctor< Particle_T, EmptyPairwiseFunctor< Particle_T > >, autopas::PairwiseFunctor< Particle_T, VerletListGeneratorFunctor >, autopas::PairwiseFunctor< Particle_T, VerletListValidityCheckerFunctor >, autopas::PairwiseFunctor< Particle_T, AsBuildPairGeneratorFunctor< Particle_T, false > >, autopas::PairwiseFunctor< Particle_T, LJFunctor< Particle_T, false, false, autopas::FunctorN3Modes::Both, false, false, true > >, autopas::PairwiseFunctor< Particle_T, LJFunctorAVX< Particle_T, false, false, autopas::FunctorN3Modes::Both, false, false, true > >, autopas::PairwiseFunctor< Particle_T, LJFunctorHWY< Particle_T, false, false, autopas::FunctorN3Modes::Both, false, false, true > >, autopas::PairwiseFunctor< Particle_T, LJFunctorSVE< Particle_T, false, false, autopas::FunctorN3Modes::Both, false, false, true > >, autopas::PairwiseFunctor< Particle_T, LJMultisiteFunctor< Particle_T, false, false, autopas::FunctorN3Modes::Both, false, true, false > >, autopas::PairwiseFunctor< Particle_T, SPHCalcDensityFunctor< Particle_T > >, autopas::PairwiseFunctor< Particle_T, SPHCalcHydroForceFunctor< Particle_T > >, autopas::TriwiseFunctor< Particle_T, CRTP_T >, and autopas::TriwiseFunctor< Particle_T, AxilrodTellerMutoFunctor< Particle_T, false, autopas::FunctorN3Modes::Both, false, false > >.

setVecPattern()

template<class Particle_T , class CRTP_T >

virtual void autopas::Functor< Particle_T, CRTP_T >::setVecPattern ( const VectorizationPatternOption::Value  vecPattern )

inlinevirtual

Setter for the vectorization pattern to be used.

Parameters

vecPattern

SoAExtractor()

template<class Particle_T , class CRTP_T >

template<typename ParticleCell >

void autopas::Functor< Particle_T, CRTP_T >::SoAExtractor ( ParticleCell &  cell, SoA< SoAArraysType > &  soa, size_t  offset  )

inline

Copies the data stored in the soa back into the cell.

Parameters

cell	Cell where the data should be stored.
soa	Structure of arrays from where the data is loaded.
offset	Offset within the SoA. The data of the soa should be extracted starting at offset.

Template Parameters

ParticleCell

Type of the cell.

SoALoader()

template<class Particle_T , class CRTP_T >

template<class ParticleCell >

void autopas::Functor< Particle_T, CRTP_T >::SoALoader ( ParticleCell &  cell, SoA< SoAArraysType > &  soa, size_t  offset, bool  skipSoAResize  )

inline

Copies the AoS data of the given cell in the given soa.

Parameters

cell	Cell from where the data is loaded.
soa	Structure of arrays where the data is copied to.
offset	Offset within the SoA. The data of the cell should be added to the SoA with the specified offset.
skipSoAResize	If resizing of the SoA buffers should be skipped or not. If this is called with true, it must be ensured before the call that there is sufficient capacity in the SoA.

Note

The parameter skipSoAResize is usually set to false, only for VerletListsCellBased Containers it is set to true, since they resize the SoA before the call to SoALoader.

Template Parameters

ParticleCell

Type of the cell.

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

• autopas/baseFunctors/Functor.h