AutoPas  3.0.0
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VLCC18Traversal.h
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1
7#pragma once
8
11
12namespace autopas {
13
27template <class ParticleCell, class PairwiseFunctor, class NeighborList>
28class VLCC18Traversal : public C18BasedTraversal<ParticleCell, PairwiseFunctor>,
29 public VLCTraversalInterface<typename ParticleCell::ParticleType, NeighborList> {
30 public:
42 explicit VLCC18Traversal(const std::array<unsigned long, 3> &dims, PairwiseFunctor *pairwiseFunctor,
43 const double interactionLength, const std::array<double, 3> &cellLength,
44 DataLayoutOption dataLayout, bool useNewton3, ContainerOption::Value typeOfList)
45 : C18BasedTraversal<ParticleCell, PairwiseFunctor>(dims, pairwiseFunctor, interactionLength, cellLength,
46 dataLayout, useNewton3),
47 VLCTraversalInterface<typename ParticleCell::ParticleType, NeighborList>(typeOfList),
48 _functor(pairwiseFunctor) {}
49
50 void traverseParticles() override;
51
52 [[nodiscard]] TraversalOption getTraversalType() const override {
53 switch (this->_typeOfList) {
54 case (ContainerOption::verletListsCells):
55 return TraversalOption::vlc_c18;
56 case (ContainerOption::pairwiseVerletLists):
57 return TraversalOption::vlp_c18;
58 default:
59 utils::ExceptionHandler::exception("Traversal was created with an unsupported neighborlist type: {}",
60 this->_typeOfList.to_string());
61 }
62 // should never be reached.
63 return TraversalOption();
64 }
65
66 [[nodiscard]] bool isApplicable() const override {
67 return (this->_dataLayout == DataLayoutOption::aos or this->_dataLayout == DataLayoutOption::soa);
68 }
69
74 void setSortingThreshold(size_t sortingThreshold) override {}
75
76 private:
77 PairwiseFunctor *_functor;
78};
79
80template <class ParticleCell, class PairwiseFunctor, class NeighborList>
82 if (this->_dataLayout == DataLayoutOption::soa) {
83 this->loadSoA(_functor, *(this->_verletList));
84 }
85
86 this->template c18Traversal</*allCells*/ true>([&](unsigned long x, unsigned long y, unsigned long z) {
87 unsigned long baseIndex = utils::ThreeDimensionalMapping::threeToOneD(x, y, z, this->_cellsPerDimension);
88 this->template processCellLists<PairwiseFunctor>(*(this->_verletList), baseIndex, _functor, this->_dataLayout,
89 this->_useNewton3);
90 });
91
92 if (this->_dataLayout == DataLayoutOption::soa) {
93 this->extractSoA(_functor, *(this->_verletList));
94 }
95}
96
97} // namespace autopas
This class provides the base for traversals using the c18 base step.
Definition: C18BasedTraversal.h:23
PairwiseFunctor class.
Definition: PairwiseFunctor.h:31
Class for Cells of Particles.
Definition: ParticleCell.h:51
DataLayoutOption _dataLayout
The datalayout used by this traversal.
Definition: TraversalInterface.h:75
This class provides the lc_c18 traversal.
Definition: VLCC18Traversal.h:29
VLCC18Traversal(const std::array< unsigned long, 3 > &dims, PairwiseFunctor *pairwiseFunctor, const double interactionLength, const std::array< double, 3 > &cellLength, DataLayoutOption dataLayout, bool useNewton3, ContainerOption::Value typeOfList)
Constructor of the lc_c18 traversal.
Definition: VLCC18Traversal.h:42
bool isApplicable() const override
Checks if the traversal is applicable to the current state of the domain.
Definition: VLCC18Traversal.h:66
TraversalOption getTraversalType() const override
Return a enum representing the name of the traversal class.
Definition: VLCC18Traversal.h:52
void traverseParticles() override
Traverse the particles by pairs, triplets etc.
Definition: VLCC18Traversal.h:81
void setSortingThreshold(size_t sortingThreshold) override
Set the sorting-threshold for traversals that use the CellFunctor If the sum of the number of particl...
Definition: VLCC18Traversal.h:74
This class provides the Traversal Interface for the verlet lists cells container.
Definition: VLCTraversalInterface.h:27
ContainerOption _typeOfList
The type of neighbor list as an enum value.
Definition: VLCTraversalInterface.h:97
static void exception(const Exception e)
Handle an exception derived by std::exception.
Definition: ExceptionHandler.h:63
constexpr T threeToOneD(T x, T y, T z, const std::array< T, 3 > &dims)
Convert a 3d index to a 1d index.
Definition: ThreeDimensionalMapping.h:29
This is the main namespace of AutoPas.
Definition: AutoPasDecl.h:32