VLCC08Traversal.h

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#pragma once
 
#include "autopas/containers/cellTraversals/C08BasedTraversal.h"
#include "autopas/containers/verletListsCellBased/verletListsCells/VerletListsCellsHelpers.h"
#include "autopas/containers/verletListsCellBased/verletListsCells/traversals/VLCCellPairTraversalInterface.h"
#include "autopas/containers/verletListsCellBased/verletListsCells/traversals/VLCTraversalInterface.h"
#include "autopas/utils/WrapOpenMP.h"
 
namespace autopas {
 
template <class ParticleCell, class PairwiseFunctor, class NeighborList>
class VLCC08Traversal : public C08BasedTraversal<ParticleCell, PairwiseFunctor>,
                        public VLCTraversalInterface<typename ParticleCell::ParticleType, NeighborList> {
 public:
  explicit VLCC08Traversal(const std::array<unsigned long, 3> &dims, PairwiseFunctor *pairwiseFunctor,
                           double interactionLength, const std::array<double, 3> &cellLength,
                           DataLayoutOption dataLayout, bool useNewton3)
      : C08BasedTraversal<ParticleCell, PairwiseFunctor>(dims, pairwiseFunctor, interactionLength, cellLength,
                                                         dataLayout, useNewton3),
        VLCTraversalInterface<typename ParticleCell::ParticleType, NeighborList>(ContainerOption::verletListsCells),
        _functor(pairwiseFunctor) {}
 
  void traverseParticles() override;
 
  [[nodiscard]] TraversalOption getTraversalType() const override { return TraversalOption::vlc_c08; }
 
  [[nodiscard]] bool isApplicable() const override {
    // This traversal is only safe to use for CSF>=1
    const double minCellLength = *std::min_element(this->_cellLength.cbegin(), this->_cellLength.cend());
    const bool maxOneCellInCutoff = minCellLength >= this->_interactionLength;
 
    return maxOneCellInCutoff;
  }
 
  void setSortingThreshold(size_t sortingThreshold) override {}
 
 private:
  PairwiseFunctor *_functor;
};
 
template <class ParticleCell, class PairwiseFunctor, class NeighborList>
inline void VLCC08Traversal<ParticleCell, PairwiseFunctor, NeighborList>::traverseParticles() {
  if (this->_dataLayout == DataLayoutOption::soa) {
    this->loadSoA(_functor, *(this->_verletList));
  }
 
  this->c08Traversal([&](unsigned long x, unsigned long y, unsigned long z) {
    const auto baseIndex = utils::ThreeDimensionalMapping::threeToOneD(x, y, z, this->_cellsPerDimension);
    this->template processCellLists<PairwiseFunctor>(*(this->_verletList), baseIndex, _functor, this->_dataLayout,
                                                     this->_useNewton3);
  });
 
  if (this->_dataLayout == DataLayoutOption::soa) {
    this->extractSoA(_functor, *(this->_verletList));
  }
}
 
}  // namespace autopas