VVLAsBuildTraversal.h

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#pragma once
 
#include "VVLTraversalInterface.h"
#include "autopas/containers/verletListsCellBased/varVerletLists/neighborLists/asBuild/VerletNeighborListAsBuild.h"
#include "autopas/options/TraversalOption.h"
#include "autopas/utils/WrapOpenMP.h"
 
namespace autopas {
template <class ParticleCell, class Particle_T, class PairwiseFunctor>
class VVLAsBuildTraversal : public VVLTraversalInterface<VerletNeighborListAsBuild<Particle_T>>,
                            public TraversalInterface {
 private:
  void iterateAoS(VerletNeighborListAsBuild<Particle_T> &neighborList);
 
  void iterateSoA(VerletNeighborListAsBuild<Particle_T> &neighborList);
 
 public:
  explicit VVLAsBuildTraversal(PairwiseFunctor *pairwiseFunctor, DataLayoutOption dataLayout, bool useNewton3)
      : TraversalInterface(dataLayout, useNewton3), _functor(pairwiseFunctor), _soa{nullptr} {}
 
  void initTraversal() override {
    auto &neighborList = *(this->_neighborList);
    if (_dataLayout == DataLayoutOption::soa) {
      _soa = neighborList.loadSoA(_functor);
    }
  }
 
  void endTraversal() override {
    auto &neighborList = *(this->_neighborList);
    if (_dataLayout == DataLayoutOption::soa) {
      neighborList.extractSoA(_functor);
      _soa = nullptr;
    }
  }
 
  void traverseParticles() override {
    auto &neighborList = *(this->_neighborList);
    switch (this->_dataLayout) {
      case DataLayoutOption::aos:
        iterateAoS(neighborList);
        break;
      case DataLayoutOption::soa:
        iterateSoA(neighborList);
        break;
      default:
        autopas::utils::ExceptionHandler::exception("VVLAsBuildTraversal does not know this data layout!");
    }
  }
 
  [[nodiscard]] bool isApplicable() const override {
    return _dataLayout == DataLayoutOption::soa || _dataLayout == DataLayoutOption::aos;
  }
 
  [[nodiscard]] TraversalOption getTraversalType() const override { return TraversalOption::vvl_as_built; }
 
 private:
  PairwiseFunctor *_functor;
  SoA<typename Particle_T::SoAArraysType> *_soa;
};
 
template <class ParticleCell, class Particle_T, class PairwiseFunctor>
void VVLAsBuildTraversal<ParticleCell, Particle_T, PairwiseFunctor>::iterateAoS(
    VerletNeighborListAsBuild<Particle_T> &neighborList) {
  const auto &list = neighborList.getAoSNeighborList();
 
  AUTOPAS_OPENMP(parallel num_threads(list[0].size())) {
    constexpr int numColors = 8;
    for (int color = 0; color < numColors; color++) {
      AUTOPAS_OPENMP(for schedule(static))
      for (unsigned int thread = 0; thread < list[color].size(); thread++) {
        const auto &particleToNeighborMap = list[color][thread];
        for (const auto &[particlePtr, neighborPtrList] : particleToNeighborMap) {
          for (auto neighborPtr : neighborPtrList) {
            _functor->AoSFunctor(*particlePtr, *neighborPtr, _useNewton3);
          }
        }
      }
    }
  }
}
 
template <class ParticleCell, class Particle_T, class PairwiseFunctor>
void VVLAsBuildTraversal<ParticleCell, Particle_T, PairwiseFunctor>::iterateSoA(
    VerletNeighborListAsBuild<Particle_T> &neighborList) {
  const auto &soaNeighborList = neighborList.getSoANeighborList();
 
  AUTOPAS_OPENMP(parallel num_threads(soaNeighborList[0].size())) {
    constexpr int numColors = 8;
    for (int color = 0; color < numColors; color++) {
      AUTOPAS_OPENMP(for schedule(static))
      for (unsigned int thread = 0; thread < soaNeighborList[color].size(); thread++) {
        const auto &threadNeighborList = soaNeighborList[color][thread];
        for (const auto &[indexFirst, neighbors] : threadNeighborList) {
          _functor->SoAFunctorVerlet(*_soa, indexFirst, neighbors, _useNewton3);
        }
      }
    }
  }
}
 
}  // namespace autopas