VarVerletLists.h

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#pragma once
 
#include "autopas/containers/verletListsCellBased/VerletListsLinkedBase.h"
#include "autopas/containers/verletListsCellBased/varVerletLists/traversals/VVLTraversalInterface.h"
 
namespace autopas {
 
template <class Particle_T, class NeighborList>
class VarVerletLists : public VerletListsLinkedBase<Particle_T> {
 public:
  VarVerletLists(const std::array<double, 3> &boxMin, const std::array<double, 3> &boxMax, const double cutoff,
                 const double skin, const unsigned int rebuildFrequency, const double cellSizeFactor = 1.0)
      : VerletListsLinkedBase<Particle_T>(boxMin, boxMax, cutoff, skin, rebuildFrequency,
                                          compatibleTraversals::allVarVLAsBuildCompatibleTraversals(), cellSizeFactor),
        _neighborList{} {}
 
  [[nodiscard]] ContainerOption getContainerType() const override { return _neighborList.getContainerType(); }
 
  void computeInteractions(TraversalInterface *traversal) override {
    auto *traversalInterface = dynamic_cast<VVLTraversalInterface<NeighborList> *>(traversal);
    if (traversalInterface) {
      traversalInterface->setNeighborListToTraverse(_neighborList);
    } else {
      autopas::utils::ExceptionHandler::exception(
          "trying to use a traversal of wrong type in VarVerletLists::computeInteractions");
    }
 
    traversal->initTraversal();
    traversal->traverseParticles();
    traversal->endTraversal();
  }
 
  long getNumberOfNeighborPairs() const { return _neighborList.getNumberOfNeighborPairs(); }
 
  void rebuildNeighborLists(TraversalInterface *traversal) override {
    this->_verletBuiltNewton3 = traversal->getUseNewton3();
    _neighborList.buildAoSNeighborList(this->_linkedCells, traversal->getUseNewton3());
    // the neighbor list is now valid
    this->_neighborListIsValid.store(true, std::memory_order_relaxed);
 
    if (traversal->getDataLayout() == DataLayoutOption::soa and not _neighborList.isSoAListValid()) {
      _neighborList.generateSoAFromAoS();
    }
  }
 
 private:
  NeighborList _neighborList;
};
 
}  // namespace autopas