VCLClusterFunctor.h

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#pragma once
 
#include "autopas/containers/verletClusterLists/Cluster.h"
#include "autopas/options/DataLayoutOption.h"
#include "autopas/utils/ExceptionHandler.h"
 
namespace autopas::internal {
template <class Particle_T, class PairwiseFunctor>
class VCLClusterFunctor {
 public:
  explicit VCLClusterFunctor(PairwiseFunctor *functor, size_t clusterSize, DataLayoutOption dataLayout, bool useNewton3)
      : _functor(functor), _clusterSize(clusterSize), _dataLayout(dataLayout), _useNewton3(useNewton3) {}
 
  void processCluster(internal::Cluster<Particle_T> &cluster, bool isHaloCluster) {
    if (not isHaloCluster) {
      traverseCluster(cluster);
    }
 
    // only iterate neighbors if the neighbor list contains more than just nullptr
    if (*(cluster.getNeighbors()->data())) {
      for (auto *neighborClusterPtr : *(cluster.getNeighbors())) {
        traverseClusterPair(cluster, *neighborClusterPtr);
      }
    }
  }
 
 private:
  void traverseCluster(internal::Cluster<Particle_T> &cluster) {
    if (_dataLayout == DataLayoutOption::aos) {
      for (size_t i = 0; i < _clusterSize; i++) {
        for (size_t j = i + 1; j < _clusterSize; j++) {
          // this if else branch is needed because of https://github.com/AutoPas/AutoPas/issues/426
          if (_useNewton3) {
            _functor->AoSFunctor(cluster[i], cluster[j], true);
          } else {
            _functor->AoSFunctor(cluster[i], cluster[j], false);
            _functor->AoSFunctor(cluster[j], cluster[i], false);
          }
        }
      }
    } else {
      _functor->SoAFunctorSingle(cluster.getSoAView(), _useNewton3);
    }
  }
 
  void traverseClusterPair(internal::Cluster<Particle_T> &cluster, internal::Cluster<Particle_T> &neighborCluster) {
    if (_dataLayout == DataLayoutOption::aos) {
      for (size_t i = 0; i < _clusterSize; i++) {
        for (size_t j = 0; j < _clusterSize; j++) {
          _functor->AoSFunctor(cluster[i], neighborCluster[j], _useNewton3);
        }
      }
    } else {
      _functor->SoAFunctorPair(cluster.getSoAView(), neighborCluster.getSoAView(), _useNewton3);
    }
  }
 
 private:
  PairwiseFunctor *_functor;
  size_t _clusterSize;
  DataLayoutOption _dataLayout;
  bool _useNewton3;
};
 
}  // namespace autopas::internal