VLCTraversalInterface.h

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#pragma once
 
#include <array>
#include <utility>
#include <vector>
 
#include "autopas/containers/verletListsCellBased/verletListsCells/neighborLists/VLCAllCellsNeighborList.h"
#include "autopas/containers/verletListsCellBased/verletListsCells/neighborLists/VLCCellPairNeighborList.h"
 
namespace autopas {
 
template <class Particle_T, class NeighborList>
class VLCTraversalInterface {
 public:
  VLCTraversalInterface() = delete;
 
  VLCTraversalInterface(ContainerOption typeOfList) : _typeOfList(typeOfList) {}
 
  virtual void setVerletList(NeighborList &verlet) { _verletList = &verlet; }
 
 protected:
  template <class PairwiseFunctor>
  void processCellLists(NeighborList &neighborLists, unsigned long cellIndex, PairwiseFunctor *pairwiseFunctor,
                        DataLayoutOption dataLayout, bool useNewton3) {
    processCellListsImpl<PairwiseFunctor>(neighborLists, cellIndex, pairwiseFunctor, dataLayout, useNewton3);
  }
 
  template <class PairwiseFunctor>
  void loadSoA(PairwiseFunctor *pairwiseFunctor, NeighborList &neighborLists) {
    // send to loadSoA in the neighbor list
    _soa = neighborLists.loadSoA(pairwiseFunctor);
  }
 
  template <class PairwiseFunctor>
  void extractSoA(PairwiseFunctor *pairwiseFunctor, NeighborList &neighborLists) {
    // send to extractSoA in the neighbor list
    neighborLists.extractSoA(pairwiseFunctor);
    _soa = nullptr;
  }
 
  NeighborList *_verletList;
 
  SoA<typename Particle_T::SoAArraysType> *_soa;
 
  ContainerOption _typeOfList;
 
 private:
  template <class PairwiseFunctor>
  void processCellListsImpl(VLCAllCellsNeighborList<Particle_T> &neighborList, unsigned long cellIndex,
                            PairwiseFunctor *pairwiseFunctor, DataLayoutOption dataLayout, bool useNewton3) {
    if (dataLayout == DataLayoutOption::aos) {
      auto &aosList = neighborList.getAoSNeighborList();
      for (auto &[particlePtr, neighbors] : aosList[cellIndex]) {
        Particle_T &particle = *particlePtr;
        for (auto neighborPtr : neighbors) {
          Particle_T &neighbor = *neighborPtr;
          pairwiseFunctor->AoSFunctor(particle, neighbor, useNewton3);
        }
      }
    }
 
    else if (dataLayout == DataLayoutOption::soa) {
      auto &soaList = neighborList.getSoANeighborList();
      for (auto &[particleIndex, neighbors] : soaList[cellIndex]) {
        if (not neighbors.empty()) {
          pairwiseFunctor->SoAFunctorVerlet(*_soa, particleIndex, neighbors, useNewton3);
        }
      }
    }
  }
 
  template <class PairwiseFunctor>
  void processCellListsImpl(VLCCellPairNeighborList<Particle_T> &neighborList, unsigned long cellIndex,
                            PairwiseFunctor *pairwiseFunctor, DataLayoutOption dataLayout, bool useNewton3) {
    if (dataLayout == DataLayoutOption::aos) {
      auto &aosList = neighborList.getAoSNeighborList();
      for (auto &cellPair : aosList[cellIndex]) {
        for (auto &[particlePtr, neighbors] : cellPair) {
          Particle_T &particle = *particlePtr;
          for (auto neighborPtr : neighbors) {
            Particle_T &neighbor = *neighborPtr;
            pairwiseFunctor->AoSFunctor(particle, neighbor, useNewton3);
          }
        }
      }
    }
 
    else if (dataLayout == DataLayoutOption::soa) {
      auto &soaList = neighborList.getSoANeighborList();
      // iterate over soa and call soaFunctorVerlet for each of the neighbor lists
      for (auto &cellPair : soaList[cellIndex]) {
        for (auto &[particleIndex, neighbors] : cellPair) {
          if (not neighbors.empty()) {
            pairwiseFunctor->SoAFunctorVerlet(*_soa, particleIndex, neighbors, useNewton3);
          }
        }
      }
    }
  }
};
 
}  // namespace autopas