Line data    Source code

       1              : // Copyright (C) 2015 Technische Universitaet Muenchen
       2              : // This file is part of the Mamico project. For conditions of distribution
       3              : // and use, please see the copyright notice in Mamico's main folder, or at
       4              : // www5.in.tum.de/mamico
       5              : #ifndef _MOLECULARDYNAMICS_COUPLING_SENDRECV_DATAEXCHANGEFROMMACRO2MD_H_
       6              : #define _MOLECULARDYNAMICS_COUPLING_SENDRECV_DATAEXCHANGEFROMMACRO2MD_H_
       7              : 
       8              : #include "coupling/CouplingMDDefinitions.h"
       9              : #include "coupling/datastructures/CouplingCell.h"
      10              : #include "coupling/indexing/IndexingService.h"
      11              : #include "coupling/interface/MacroscopicSolverInterface.h"
      12              : #include "coupling/sendrecv/DataExchange.h"
      13              : 
      14              : namespace coupling {
      15              : namespace sendrecv {
      16              : template <unsigned int dim> class DataExchangeFromMacro2MD;
      17              : }
      18              : } // namespace coupling
      19              : 
      20              : /** data exchange from the macroscopic solver to the MD solver, that is to the
      21              :  *coupling tool. We transfer the buffers microscopicMass and microscopicMomentum
      22              :  *of the CouplingCell. The target ranks are determined by the
      23              :  *getRanksForCouplingCell(): since coupling
      24              :  *cells may exist on different ranks (due to ghost layers), this method
      25              :  *determines all ranks with a particular coupling cell and returns a vector
      26              :  *with all required ranks. The
      27              :  *source ranks are determined via the macroscopic solver interface's method
      28              :  *getRanks()
      29              :  *      @brief data exchange from the macroscopic solver to the MD solver.
      30              :  *Derived from the class coupling::sendrecv::DataExchange
      31              :  *      @tparam dim Number of dimensions; it can be 1, 2 or 3
      32              :  *      @sa  DataExchangeFromMD2Macro
      33              :  *  @author Philipp Neumann
      34              :  */
      35              : template <unsigned int dim>
      36              : class coupling::sendrecv::DataExchangeFromMacro2MD : public coupling::sendrecv::DataExchange<coupling::datastructures::CouplingCell<dim>, dim> {
      37              : 
      38              : public:
      39              :   /** Constructor
      40              :    *    @param interface macroscopic solver interface
      41              :    *    @param tagoffset 0 per default
      42              :    */
      43            4 :   DataExchangeFromMacro2MD(coupling::interface::MacroscopicSolverInterface<dim>* interface, unsigned int topologyOffset, unsigned int tagoffset = 0)
      44            4 :       : coupling::sendrecv::DataExchange<coupling::datastructures::CouplingCell<dim>, dim>(TAG_FROM_MACRO2MD + tagoffset), _msi(interface),
      45            4 :         _topologyOffset(topologyOffset) {
      46              : #if (COUPLING_MD_DEBUG == COUPLING_MD_YES)
      47              :     std::cout << "DataExchangeFromMacro2MD initialised..." << std::endl;
      48              : #endif
      49              :   }
      50              :   /** Destructor */
      51            0 :   virtual ~DataExchangeFromMacro2MD() {}
      52              : 
      53              :   /** returns the ranks to which a particular cell (at index idx)
      54              :    *should be sent.
      55              :    *    @param  idx
      56              :    *    @return the corresponding ranks, if we need
      57              :    *information on MD side, otherwise empty vector
      58              :    */
      59            0 :   std::vector<unsigned int> getTargetRanks(I01 idx) override {
      60              :     // if we need information on MD side, return the respective ranks via
      61            0 :     if (I08::contains(idx) && !I12::contains(idx)) {
      62            0 :       return IDXS.getRanksForGlobalIndex(idx, _topologyOffset);
      63              :       // otherwise return empty vector
      64              :     }
      65            0 :     return std::vector<unsigned int>();
      66              :   }
      67              : 
      68              :   /** returns all ranks from which a particular cell (at index idx)
      69              :    *is sent.
      70              :    *    @param  idx
      71              :    *    @return the corresponding ranks via MacroscopicSolverInterface, if we
      72              :    *need information on MD side, otherwise empty vector
      73              :    */
      74            0 :   std::vector<unsigned int> getSourceRanks(I01 idx) override {
      75            0 :     if (I08::contains(idx) && !I12::contains(idx)) { // Global, no ghost, no MD2Macro
      76            0 :       return _msi->getSourceRanks(idx);
      77              :     }
      78            0 :     return std::vector<unsigned int>();
      79              :   }
      80              : 
      81              :   /** local rule to read from coupling cell and write data to (e.g. send)
      82              :    * buffer. We only send the macroscopic mass and macroscopic momentum from MD
      83              :    * to the macroscopic solver.
      84              :    *    @param buffer
      85              :    *    @param cell
      86              :    */
      87            0 :   void readFromCell(double* const buffer, const coupling::datastructures::CouplingCell<dim>& cell) override {
      88            0 :     buffer[0] = cell.getMicroscopicMass();
      89            0 :     for (unsigned int d = 0; d < dim; d++) {
      90            0 :       buffer[d + 1] = cell.getMicroscopicMomentum()[d];
      91              :     }
      92            0 :   }
      93              : 
      94              :   /** local rule to read from receive buffer and write data to coupling cell
      95              :    *    @param buffer
      96              :    *    @param cell
      97              :    */
      98            0 :   void writeToCell(const double* const buffer, coupling::datastructures::CouplingCell<dim>& cell) override {
      99            0 :     tarch::la::Vector<dim, double> microscopicMomentum(0.0);
     100            0 :     for (unsigned int d = 0; d < dim; d++) {
     101            0 :       microscopicMomentum[d] = buffer[1 + d];
     102              :     }
     103            0 :     cell.setMicroscopicMomentum(microscopicMomentum);
     104            0 :     cell.setMicroscopicMass(buffer[0]);
     105            0 :   }
     106              : 
     107              :   /** returns the number of doubles that are sent per coupling cell. @return
     108              :    * 1+dim  */
     109            0 :   unsigned int getDoublesPerCell() const override {
     110              :     // 1 double: microscopic mass; dim doubles: microscopic momentum
     111            0 :     return 1 + dim;
     112              :   }
     113              : 
     114              : private:
     115              :   coupling::interface::MacroscopicSolverInterface<dim>* _msi;
     116              :   unsigned int _topologyOffset;
     117              : };
     118              : #endif // _MOLECULARDYNAMICS_COUPLING_SENDRECV_DATAEXCHANGEFROMMACRO2MD_H_