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_DATAEXCHANGEFROMMD2MACRO_H_
       6              : #define _MOLECULARDYNAMICS_COUPLING_SENDRECV_DATAEXCHANGEFROMMD2MACRO_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 DataExchangeFromMD2Macro;
      17              : }
      18              : } // namespace coupling
      19              : 
      20              : /** data exchange from MD, that is the coupling tool, to the macroscopic solver.
      21              :  *We transfer the buffers macroscopicMass and macroscopicMomentum of the
      22              :  *CouplingCell. The target ranks are determined by the getRanks()-method of
      23              :  *the macroscopic solver interface: the macroscopic solver interface thus needs
      24              :  *to know on which ranks information from the MD simulation are required as
      25              :  *input. The source ranks arise from the unique rank determination within the
      26              :  *IndexConversion. We only allow transfer of non-ghost coupling cells to the
      27              :  *macroscopic solver, i.e. cells which are completely embedded into the MD
      28              :  *domain.
      29              :  *      @brief data exchange from the MD solver to the macroscopic solver.
      30              :  *Derived from the class coupling::sendrecv::DataExchange
      31              :  *      @tparam dim Number of dimensions; it can be 1, 2 or 3
      32              :  *      @sa  DataExchangeFromMacro2MD
      33              :  *  @author Philipp Neumann
      34              :  */
      35              : template <unsigned int dim>
      36              : class coupling::sendrecv::DataExchangeFromMD2Macro : 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 :   DataExchangeFromMD2Macro(coupling::interface::MacroscopicSolverInterface<dim>* interface, unsigned int topologyOffset, unsigned int tagoffset = 0)
      44            4 :       : coupling::sendrecv::DataExchange<coupling::datastructures::CouplingCell<dim>, dim>(TAG_FROM_MD2MACRO + tagoffset), _msi(interface),
      45            4 :         _topologyOffset(topologyOffset) {
      46              : #if (COUPLING_MD_DEBUG == COUPLING_MD_YES)
      47              :     std::cout << "DataExchangeFromMD2Macro initialised..." << std::endl;
      48              : #endif
      49              :   }
      50              :   /** Destructor */
      51            0 :   virtual ~DataExchangeFromMD2Macro() {}
      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 via IndexConversion, 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 macroscopic solver side, return the respective
      61              :     // ranks via interface
      62            0 :     if (I12::contains(idx)) {
      63            0 :       return _msi->getTargetRanks(idx);
      64              :       // otherwise return empty vector
      65              :     } else {
      66            0 :       return std::vector<unsigned int>();
      67              :     }
      68              :   }
      69              : 
      70              :   /** returns all ranks from which a particular cell (at index idx)
      71              :    *is sent.
      72              :    *    @param  idx
      73              :    *    @return the corresponding ranks via MacroscopicSolverInterface, if we
      74              :    *need information on MD side, otherwise empty vector
      75              :    */
      76            0 :   std::vector<unsigned int> getSourceRanks(I01 idx) override {
      77            0 :     std::vector<unsigned int> sourceRanks;
      78            0 :     if (I12::contains(idx)) {
      79            0 :       sourceRanks.push_back(IDXS.getUniqueRankForCouplingCell(idx, _topologyOffset));
      80              :     }
      81            0 :     return sourceRanks;
      82            0 :   }
      83              : 
      84              :   /** local rule to read from coupling cell and write data to (e.g. send)
      85              :    * buffer. We only send the macroscopic mass and macroscopic momentum from MD
      86              :    * to the macroscopic solver.
      87              :    *    @param buffer
      88              :    *    @param cell
      89              :    */
      90            0 :   void readFromCell(double* const buffer, const coupling::datastructures::CouplingCell<dim>& cell) override {
      91            0 :     buffer[0] = cell.getMacroscopicMass();
      92            0 :     for (unsigned int d = 0; d < dim; d++) {
      93            0 :       buffer[d + 1] = cell.getMacroscopicMomentum()[d];
      94              :     }
      95            0 :   }
      96              : 
      97              :   /** local rule to read from receive buffer and write data to coupling cell
      98              :    *    @param buffer
      99              :    *    @param cell
     100              :    */
     101            0 :   void writeToCell(const double* const buffer, coupling::datastructures::CouplingCell<dim>& cell) override {
     102            0 :     tarch::la::Vector<dim, double> macroscopicMomentum(0.0);
     103            0 :     for (unsigned int d = 0; d < dim; d++) {
     104            0 :       macroscopicMomentum[d] = buffer[1 + d];
     105              :     }
     106            0 :     cell.setMacroscopicMomentum(macroscopicMomentum);
     107            0 :     cell.setMacroscopicMass(buffer[0]);
     108            0 :   }
     109              : 
     110              :   /** returns the number of doubles that are sent per coupling cell. @return
     111              :    * 1+dim  */
     112            0 :   unsigned int getDoublesPerCell() const override {
     113              :     // 1 double: macroscopic mass; dim doubles: macroscopic momentum
     114            0 :     return 1 + dim;
     115              :   }
     116              : 
     117              : private:
     118              :   coupling::interface::MacroscopicSolverInterface<dim>* _msi;
     119              :   unsigned int _topologyOffset;
     120              : };
     121              : #endif // _MOLECULARDYNAMICS_COUPLING_SENDRECV_DATAEXCHANGEFROMMD2MACRO_H_