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_TRANSFERSTRATEGIES_DIRECTTRANSFERSTRATEGY_H_
       6              : #define _MOLECULARDYNAMICS_COUPLING_TRANSFERSTRATEGIES_DIRECTTRANSFERSTRATEGY_H_
       7              : 
       8              : #include "coupling/cell-mappings/ComputeMassMapping.h"
       9              : #include "coupling/cell-mappings/ComputeMomentumMapping.h"
      10              : #include "coupling/transferstrategies/TransferStrategy.h"
      11              : #include "tarch/la/Vector.h"
      12              : 
      13              : namespace coupling {
      14              : namespace transferstrategies {
      15              : template <class LinkedCell, unsigned int dim> class DirectTransferStrategy;
      16              : }
      17              : } // namespace coupling
      18              : 
      19              : /** transfers and introduces mass and momentum directly into MD and to
      20              :  * macroscopic solver. So, for example, if mass M is coming from the macroscopic
      21              :  * solver, M is to be inserted into MD.
      22              :  *  @author Philipp Neumann
      23              :  *  @tparam LinkedCell the LinkedCell class is given by the implementation of
      24              :  * linked cells in the molecular dynamics simulation
      25              :  *  @tparam dim  refers to the spacial dimension of the simulation, can be 1, 2,
      26              :  * or 3 */
      27              : template <class LinkedCell, unsigned int dim>
      28              : class coupling::transferstrategies::DirectTransferStrategy : public coupling::transferstrategies::TransferStrategy<LinkedCell, dim> {
      29              : public:
      30              :   /** @brief a simple constructor
      31              :    *  @param mdSolverInterface interface for the md solver*/
      32            4 :   DirectTransferStrategy(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface)
      33            4 :       : coupling::transferstrategies::TransferStrategy<LinkedCell, dim>(mdSolverInterface), _massMapping(mdSolverInterface),
      34            4 :         _momentumMapping(mdSolverInterface) {}
      35              : 
      36              :   /** @brief a dummy destructor*/
      37            0 :   virtual ~DirectTransferStrategy() {}
      38              : 
      39              :   /** @brief the microscopicMass and -Momentum are set to 0
      40              :    *  @param cell coupling cell to process
      41              :    *  @param index index of the coupling cell */
      42            0 :   void processInnerCouplingCellBeforeReceivingMacroscopicSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell,
      43              :                                                                     I02 index) override {
      44              :     // reset quantities
      45            0 :     const tarch::la::Vector<dim, double> zero(0.0);
      46            0 :     cell.setMicroscopicMass(0.0);
      47            0 :     cell.setMicroscopicMomentum(zero);
      48            0 :   }
      49              : 
      50              :   /** @brief the microscopicMass and -Momentum are set to 0
      51              :    *  @param cell coupling cell to process
      52              :    *  @param index index of the coupling cell */
      53            0 :   void processOuterCouplingCellBeforeReceivingMacroscopicSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell,
      54              :                                                                     I02 index) override {
      55              :     // reset quantities
      56            0 :     const tarch::la::Vector<dim, double> zero(0.0);
      57            0 :     cell.setMicroscopicMass(0.0);
      58            0 :     cell.setMicroscopicMomentum(zero);
      59            0 :   }
      60              : 
      61              :   /** @brief the mass and momentum is evaluated for the cell and written to the
      62              :    * macroscopic quantities
      63              :    *  @param cell coupling cell to process
      64              :    *  @param index index of the coupling cell */
      65            0 :   void processInnerCouplingCellBeforeSendingMDSolverData(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell, I02 index) override {
      66            0 :     cell.iterateConstCells(_massMapping);
      67            0 :     cell.iterateConstCells(_momentumMapping);
      68            0 :     cell.setMacroscopicMass(_massMapping.getMass());
      69            0 :     cell.setMacroscopicMomentum(_momentumMapping.getMomentum());
      70            0 :   }
      71              : 
      72              : private:
      73              :   /** necessary to compute the mass in every single cell */
      74              :   coupling::cellmappings::ComputeMassMapping<LinkedCell, dim> _massMapping;
      75              :   /** necessary to compute the momentum in every single cell  */
      76              :   coupling::cellmappings::ComputeMomentumMapping<LinkedCell, dim> _momentumMapping;
      77              : };
      78              : #endif // _MOLECULARDYNAMICS_COUPLING_TRANSFERSTRATEGIES_DIRECTTRANSFERSTRATEGY_H_