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_CELLMAPPINGS_SETMOMENTUMMAPPING_H_
       6             : #define _MOLECULARDYNAMICS_COUPLING_CELLMAPPINGS_SETMOMENTUMMAPPING_H_
       7             : 
       8             : #include "coupling/interface/MDSolverInterface.h"
       9             : #include "coupling/interface/Molecule.h"
      10             : #include <iostream>
      11             : 
      12             : namespace coupling {
      13             : namespace cellmappings {
      14             : template <class LinkedCell, unsigned int dim> class SetMomentumMapping;
      15             : }
      16             : } // namespace coupling
      17             : 
      18             : /**
      19             :  *      @brief This class sets a certain momentum over several linked cells.
      20             :  *      @tparam LinkedCell cell type
      21             :  *      @tparam dim Number of dimensions; it can be 1, 2 or 3
      22             :  *  @author Philipp Neumann
      23             :  */
      24             : template <class LinkedCell, unsigned int dim> class coupling::cellmappings::SetMomentumMapping {
      25             : public:
      26             :   /** obtains the old momentum over the region of interest. Besides,
      27             :    *  obtains the new momentum that shall be set and the number of particles
      28             :    *  contained in the coupling cell.
      29             :    *    @param oldMomentum
      30             :    *    @param newMomentum
      31             :    *    @param numberParticles
      32             :    *    @param mdSolverInterface
      33             :    */
      34           0 :   SetMomentumMapping(const tarch::la::Vector<dim, double>& oldMomentum, const tarch::la::Vector<dim, double>& newMomentum, const unsigned int& numberParticles,
      35             :                      coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface)
      36           0 :       : _mdSolverInterface(mdSolverInterface), _oldVelocity(getVelocity(numberParticles, oldMomentum)),
      37           0 :         _newVelocity(getVelocity(numberParticles, newMomentum)) {}
      38             : 
      39             :   /** Destructor */
      40           0 :   ~SetMomentumMapping() {}
      41             : 
      42             :   /** empty function
      43             :    */
      44             :   void beginCellIteration() {}
      45             : 
      46             :   /** empty function
      47             :    */
      48             :   void endCellIteration() {}
      49             : 
      50             :   /** applies a certain momentum over several linked cells, by steering the
      51             :    *velocity.
      52             :    *    @param cell
      53             :    */
      54           0 :   void handleCell(LinkedCell& cell) {
      55           0 :     coupling::interface::MoleculeIterator<LinkedCell, dim>* it = _mdSolverInterface->getMoleculeIterator(cell);
      56           0 :     it->begin();
      57           0 :     while (it->continueIteration()) {
      58           0 :       coupling::interface::Molecule<dim>& wrapper(it->get());
      59           0 :       tarch::la::Vector<dim, double> velocity = wrapper.getVelocity();
      60           0 :       velocity = velocity - _oldVelocity + _newVelocity;
      61           0 :       wrapper.setVelocity(velocity);
      62             : 
      63           0 :       it->next();
      64             :     }
      65           0 :     delete it;
      66           0 :   }
      67             : 
      68             : private:
      69             :   /** returns mean velocity og the cell
      70             :    *    @param numberParticles
      71             :    *    @param momentum
      72             :    *    @return mean velocity og the cell
      73             :    */
      74           0 :   tarch::la::Vector<dim, double> getVelocity(const unsigned int& numberParticles, const tarch::la::Vector<dim, double>& momentum) const {
      75           0 :     if (numberParticles != 0) {
      76           0 :       return (1.0 / (numberParticles * _mdSolverInterface->getMoleculeMass())) * momentum;
      77             :     } else {
      78           0 :       return tarch::la::Vector<dim, double>(0.0);
      79             :     }
      80             :   }
      81             : 
      82             :   coupling::interface::MDSolverInterface<LinkedCell, dim>* const _mdSolverInterface;
      83             :   tarch::la::Vector<dim, double> _oldVelocity;
      84             :   tarch::la::Vector<dim, double> _newVelocity;
      85             : };
      86             : #endif // _MOLECULARDYNAMICS_COUPLING_CELLMAPPINGS_SETMOMENTUMMAPPING_H_