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_COMPUTEMOMENTUMMAPPING_H_
       6              : #define _MOLECULARDYNAMICS_COUPLING_CELLMAPPINGS_COMPUTEMOMENTUMMAPPING_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 ComputeMomentumMapping;
      15              : }
      16              : } // namespace coupling
      17              : 
      18              : /**
      19              :  *      @brief This class computes the momentum over certain 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::ComputeMomentumMapping {
      25              : public:
      26              :   /** Constructor
      27              :    *    @param mdSolverInterface
      28              :    */
      29            8 :   ComputeMomentumMapping(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface)
      30           16 :       : _mdSolverInterface(mdSolverInterface), _momentum(0.0), _meanVelocity(0.0), _particleCounter(0) {}
      31              : 
      32              :   /** Destructor */
      33            0 :   ~ComputeMomentumMapping() {}
      34              : 
      35              :   /** sets the mean velocity, momentum and the particle counter to zero, before
      36              :    * the iteration process begins.
      37              :    */
      38            0 :   void beginCellIteration() {
      39            0 :     _momentum = tarch::la::Vector<dim, double>(0.0);
      40            0 :     _meanVelocity = tarch::la::Vector<dim, double>(0.0);
      41            0 :     _particleCounter = 0;
      42            0 :   }
      43              : 
      44              :   /** computes the mean velocity, momentum in a linked cell,
      45              :    *    by dividing and multiplying the summation of the velocities computed in
      46              :    *handleCell(...) over the number if particle and in particle mass
      47              :    *respectively.
      48              :    */
      49            0 :   void endCellIteration() {
      50            0 :     if (_particleCounter != 0) {
      51            0 :       _meanVelocity = (1.0 / ((double)_particleCounter)) * _momentum;
      52            0 :       _momentum = _mdSolverInterface->getMoleculeMass() * _momentum;
      53              :     }
      54            0 :   }
      55              : 
      56              :   /** counts the molecules inside a linked cell and sums up the of the velocity
      57              :    *of all particles inside the cell and saves it as momentum.
      58              :    *    @param cell
      59              :    */
      60            0 :   void handleCell(LinkedCell& cell) {
      61            0 :     coupling::interface::MoleculeIterator<LinkedCell, dim>* it = _mdSolverInterface->getMoleculeIterator(cell);
      62            0 :     it->begin();
      63            0 :     while (it->continueIteration()) {
      64            0 :       const coupling::interface::Molecule<dim>& wrapper(it->getConst());
      65            0 :       _momentum += wrapper.getVelocity();
      66            0 :       _particleCounter++;
      67              : 
      68            0 :       it->next();
      69              :     }
      70            0 :     delete it;
      71            0 :   }
      72              : 
      73              :   /** returns the momentum inside a linked cell
      74              :    *    @return _momentum
      75              :    */
      76            0 :   tarch::la::Vector<dim, double> getMomentum() const { return _momentum; }
      77              : 
      78              :   /** returns the mean velocity inside a linked cell
      79              :    *    @return _meanVelocity
      80              :    */
      81            0 :   tarch::la::Vector<dim, double> getMeanVelocity() const { return _meanVelocity; }
      82              : 
      83              : private:
      84              :   coupling::interface::MDSolverInterface<LinkedCell, dim>* const _mdSolverInterface;
      85              :   tarch::la::Vector<dim, double> _momentum;
      86              :   tarch::la::Vector<dim, double> _meanVelocity;
      87              :   unsigned int _particleCounter;
      88              : };
      89              : #endif // _MOLECULARDYNAMICS_COUPLING_CELLMAPPINGS_COMPUTEMOMENTUMMAPPING_H_