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_COMPUTEMASSMAPPING_H_
       6              : #define _MOLECULARDYNAMICS_COUPLING_CELLMAPPINGS_COMPUTEMASSMAPPING_H_
       7              : 
       8              : #include "coupling/interface/MDSolverInterface.h"
       9              : #include <iostream>
      10              : 
      11              : namespace coupling {
      12              : namespace cellmappings {
      13              : template <class LinkedCell, unsigned int dim> class ComputeMassMapping;
      14              : }
      15              : } // namespace coupling
      16              : 
      17              : /**
      18              :  *      @brief This class computes the mass over certain linked cells.
      19              :  *      @tparam LinkedCell cell type
      20              :  *      @tparam dim Number of dimensions; it can be 1, 2 or 3
      21              :  *  @author Philipp Neumann
      22              :  */
      23              : template <class LinkedCell, unsigned int dim> class coupling::cellmappings::ComputeMassMapping {
      24              : public:
      25              :   /** Constructor
      26              :    *    @param mdSolverInterface
      27              :    */
      28            8 :   ComputeMassMapping(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface)
      29            8 :       : _mdSolverInterface(mdSolverInterface), _mass(0.0), _particleCounter(0) {}
      30              : 
      31              :   /** Destructor */
      32            0 :   ~ComputeMassMapping() {}
      33              : 
      34              :   /** sets the mass and the particlee counter to zero, before the iteration
      35              :    * process begins.
      36              :    */
      37            0 :   void beginCellIteration() {
      38            0 :     _mass = 0.0;
      39            0 :     _particleCounter = 0;
      40              :   }
      41              : 
      42              :   /** computes the mass in a linked cell, by multiplying the number of particles
      43              :    * inside the cell with the particel mass(which is assuemd to be constant).
      44              :    */
      45            0 :   void endCellIteration() { _mass = _mdSolverInterface->getMoleculeMass() * _particleCounter; }
      46              : 
      47              :   /** counts the molecules inside a linked cell.
      48              :    *    @param cell
      49              :    */
      50            0 :   void handleCell(LinkedCell& cell) {
      51            0 :     coupling::interface::MoleculeIterator<LinkedCell, dim>* it = _mdSolverInterface->getMoleculeIterator(cell);
      52            0 :     it->begin();
      53            0 :     while (it->continueIteration()) {
      54            0 :       _particleCounter++;
      55            0 :       it->next();
      56              :     }
      57            0 :     delete it;
      58            0 :   }
      59              : 
      60              :   /** returns the mass inside a linked cell
      61              :    *    @return _mass
      62              :    */
      63            0 :   double getMass() const { return _mass; }
      64              :   /** returns the number of particles inside a linked cell
      65              :    *    @return _particleCounter
      66              :    */
      67            0 :   unsigned int getNumberOfParticles() const { return _particleCounter; }
      68              : 
      69              : private:
      70              :   coupling::interface::MDSolverInterface<LinkedCell, dim>* const _mdSolverInterface;
      71              :   double _mass;
      72              :   unsigned int _particleCounter;
      73              : };
      74              : #endif // _MOLECULARDYNAMICS_COUPLING_CELLMAPPINGS_COMPUTEMASSMAPPING_H_