CellListFast.h

#ifndef __CELL_LIST_CELL_LIST_FAST_H__
#define __CELL_LIST_CELL_LIST_FAST_H__

#include <boost/multi_array.hpp>

#include "../Vector/Vector.hpp"

namespace MDSimulation 
{
    class CellList
    {
    private:

        typedef boost::multi_array<int, 3> CellData;
        typedef boost::multi_array<int, 1> LinkedList;
        typedef boost::multi_array<IntVector, 1> CellIndex;

        int Particles;          // The number of particles in the system
        IntVector Size;

        CellData Cells;         // 3D array of cell contents.
        CellIndex Index;        // An index of which cell each particle is in.
        LinkedList Neighbors;   // A list of the neighbors in each cell.

        int FindListPosition(int start, const int ps);

    public:

        class NeighborCellIterator
        {
        private:

            IntVector LowBounds;
            IntVector HighBounds;

            CellList& Parent;                          // Reference to the current cell list

            const IntVector Cell;                      // Cell to find neighbors for
            IntVector CurrentCell;
            int CurrentParticle;

        public:

            // Constructor for the inner cell
            NeighborCellIterator(CellList& parent, const IntVector& cell,
                                 const IntVector& low, const IntVector& high);

            // De-reference Operation
            int operator*() const;

            // Have we exhaused the iterator?
            bool HasNext() const;

            // Increment the iterator
            NeighborCellIterator& operator++();
        };

        CellList(const int ps, const int xs, const int ys, const int zs);

        const IntVector& ParticlePosition(const int ps) const;

        void ParticlePosition(const int ps, IntVector& v) const;

        void MoveParticle(const int ps, const IntVector& mv);

        void SetParticle(const int ps, const int x, const int y, const int z);


        void SetParticle(const int particle, const IntVector& v);

        NeighborCellIterator BeginNeighborCell(const int particle,
                                               const IntVector& low,
                                               const IntVector& high);

        void Resize(const int ps, const IntVector& ex);

        void Clear();

        inline unsigned long Dims(const int i) const
        {
            assert(i >= 0);
            assert((unsigned) i < Cells.num_dimensions());
            return Cells.shape()[i];
        }
    };
}

#endif  /* __CELL_LIST_H__ */