bin_manager.h

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#ifndef BIN_MANAGER_H
#define BIN_MANAGER_H
 
#include <vector>
#include "source_cell/module_neighlist/neighbor_atom.h"
#include "source_cell/module_neighlist/neighbor_list.h"
 
 
 
class Bin
{
public:
    Bin()=default;
    ~Bin()=default;
 
    int id_x;
    int id_y;
    int id_z;
 
    std::vector<NeighborAtom> atoms;
};
 
 
class BinManager
{
public:
 
    void init_bins(
        double sr,
        const std::vector<NeighborAtom>& inside_atoms,
        const std::vector<NeighborAtom>& ghost_atoms
    );
 
 
    void do_binning(
        const std::vector<NeighborAtom>& inside_atoms,
        const std::vector<NeighborAtom>& ghost_atoms
    );
 
 
    void build_atom_neighbors(
        NeighborList& neighbor_list,
        std::vector<NeighborAtom>& atoms
    );
 
 
    void clear();
 
 
    double sradius;
 
    double x_min, y_min, z_min;
    double x_max, y_max, z_max;
 
    double bin_sizex;
    double bin_sizey;
    double bin_sizez;
 
    int nbinx;
    int nbiny;
    int nbinz;
 
    std::vector<Bin> bins;
};
 
#endif // BIN_MANAGER_H