localcell_info.h

Go to the documentation of this file.

#pragma once
 
#include <memory>
#include "gint_type.h"
#include "unitcell_info.h"
 
namespace ModuleGint
{
 
class LocalCellInfo
{
    public:
        // constructor
        LocalCellInfo(
            int startidx_x, int startidx_y, int startidx_z,
            int nbx, int nby, int nbz,
            std::shared_ptr<const UnitCellInfo> unitcell_info);
 
        // getter functions
        int get_startidx_bx() const { return startidx_bx_; }
        int get_startidx_by() const { return startidx_by_; }
        int get_startidx_bz() const { return startidx_bz_; }
        int get_nbx() const { return nbx_; }
        int get_nby() const { return nby_; }
        int get_nbz() const { return nbz_; }
        int get_bgrids_num() const { return nbxyz_; }
        int get_mgrids_num() const { return nmxyz_; }
        std::shared_ptr<const UnitCellInfo> get_unitcell_info() const { return unitcell_info_; }
        std::shared_ptr<const BigGridInfo> get_bgrid_info() const { return unitcell_info_->get_bgrid_info(); }
 
        //====================================================================
        // functions related to the big grid
        //====================================================================
 
        // transform the 3D index of a big grid in the local cell to the 3D index in the local cell
        int bgrid_idx_3Dto1D(const Vec3i index_3d) const;
 
        // transform the 1D index of a big grid in the local cell to the 1D index in the local cell
        Vec3i bgrid_idx_1Dto3D(const int index_1d) const;
 
        // transform the 3D index of a big grid in the local cell to the 3D index in the unit cell
        Vec3i get_bgrid_global_idx_3D(const Vec3i index_3d) const;
 
        // transform the 1D index of a big grid in the local cell to the 3D index in the unit cell
        Vec3i get_bgrid_global_idx_3D(const int index_1d) const;
 
        // transform the 1D index of a big grid in the local cell to the 1D index in the unit cell
        int get_bgrid_global_idx_1D(const int index_1d) const;
 
        // transform the 3D index of a big grid in the unit cell to the 3D index in the local cell
        Vec3i get_bgrid_local_idx_3D(const Vec3i index_3d) const;
 
        // transform the 1D index of a big grid in the unit cell to the 1D index in the local cell
        int get_bgrid_local_idx_1D(const int index_1d) const;
 
        // transform the 3D index of a big grid in the unit cell to the 1D index in the local cell
        int get_bgrid_local_idx_1D(const Vec3i index_3d) const;
 
        // get the cartesian coordinate of a big grid in the unit cell from the 1D index
        Vec3d get_bgrid_global_coord_3D(const int index_1d) const;
 
        // the input is the 3D index of a big grid in the unitcell
        // return true if the big grid is in the local cell
        bool is_bgrid_in_lcell(const Vec3i index_3d) const;
 
 
        //====================================================================
        // functions related to the meshgrid
        //====================================================================
 
        // transform the 3D index of a meshgrid in the local cell to the 3D index in the local cell
        int mgrid_idx_3Dto1D(const Vec3i index_3d) const;
 
        // transform the 1D index of a meshgrid in the local cell to the 1D index in the local cell
        Vec3i mgrid_idx_1Dto3D(const int index_1d) const;
 
        // transform the 3D index of a meshgrid in the local cell to the 3D index in the unit cell
        Vec3i get_mgrid_global_idx_3D(const Vec3i index_3d) const;
 
        // transform the 1D index of a meshgrid in the local cell to the 1D index in the unit cell
        int get_mgrid_global_idx_1D(const int index_1d) const;
 
    private:
        //====================================================================
        // information about the big grid
        //====================================================================
 
        // 3D index of the first big grid in the local cell within the unit cell
        int startidx_bx_;
        int startidx_by_;
        int startidx_bz_;
 
        // Number of big grids in the local cell along the three basis vectors of the local cell
        int nbx_;
        int nby_;
        int nbz_;
 
        // Total number of big grids in the local cell
        int nbxyz_;
 
        //====================================================================
        // information about the meshgrid
        //====================================================================
 
        // 3D index of the first meshgrid in the local cell within the unit cell
        int startidx_mx_;
        int startidx_my_;
        int startidx_mz_;
 
        // Number of meshgrids in the local cell along the three basis vectors of the local cell
        int nmx_;
        int nmy_;
        int nmz_;
 
        // Total number of meshgrids in the local cell
        int nmxyz_;
 
        // information about the Unitcell
        std::shared_ptr<const UnitCellInfo> unitcell_info_;
 
        // information about the big grid
        std::shared_ptr<const BigGridInfo> biggrid_info_;
        
};
 
} // namespace ModuleGint