KNGeometricShape.h

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#pragma once

#include <vector>
#include "KNGeometricCoordination.h"
#include "KNGeometricDirection.h"
#include "KNGeometricUnitCell.h"
#include "KNMatrixOperation.h"
#include "KNCommandFileParser.h"
#include "CKNGeometricParameter.h"
#include "CKNAtomMapInfo.h"
#include "IKNGeometricUnitCellInfo.h"
#include "KNGeometricUnitCellInfo_zincblende.h"
#include "KNGeometricUnitCellInfo_cubic.h"

class CKNGeometricShape
{
public:
    CKNGeometricShape();
    ~CKNGeometricShape();
    void                                        SetOriginCoordination(double x, double y, double z); 
    void                                        SetDirection(double x_axis, double y_axis, double z_axis); 
    void                                        SetLength(double lx, double ly, double lz); 
    MATERIAL_INDEX                              GetMaterialType(){ return m_MaterialType; }; 
    void                                        SetMaterialType(MATERIAL_INDEX type){ m_MaterialType = type; }; 
    void                                        SetMaterialType(char *pszType); 
    unsigned int                                GetShapeForm(){ return m_ShapeForm; }; 
    void                                        SetShapeForm(unsigned int form){ m_ShapeForm = form; }; 
    void                                        SetShapeForm(char *pszForm); 
    bool                                        GetConsideringBoundaryCondition(AXIS_DEFINE direction){ return m_bConsiderBoundaryCondition[direction]; }; 
    void                                        SetConsideringBoundaryCondition(bool bConsider, AXIS_DEFINE direction){ m_bConsiderBoundaryCondition[direction] = bConsider; }; 
    bool                                        FillUnitcell(CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    void                                        BuildNeighborInformation(); 
    bool                                        IsFrontFace(){ return m_bFrontFace; }; 
    void                                        SetFrontFace(bool bFrontFace){ m_bFrontFace = bFrontFace; }; 
    bool                                        IsBackendFace(){ return m_bBackendFace; }; 
    void                                        SetBackendFace(bool bBackendFace){ m_bBackendFace = bBackendFace; } 
    bool                                        ConstructMapInfo(LPNEIGHBOR_MAP_INFO lpMapInfo, CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    void                                        ShiftAtomID(double fShift); 
    void                                        PeriodicUnitCellNumbering(bool bXAxis = false); 
    void                                        InitMapInfo(LPNEIGHBOR_MAP_INFO lpMapInfo); 
    bool                                        RefillPeriodicBinding(CKNMatrixOperation::CKNCSR *pResult, CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam, LPNEIGHBOR_MAP_INFO lpMapInfo, unsigned int nRepeatIndex, double fKValue[3]); 
    double                                      GetTotalAtomCount(){ return m_fTotalAtomCountinMPI;}; 
    void                                        SetTotalAtomCount(double fTotalAtomCountinMPI){ m_fTotalAtomCountinMPI = fTotalAtomCountinMPI;}; 
    double                                      GetAtomStartID(){ return m_fAtomIDStartIndex; }; 
    void                                        ExchangeAtomInfoBetweenNode(); 
    void                                        FinalShape(); 
    std::vector<CKNGeometricAtom*>*             GetSurfaceAtomList(){ return &m_vectSurfaceAtom; }; 

    unsigned int                                m_nAtomFirstLayer; 
    unsigned int                                m_nAtomLastLayer; 

private:

    double                                      m_fLength[3]; 
    double                                      m_fAssignedCount[3]; 
    unsigned int                                m_ShapeForm; 
    bool                                        m_bConsiderBoundaryCondition[3]; 
    bool                                        m_bFrontFace; 
    bool                                        m_bBackendFace; 
    double                                      m_fTotalAtomCountinMPI; 
    double                                      m_fAtomIDStartIndex; 
    MATERIAL_INDEX                              m_MaterialType; 
    std::vector<CKNGeometricUnitCell>           m_vectUnitCell; 
    std::vector<CKNGeometricUnitCell>           m_vectPrevUnitCell; 
    std::vector<CKNGeometricUnitCell>           m_vectNextUnitCell; 
    std::vector<CKNGeometricAtom*>              m_vectSurfaceAtom;
    CKNGeometricCoordination                    m_originCoordination; 
    CKNGeometricDirection                       m_shapDirection; 
    
    bool                                        IsInBoundaryCondition(int x, int y, int z, int maxX, int maxY, int maxZ); 
    void                                        FreeUnitCellList(); 
    void                                        InitShape(); 
    void                                        RotateMatrix(CKNMatrixOperation::CKNDMatrix *pMatrixNbr, CKNMatrixOperation::CKNDMatrix *pMatrixResult, double fDegree[2]); 
    CKNGeometricAtom*                           GetAtomByIndex(double fID); 
    double                                      GetKPhaseSign(double fAtomPos, double fPeriodicAtomPos); 
    int                                         GetPeriodicDirection(int x, int y, int z, int maxX, int maxY, int maxZ); 
    bool                                        CalculateUnitcellCount(); 
    void                                        ArrangeUnitCell(CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    void                                        CheckingNeighborCandiate(); 
    double*                                     Serialize(double fXLayer); 
    void                                        Deserialize(std::vector<CKNGeometricUnitCell> *pVectUnitCell, double *pBuffer, bool bFrontSide); 
    void                                        BuildGeoFileName(char *pszFileName, CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 

    bool                                        SetMapInfoSize(LPNEIGHBOR_MAP_INFO lpMapInfo, double fSize); 

public:
    static void                                 SetShapeInformation(CKNGeometricShape &shape, CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    static bool                                 SetAtomAndNeighborInformation(CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    static void                                 FreeMapInfo(LPNEIGHBOR_MAP_INFO lpMapInfo); 
    static CKNGeometricUnitCellInfo_zincblende  m_UnitCellInfo_zincblende;
    static CKNGeometricUnitCellInfo_cubic       m_UnitCellInfo_cubic;
    static IKNGeometricUnitCellInfo             *m_pUnitCellInfo; 
    static CKNMatrixOperation::CKNDMatrix       m_rotationMatrix; 

private:
    static void                                 BuildRotationMatrix(double fDegree[2]); 
    static void                                 CalculateDegree(CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 

};