KNGeometricUnitCell.h

Go to the documentation of this file.

#pragma once
#include <vector>
#include <string>
#include "KNGeometricCoordination.h"
#include "KNGeometricAtomFactory.h"
#include "KNGeometricAtom.h"
#include "KNCommandFileParser.h"
class CKNGeometricUnitCell
{
public:
    CKNGeometricUnitCell();
    ~CKNGeometricUnitCell();

    static void                             SetLength(double fLength[3], double fOriginLength[3]); 
    static double                           GetLength(AXIS_DEFINE index){ return m_fLength[index]; }; 
    static void                             ResetSubElementID(){ m_SubElementID = 0; }; 
    static double                           GetSubElementID(){ return m_SubElementID;}; 
    static int                              m_nFullFillIndex; 
    
    CKNGeometricCoordination                GetCoordination(){ return m_coordination; }; 
    void                                    SetCoordination(CKNGeometricCoordination coordination); 
    void                                    SetCoordination(double* pfCoordination); 
    void                                    SetCoordination(double fXCoordination, double fYCoordination, double fZCoordination); 
    void                                    SetID(double fID){ m_fUnitCellID = fID; }; 
    double                                  GetID(){ return m_fUnitCellID; }; 
    void                                    ShiftID(double fShift); 
    void                                    ArrangeAtom(CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    unsigned int                            NumberingSubElement(CKNGeometricCoordination ShapeCoordination, double fLength[3], int nShapeType, char *pszDomainMatName); 
    void                                    SetSubDomainMaterial(CKNCommandFileParser::LPINPUT_CMD_PARAM lpParam); 
    double*                                 GetAssignedIndex(){ return m_fAssignedIndex; }; 
    void                                    SetAssignIndex(double  fXAssignIndex, double fYAssignIndex, double fZAssignIndex); 
    void                                    CheckingNeighborCandiate(double fAssignedCount[3], bool bFrontFace, bool bBackEnd); 
    int                                     GetSubElementSize(){ return m_vectIntenalAtom.size(); }; 
    CKNGeometricAtom*                       GetSubElementAt(double fIndex); 
    CKNGeometricAtom*                       GetSubElementByID(double fID); 
    std::vector<double>*                    GetNeighborCellID(){ return &m_vectNeighborCellID; }; 
    void                                    ShiftAtomID(double fShift); 
    void                                    SetUnitcellList(std::vector<CKNGeometricUnitCell> *pVect, std::vector<CKNGeometricUnitCell> *pVectPrev, std::vector<CKNGeometricUnitCell> *pVectNext); 
    void                                    BuildNeighborInformation(double *pfAssignCount, std::vector<CKNGeometricAtom*> *pSurfaceList); 
    void                                    Serialize(double *pBuffer); 
    void                                    Deserialize(double *pBuffer); 
    void                                    SetPeriodic(bool bPeriodic, int periodicDirection); 
    bool                                    IsPeriodicUnitCell(){ return m_bPeriodicElement; } 
    static double                           CalculatingIndex(double fXAssignedIndex, double fYAssignedIndex, double fZAssignedIndex, double fAssignedCount[3]); 
    void                                    CopyInnerAtomIndex(CKNGeometricUnitCell srcUnitCell); 
    static void                             SetFullFillIndex(int nIndex){ m_nFullFillIndex = nIndex; } 
    
private:
    int                                     IsMachedNeighborRule(CKNGeometricAtom *pCompare1, CKNGeometricAtom *pCompare2, std::vector<CKNGeometricCoordination> *pNeighborRelation, int &nCheckFill); 
    void                                    FinalSubElement(); 
    bool                                    FindingNeighborInUnitcell(CKNGeometricUnitCell *pUnitcell, CKNGeometricAtom *pCompare1, CKNGeometricAtom::ATOM_TYPE type1, std::vector<CKNGeometricCoordination> *pNeighborRelation, int &nCheckFill); 
    void                                    SetPeriodicDirection(int periodicDirection); 
    void                                    AddPeridoicDirection(CKNGeometricAtom::PERIODIC_DIRECTION periodicDirection); 

    static double                           m_fLength[3]; 
    static double                           m_SubElementID; 
    double                                  m_fAssignedIndex[3]; 
    std::vector<CKNGeometricUnitCell>       *m_vectUnitCellInShape; 
    std::vector<CKNGeometricUnitCell>       *m_vectUnitCellInPrev; 
    std::vector<CKNGeometricUnitCell>       *m_vectUnitCellInNext; 
    CKNGeometricCoordination                m_coordination; 
    std::vector<CKNGeometricAtom>           m_vectIntenalAtom; 
    std::vector<double>                     m_vectNeighborCellID; 
    double                                  m_fUnitCellID; 
    bool                                    m_bPeriodicElement; 
    int                                     m_periodicDirection; 
};