CKNGeometricUnitCellInfo_cubic Class Reference

Class for Geometric unit cell for cubic. More...

#include "KNGeometricUnitCellInfo_cubic.h"

Inheritance diagram for CKNGeometricUnitCellInfo_cubic:

Collaboration diagram for CKNGeometricUnitCellInfo_cubic:

Public Member Functions
	CKNGeometricUnitCellInfo_cubic ()
	~CKNGeometricUnitCellInfo_cubic ()
virtual void	SetAtomCoordination ()
	Atom coordination setting. More...
virtual void	SetNeighborCoordination ()
	Neighbor atom coordiantion setting. More...
virtual void	SetUnitCellSize (double fUnitcellSize[3])
	Unitcell size setting. More...
Public Member Functions inherited from IKNGeometricUnitCellInfo
void	InitCoordination ()
	Initial Coordination information. More...
int	GetA2CNeighborCount ()
	Get neigbhor relation count. More...
int	GetC2ANeighborCount ()
	Get neigbhor relation count. More...
	IKNGeometricUnitCellInfo ()
	~IKNGeometricUnitCellInfo ()
unsigned int	GetAnionCount ()
unsigned int	GetCationCount ()
	Get anion count in Unitcell. More...
double *	GetUnitcCellSize ()
	Get cation count in Unitcell. More...
CKNGeometricCoordination	GetAtomCoordination (CKNGeometricAtom::ATOM_TYPE atomType, unsigned int nIndex)
	Get Unitcell size x, y, z direction axis. More...
CKNGeometricCoordination	GetNeighborCoordination (CKNGeometricAtom::NEIGHOR_RELATION neighborType, unsigned int nIndex)
	Get neigbhor atom coordination from Unitcell. More...
void	RotateNeighbor (CKNMatrixOperation::CKNDMatrix *pRotationMatrix)
	Rotating neighbor coordination. More...
void	RotateAxis (CKNMatrixOperation::CKNDMatrix *pRotationMatrix)
	Rotating axis. More...

Additional Inherited Members
Protected Member Functions inherited from IKNGeometricUnitCellInfo
void	SetAtomCoordination (CKNGeometricAtom::ATOM_TYPE type, double x, double y, double z)
	Set single atom coordination. More...
void	SetNeighborCoordination (CKNGeometricAtom::NEIGHOR_RELATION type, double x, double y, double z)
	Set single neighbor coordination. More...
Protected Attributes inherited from IKNGeometricUnitCellInfo
double	m_UnitCellSize [3]
	Unitcell size x, y, z direction axis. More...
double	m_NeigbhorOriginSize [3]
	For neighbor distance calculation. More...
std::vector< CKNGeometricAtom >	m_vectAtomList_1
	Atom list in Unitcell for anion. More...
std::vector< CKNGeometricAtom >	m_vectAtomList_2
	Atom list in Unitcell for cation. More...
std::vector < CKNGeometricCoordination >	m_vectNeighborRelation1To2
	Neighbor relation list in Unitcell for anion to cation. More...
std::vector < CKNGeometricCoordination >	m_vectNeighborRelation2To1
	Neighbor relation list in Unitcell for cation to anion. More...

Detailed Description

Class for Geometric unit cell for cubic.

Date

24/June/2015

Author

Kyu Nam Cho(mysto.nosp@m.us@k.nosp@m.orea..nosp@m.ac.k.nosp@m.r), Hoon Ryu(elec1.nosp@m.020@.nosp@m.gmail.nosp@m..com)

Definition at line 16 of file KNGeometricUnitCellInfo_cubic.h.

Constructor & Destructor Documentation

CKNGeometricUnitCellInfo_cubic::CKNGeometricUnitCellInfo_cubic

(

)

Definition at line 11 of file KNGeometricUnitCellInfo_cubic.cpp.

{
}

CKNGeometricUnitCellInfo_cubic::~CKNGeometricUnitCellInfo_cubic

(

)

Definition at line 15 of file KNGeometricUnitCellInfo_cubic.cpp.

{
}

Member Function Documentation

void CKNGeometricUnitCellInfo_cubic::SetAtomCoordination ( )

virtual

Atom coordination setting.

Implements IKNGeometricUnitCellInfo.

Definition at line 19 of file KNGeometricUnitCellInfo_cubic.cpp.

References CKNGeometricAtom::A, IKNGeometricUnitCellInfo::m_UnitCellSize, and IKNGeometricUnitCellInfo::SetAtomCoordination().

{
    IKNGeometricUnitCellInfo::SetAtomCoordination(CKNGeometricAtom::A, m_UnitCellSize[0], m_UnitCellSize[1], m_UnitCellSize[2]);
}

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void CKNGeometricUnitCellInfo_cubic::SetNeighborCoordination ( )

virtual

Neighbor atom coordiantion setting.

Implements IKNGeometricUnitCellInfo.

Definition at line 24 of file KNGeometricUnitCellInfo_cubic.cpp.

References CKNGeometricAtom::A2C, IKNGeometricUnitCellInfo::m_UnitCellSize, and IKNGeometricUnitCellInfo::SetNeighborCoordination().

{
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, m_UnitCellSize[0], 0.0, 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, -1 * m_UnitCellSize[0], 0.0, 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, m_UnitCellSize[1], 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, -1*m_UnitCellSize[1], 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, 0.0, m_UnitCellSize[2]);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, 0.0, -1*m_UnitCellSize[2]);
}

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void CKNGeometricUnitCellInfo_cubic::SetUnitCellSize ( double  fUnitcellSize[3] )

virtual

Unitcell size setting.

Parameters

fUnitcellSize

Unitcell size for x, y, z direciton

Implements IKNGeometricUnitCellInfo.

Definition at line 37 of file KNGeometricUnitCellInfo_cubic.cpp.

References IKNGeometricUnitCellInfo::m_UnitCellSize.

{
    m_UnitCellSize[0] = fUnitcellSize[0];
    m_UnitCellSize[1] = fUnitcellSize[1];
    m_UnitCellSize[2] = fUnitcellSize[2];
}

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The documentation for this class was generated from the following files:

• D:/For Doxygen/KNGeometricUnitCellInfo_cubic.h
• D:/For Doxygen/KNGeometricUnitCellInfo_cubic.cpp