CGeometricUnitCellInfo_cubic Class Reference

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

#include "GeometricUnitCellInfo_cubic.h"

Inheritance diagram for CGeometricUnitCellInfo_cubic:

Collaboration diagram for CGeometricUnitCellInfo_cubic:

Public Member Functions
	CGeometricUnitCellInfo_cubic ()
	~CGeometricUnitCellInfo_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 IGeometricUnitCellInfo
void	InitCoordination ()
	Initial Coordination information. More...
int	GetA2CNeighborCount ()
	Get neigbhor relation count. More...
int	GetC2ANeighborCount ()
	Get neigbhor relation count. More...
	IGeometricUnitCellInfo ()
	~IGeometricUnitCellInfo ()
unsigned int	GetAnionCount ()
unsigned int	GetCationCount ()
	Get anion count in Unitcell. More...
double *	GetUnitcCellSize ()
	Get cation count in Unitcell. More...
CGeometricCoordination	GetAtomCoordination (CGeometricAtom::ATOM_TYPE atomType, unsigned int nIndex)
	Get Unitcell size x, y, z direction axis. More...
CGeometricCoordination	GetNeighborCoordination (CGeometricAtom::NEIGHOR_RELATION neighborType, unsigned int nIndex)
	Get neigbhor atom coordination from Unitcell. More...
void	RotateNeighbor (CMatrixOperation::CDMatrix *pRotationMatrix)
	Rotating neighbor coordination. More...
void	RotateAxis (CMatrixOperation::CDMatrix *pRotationMatrix)
	Rotating axis. More...

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

Definition at line 14 of file GeometricUnitCellInfo_cubic.h.

Constructor & Destructor Documentation

CGeometricUnitCellInfo_cubic::CGeometricUnitCellInfo_cubic

(

)

Definition at line 10 of file GeometricUnitCellInfo_cubic.cpp.

{
}

CGeometricUnitCellInfo_cubic::~CGeometricUnitCellInfo_cubic

(

)

Definition at line 14 of file GeometricUnitCellInfo_cubic.cpp.

{
}

Member Function Documentation

void CGeometricUnitCellInfo_cubic::SetAtomCoordination ( )

virtual

Atom coordination setting.

Implements IGeometricUnitCellInfo.

Definition at line 18 of file GeometricUnitCellInfo_cubic.cpp.

References CGeometricAtom::A, IGeometricUnitCellInfo::m_UnitCellSize, and IGeometricUnitCellInfo::SetAtomCoordination().

{
    IGeometricUnitCellInfo::SetAtomCoordination(CGeometricAtom::A, m_UnitCellSize[0], m_UnitCellSize[1], m_UnitCellSize[2]);
}

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void CGeometricUnitCellInfo_cubic::SetNeighborCoordination ( )

virtual

Neighbor atom coordiantion setting.

Implements IGeometricUnitCellInfo.

Definition at line 23 of file GeometricUnitCellInfo_cubic.cpp.

References CGeometricAtom::A2C, IGeometricUnitCellInfo::m_UnitCellSize, and IGeometricUnitCellInfo::SetNeighborCoordination().

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

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

virtual

Unitcell size setting.

Parameters

fUnitcellSize

Unitcell size for x, y, z direciton

Implements IGeometricUnitCellInfo.

Definition at line 36 of file GeometricUnitCellInfo_cubic.cpp.

References IGeometricUnitCellInfo::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/GeometricUnitCellInfo_cubic.h
• D:/For Doxygen/GeometricUnitCellInfo_cubic.cpp