CGeometricAtomFactory Class Reference

Factory class for create CKNGeometricAtom instance. More...

#include "GeometricAtomFactory.h"

Collaboration diagram for CGeometricAtomFactory:

Public Member Functions
	CGeometricAtomFactory ()
	~CGeometricAtomFactory ()

Static Public Member Functions
static void	SetAtomCoordination (CGeometricAtom::ATOM_TYPE type, double x, double y, double z)
	Setting atom coordination. More...
static void	SetNeighborCoordination (CGeometricAtom::NEIGHOR_RELATION type, double x, double y, double z)
	Setting neighbor coordination. More...
static void	SetRatio (double fRatio[3])
	Set ratio that applying to length, atom coordination and neighbor position. More...
static void	SetUnitCellSize (double fSize[3])
	Set unitcell size. More...
static void	FreeFactoryData ()
	Release all setting data. More...
static int	GetAtomCountInUnitcell ()
static MATERIAL_INDEX	GetMaterialNumber (char *pszMaterialName, CGeometricAtom::ATOM_TYPE type)
	Get total atom counts in unit cell. More...
static MATERIAL_INDEX	GetMaterialNumber (char *pszMaterialName)
	Get Atom number that mean material of atom number. More...
static void	InitAtomList ()
static void	InitNeighborList ()
static unsigned int	GetNeighborCount ()

Static Private Attributes
static std::vector < CGeometricAtom >	m_vectAtomList_1
	Get total Neighbor count in unit cell. More...
static std::vector < CGeometricAtom >	m_vectAtomList_2
	Atom array for cation. More...
static std::vector < CGeometricCoordination >	m_vectNeighborRelation1To2
	Neighbor relationship from anion to cation. More...
static std::vector < CGeometricCoordination >	m_vectNeighborRelation2To1
	Neighbor relationship from cation to anion. More...

Friends
class	CGeometricUnitCell

Detailed Description

Factory class for create CKNGeometricAtom instance.

Date

03/Oct/2014

Definition at line 17 of file GeometricAtomFactory.h.

Constructor & Destructor Documentation

CGeometricAtomFactory::CGeometricAtomFactory

(

)

Definition at line 17 of file GeometricAtomFactory.cpp.

{
}

CGeometricAtomFactory::~CGeometricAtomFactory

(

)

Definition at line 22 of file GeometricAtomFactory.cpp.

{
}

Member Function Documentation

void CGeometricAtomFactory::FreeFactoryData ( )

static

Release all setting data.

Definition at line 105 of file GeometricAtomFactory.cpp.

References m_vectAtomList_1, m_vectAtomList_2, m_vectNeighborRelation1To2, and m_vectNeighborRelation2To1.

{
    m_vectAtomList_1.clear();
    m_vectAtomList_2.clear();
    m_vectNeighborRelation1To2.clear();
    m_vectNeighborRelation2To1.clear();
}

static int CGeometricAtomFactory::GetAtomCountInUnitcell ( )

inlinestatic

Definition at line 28 of file GeometricAtomFactory.h.

References m_vectAtomList_1, and m_vectAtomList_2.

Referenced by CGeometricUnitCell::AddPeridoicDirection(), CGeometricUnitCell::Deserialize(), CGeometricShape::Deserialize(), CGeometricShape::ExchangeAtomInfoBetweenNode(), CGeometricShape::Serialize(), CGeometricUnitCell::SetPeriodic(), and CGeometricUnitCell::SetPeriodicDirection().

{ return m_vectAtomList_1.size() + m_vectAtomList_2.size();}; 

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MATERIAL_INDEX CGeometricAtomFactory::GetMaterialNumber ( char *  pszMaterialName, CGeometricAtom::ATOM_TYPE  type  )

static

Get total atom counts in unit cell.

Get Atom number that mean material of atom number

Parameters

pszMaterialName	Material name
type	Atom type

Returns

Material number

Definition at line 118 of file GeometricAtomFactory.cpp.

References CGeometricAtom::A, As, ATOM_NUM_BASE, CGeometricAtom::C, Ga, In, and Si.

Referenced by CGeometricUnitCell::ArrangeAtom(), CGeometricShape::BuildPEBiasVector(), CGeometricShape::BuildPEHamiltonian(), CGeometricUnitCell::NumberingSubElement(), and CGeometricUnitCell::SetSubDomainMaterial().

{
    if (!strcmp(pszMaterialName, "Si"))
    {
        return Si;
    }
    else if (!strcmp(pszMaterialName, "GaAs"))
    {
        //return GaAs;
        switch (type)
        {
        case CGeometricAtom::A:
            return Ga;
            break;
        case CGeometricAtom::C:
            return As;
            break;
        }
    }
    else if (!strcmp(pszMaterialName, "InAs"))
    {
        //return InAs;
        switch (type)
        {
        case CGeometricAtom::A:
            return In;
            break;
        case CGeometricAtom::C:
            return As;
            break;
        }
    }

    return ATOM_NUM_BASE;
}

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MATERIAL_INDEX CGeometricAtomFactory::GetMaterialNumber ( char *  pszMaterialName )

static

Get Atom number that mean material of atom number.

Parameters

pszMaterialName

Material name

Returns

Material number

Definition at line 158 of file GeometricAtomFactory.cpp.

References ATOM_NUM_BASE, GaAs, InAs, and Si.

{
    if (!strcmp(pszMaterialName, "Si"))
    {
        return Si;
    }
    else if (!strcmp(pszMaterialName, "GaAs"))
    {
        return GaAs;
    }
    else if (!strcmp(pszMaterialName, "InAs"))
    {
        return InAs;
    }

    return ATOM_NUM_BASE;
}

static unsigned int CGeometricAtomFactory::GetNeighborCount ( )

inlinestatic

Definition at line 33 of file GeometricAtomFactory.h.

{ return m_vectNeighborRelation1To2.size() + m_vectNeighborRelation2To1.size(); }; 

void CGeometricAtomFactory::InitAtomList ( )

static

Definition at line 176 of file GeometricAtomFactory.cpp.

References m_vectAtomList_1, and m_vectAtomList_2.

Referenced by CGeometricShape::SetAtomAndNeighborInformation().

{
    m_vectAtomList_1.clear();
    m_vectAtomList_2.clear();
}

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void CGeometricAtomFactory::InitNeighborList ( )

static

Definition at line 182 of file GeometricAtomFactory.cpp.

References m_vectNeighborRelation1To2, and m_vectNeighborRelation2To1.

Referenced by CGeometricShape::SetAtomAndNeighborInformation().

{
    m_vectNeighborRelation1To2.clear();
    m_vectNeighborRelation2To1.clear();
}

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void CGeometricAtomFactory::SetAtomCoordination ( CGeometricAtom::ATOM_TYPE  type, double  x, double  y, double  z  )

static

Setting atom coordination.

Parameters

type	Atom type
x	x coordination
y	y coordination
z	z coordination

Definition at line 32 of file GeometricAtomFactory.cpp.

References CGeometricAtom::A, ATOM_NUM_BASE, CGeometricAtom::C, m_vectAtomList_1, m_vectAtomList_2, CGeometricAtom::SetCoordination(), and CGeometricAtom::SetType().

Referenced by CGeometricShape::SetAtomAndNeighborInformation().

{
    CGeometricAtom          atom;

    atom.SetType(type, ATOM_NUM_BASE);
    atom.SetCoordination(x, y, z);

    switch (type)
    {
    case CGeometricAtom::A:
        m_vectAtomList_1.push_back(atom);
        break;
    case CGeometricAtom::C:
        m_vectAtomList_2.push_back(atom);
        break;
    }
}

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void CGeometricAtomFactory::SetNeighborCoordination ( CGeometricAtom::NEIGHOR_RELATION  type, double  x, double  y, double  z  )

static

Setting neighbor coordination.

Parameters

type	Neighbor relationship type
x	x axis distance
y	y axis distance
z	z axis distance

Definition at line 56 of file GeometricAtomFactory.cpp.

References CGeometricAtom::A2C, CGeometricAtom::C2A, m_vectNeighborRelation1To2, m_vectNeighborRelation2To1, and CGeometricCoordination::SetCoordination().

Referenced by CGeometricShape::SetAtomAndNeighborInformation().

{
    CGeometricCoordination      relationCoordnation;

    relationCoordnation.SetCoordination(x, y, z);
    
    switch (type)
    {
    case CGeometricAtom::A2C:
        m_vectNeighborRelation1To2.push_back(relationCoordnation);
        break;
    case CGeometricAtom::C2A:
        m_vectNeighborRelation2To1.push_back(relationCoordnation);
        break;
    }
}

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void CGeometricAtomFactory::SetRatio ( double  fRatio[3] )

static

Set ratio that applying to length, atom coordination and neighbor position.

Parameters

fRatio

Ration for x, y, z direction

Definition at line 76 of file GeometricAtomFactory.cpp.

References m_vectAtomList_1, m_vectAtomList_2, m_vectNeighborRelation1To2, and m_vectNeighborRelation2To1.

Referenced by SetUnitCellSize().

{
    int             i, nSize;

    nSize = m_vectAtomList_1.size();
    for (i = 0; i < nSize; ++i)
        m_vectAtomList_1[i].SetRatio(fRatio);

    nSize = m_vectAtomList_2.size();
    for (i = 0; i < nSize; ++i)
        m_vectAtomList_2[i].SetRatio(fRatio);

    nSize = m_vectNeighborRelation1To2.size();
    for (i = 0; i < nSize; ++i)
        m_vectNeighborRelation1To2[i].SetRatio(fRatio);

    nSize = m_vectNeighborRelation2To1.size();
    for (i = 0; i < nSize; ++i)
        m_vectNeighborRelation2To1[i].SetRatio(fRatio);
}

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void CGeometricAtomFactory::SetUnitCellSize ( double  fSize[3] )

static

Set unitcell size.

Parameters

fSize

size for x, y, z direction

Definition at line 100 of file GeometricAtomFactory.cpp.

References SetRatio().

{
    SetRatio(fSize);
}

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Friends And Related Function Documentation

friend class CGeometricUnitCell

friend

Definition at line 42 of file GeometricAtomFactory.h.

Member Data Documentation

std::vector< CGeometricAtom > CGeometricAtomFactory::m_vectAtomList_1

staticprivate

Get total Neighbor count in unit cell.

Atom array for anion

Definition at line 33 of file GeometricAtomFactory.h.

Referenced by CGeometricUnitCell::ArrangeAtom(), FreeFactoryData(), GetAtomCountInUnitcell(), InitAtomList(), SetAtomCoordination(), and SetRatio().

std::vector< CGeometricAtom > CGeometricAtomFactory::m_vectAtomList_2

staticprivate

Atom array for cation.

Definition at line 37 of file GeometricAtomFactory.h.

Referenced by CGeometricUnitCell::ArrangeAtom(), FreeFactoryData(), GetAtomCountInUnitcell(), InitAtomList(), SetAtomCoordination(), and SetRatio().

std::vector< CGeometricCoordination > CGeometricAtomFactory::m_vectNeighborRelation1To2

staticprivate

Neighbor relationship from anion to cation.

Definition at line 39 of file GeometricAtomFactory.h.

Referenced by CGeometricUnitCell::BuildNeighborInformation(), FreeFactoryData(), InitNeighborList(), SetNeighborCoordination(), and SetRatio().

std::vector< CGeometricCoordination > CGeometricAtomFactory::m_vectNeighborRelation2To1

staticprivate

Neighbor relationship from cation to anion.

Definition at line 40 of file GeometricAtomFactory.h.

Referenced by CGeometricUnitCell::BuildNeighborInformation(), FreeFactoryData(), InitNeighborList(), SetNeighborCoordination(), and SetRatio().

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

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