G4CrystalExtension Class Reference

#include <G4CrystalExtension.hh>

Inheritance diagram for G4CrystalExtension:

Public Types
typedef G4double	Elasticity[3][3][3][3]
typedef G4double	ReducedElasticity[6][6]

Public Member Functions
void	AddAtomBase (const G4Element *anElement, G4CrystalAtomBase *aBase)
void	AddAtomBase (G4int anElIdx, G4CrystalAtomBase *aLattice)
void	AddAtomicBond (G4AtomicBond *aBond)
G4complex	ComputeStructureFactor (G4double kScatteringVector, G4int h, G4int k, G4int l)
G4complex	ComputeStructureFactorGeometrical (G4int h, G4int k, G4int l)
	G4CrystalExtension (G4Material *, const G4String &name="crystal")
G4CrystalAtomBase *	GetAtomBase (const G4Element *anElement)
G4CrystalAtomBase *	GetAtomBase (G4int anElIdx)
G4AtomicBond *	GetAtomicBond (G4int idx)
std::vector< G4AtomicBond * >	GetAtomicBondVector ()
G4bool	GetAtomPos (const G4Element *anEl, std::vector< G4ThreeVector > &vecout)
G4bool	GetAtomPos (G4int anElIdx, std::vector< G4ThreeVector > &vecout)
G4bool	GetAtomPos (std::vector< G4ThreeVector > &vecout)
G4double	GetCijkl (G4int i, G4int j, G4int k, G4int l) const
G4double	GetCpq (G4int p, G4int q) const
const Elasticity &	GetElasticity () const
const ReducedElasticity &	GetElReduced () const
const std::size_t &	GetHash () const
G4Material *	GetMaterial ()
const G4String &	GetName () const
G4CrystalUnitCell *	GetUnitCell () const
void	Print () const
void	SetCpq (G4int p, G4int q, G4double value)
void	SetElReduced (const ReducedElasticity &mat)
void	SetMaterial (G4Material *aMat)
void	SetUnitCell (G4CrystalUnitCell *aUC)
	~G4CrystalExtension ()

Protected Attributes
Elasticity	fElasticity
ReducedElasticity	fElReduced
const std::size_t	fHash
const G4String &	fName

Private Attributes
G4Material *	fMaterial
std::vector< G4AtomicBond * >	theAtomicBondVector
std::map< const G4Element *, G4CrystalAtomBase * >	theCrystalAtomBaseMap
G4CrystalUnitCell *	theUnitCell

Detailed Description

Definition at line 60 of file G4CrystalExtension.hh.

Member Typedef Documentation

Elasticity

typedef G4double G4CrystalExtension::Elasticity[3][3][3][3]

Definition at line 96 of file G4CrystalExtension.hh.

ReducedElasticity

typedef G4double G4CrystalExtension::ReducedElasticity[6][6]

Definition at line 97 of file G4CrystalExtension.hh.

Constructor & Destructor Documentation

G4CrystalExtension()

G4CrystalExtension::G4CrystalExtension	(	G4Material *	mat,
		const G4String &	name = "crystal"
	)

Definition at line 39 of file G4CrystalExtension.cc.

                                                                          :
G4VMaterialExtension(name),
fMaterial(mat),
theUnitCell(0){;}

~G4CrystalExtension()

G4CrystalExtension::~G4CrystalExtension

(

)

Definition at line 46 of file G4CrystalExtension.cc.

{;}

Member Function Documentation

AddAtomBase() [1/2]

void G4CrystalExtension::AddAtomBase ( const G4Element *  anElement, G4CrystalAtomBase *  aBase  )

inline

Definition at line 128 of file G4CrystalExtension.hh.

                                                                         {
        theCrystalAtomBaseMap.insert(std::pair<const G4Element*,G4CrystalAtomBase*>(anElement,aBase));
    }

References theCrystalAtomBaseMap.

Referenced by AddAtomBase(), and GetAtomBase().

AddAtomBase() [2/2]

void G4CrystalExtension::AddAtomBase ( G4int  anElIdx, G4CrystalAtomBase *  aLattice  )

inline

Definition at line 137 of file G4CrystalExtension.hh.

                                                               {
        AddAtomBase(fMaterial->GetElement(anElIdx),aLattice);
    }

References AddAtomBase(), fMaterial, and G4Material::GetElement().

AddAtomicBond()

void G4CrystalExtension::AddAtomicBond ( G4AtomicBond *  aBond )

inline

Definition at line 175 of file G4CrystalExtension.hh.

{theAtomicBondVector.push_back(aBond);};

References theAtomicBondVector.

ComputeStructureFactor()

G4complex G4CrystalExtension::ComputeStructureFactor	(	G4double	kScatteringVector,
		G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 50 of file G4CrystalExtension.cc.

                               {
    //SF == Structure Factor
    //AFF == Atomic Form Factor
    //GFS == Geometrical Structure Factor
    G4complex SF = G4complex(0.,0.);
 
    for(auto anElement: *(fMaterial->GetElementVector())){
        G4double AFF = G4AtomicFormFactor::GetManager()->Get(kScatteringVector,anElement->GetZ());
        
        G4complex GFS = G4complex(0.,0.);
        
        for(auto anAtomPos: GetAtomBase(anElement)->GetPos())
        {
            G4double aDouble = h * anAtomPos.x()
            + k * anAtomPos.y()
            + l * anAtomPos.z();
            GFS += G4complex(std::cos(2 * CLHEP::pi * aDouble),
                             std::sin(2 * CLHEP::pi * aDouble));
        }
 
        
        SF += G4complex(AFF * GFS.real(),AFF * GFS.imag());
    }
    return SF;
}

References fMaterial, G4AtomicFormFactor::Get(), GetAtomBase(), G4Material::GetElementVector(), G4AtomicFormFactor::GetManager(), and CLHEP::pi.

ComputeStructureFactorGeometrical()

G4complex G4CrystalExtension::ComputeStructureFactorGeometrical	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 82 of file G4CrystalExtension.cc.

                                          {
    //GFS == Geometrical Structure Form Factor
    G4complex GFS = G4complex(0.,0.);
    
    for(auto anElement: *(fMaterial->GetElementVector())){
        for(auto anAtomPos: GetAtomBase(anElement)->GetPos())
        {
            G4double aDouble = h * anAtomPos.x()
            + k * anAtomPos.y()
            + l * anAtomPos.z();
            GFS += G4complex(std::cos(2 * CLHEP::pi * aDouble),
                             std::sin(2 * CLHEP::pi * aDouble));
        }
    }
    return GFS;
}

References fMaterial, GetAtomBase(), G4Material::GetElementVector(), and CLHEP::pi.

GetAtomBase() [1/2]

G4CrystalAtomBase * G4CrystalExtension::GetAtomBase

(

const G4Element *

anElement

)

Definition at line 120 of file G4CrystalExtension.cc.

                                                                            {
    if((theCrystalAtomBaseMap.count(anElement)<1)){
        G4String astring =  "Atom base for element " + anElement->GetName()
        + " is not registered." ;
        G4Exception ("G4CrystalExtension::GetAtomBase()", "cry001", JustWarning,astring);
        
        AddAtomBase(anElement, new G4CrystalAtomBase());
    }
    return theCrystalAtomBaseMap[anElement];
}

References AddAtomBase(), G4Exception(), G4Element::GetName(), JustWarning, and theCrystalAtomBaseMap.

Referenced by ComputeStructureFactor(), ComputeStructureFactorGeometrical(), GetAtomBase(), and GetAtomPos().

GetAtomBase() [2/2]

G4CrystalAtomBase * G4CrystalExtension::GetAtomBase ( G4int  anElIdx )

inline

Definition at line 133 of file G4CrystalExtension.hh.

                                                 {
        return GetAtomBase(fMaterial->GetElement(anElIdx));
    }

References fMaterial, GetAtomBase(), and G4Material::GetElement().

GetAtomicBond()

G4AtomicBond * G4CrystalExtension::GetAtomicBond ( G4int  idx )

inline

Definition at line 176 of file G4CrystalExtension.hh.

{return theAtomicBondVector[idx];};

References theAtomicBondVector.

GetAtomicBondVector()

std::vector< G4AtomicBond * > G4CrystalExtension::GetAtomicBondVector ( )

inline

Definition at line 177 of file G4CrystalExtension.hh.

{return theAtomicBondVector;};

References theAtomicBondVector.

GetAtomPos() [1/3]

G4bool G4CrystalExtension::GetAtomPos	(	const G4Element *	anEl,
		std::vector< G4ThreeVector > &	vecout
	)

Definition at line 133 of file G4CrystalExtension.cc.

                                                                                            {
    std::vector<G4ThreeVector> pos;
    for(auto asinglepos: GetAtomBase(anEl)->GetPos()){
        pos.clear();
        theUnitCell->FillAtomicPos(asinglepos,pos);
        vecout.insert(std::end(vecout), std::begin(pos), std::end(pos));
    }
    return true;
}

References G4CrystalUnitCell::FillAtomicPos(), GetAtomBase(), pos, and theUnitCell.

Referenced by GetAtomPos().

GetAtomPos() [2/3]

G4bool G4CrystalExtension::GetAtomPos ( G4int  anElIdx, std::vector< G4ThreeVector > &  vecout  )

inline

Definition at line 148 of file G4CrystalExtension.hh.

                                                                      {
        GetAtomPos(fMaterial->GetElement(anElIdx),vecout);
        return true;
    }

References fMaterial, GetAtomPos(), and G4Material::GetElement().

GetAtomPos() [3/3]

G4bool G4CrystalExtension::GetAtomPos

(

std::vector< G4ThreeVector > &

vecout

)

Definition at line 145 of file G4CrystalExtension.cc.

                                                                     {
    std::vector<G4ThreeVector> pos;
    vecout.clear();
    for(auto anElement: *(fMaterial->GetElementVector())){
        pos.clear();
        GetAtomPos(anElement,pos);
        vecout.insert(std::end(vecout), std::begin(pos), std::end(pos));
    }
    return true;
}

References fMaterial, GetAtomPos(), G4Material::GetElementVector(), and pos.

GetCijkl()

G4double G4CrystalExtension::GetCijkl ( G4int  i, G4int  j, G4int  k, G4int  l  ) const

inline

Definition at line 108 of file G4CrystalExtension.hh.

                                                                {
        return fElasticity[i][j][k][l];
    }

References fElasticity.

GetCpq()

G4double G4CrystalExtension::GetCpq ( G4int  p, G4int  q  ) const

inline

Definition at line 116 of file G4CrystalExtension.hh.

{ return fElReduced[p-1][q-1]; }

References fElReduced.

GetElasticity()

const Elasticity & G4CrystalExtension::GetElasticity ( ) const

inline

Definition at line 104 of file G4CrystalExtension.hh.

{ return fElasticity; }

References fElasticity.

GetElReduced()

const ReducedElasticity & G4CrystalExtension::GetElReduced ( ) const

inline

Definition at line 105 of file G4CrystalExtension.hh.

{ return fElReduced; }

References fElReduced.

GetHash()

const std::size_t & G4VMaterialExtension::GetHash ( ) const

inlineinherited

Definition at line 71 of file G4VMaterialExtension.hh.

{ return fHash;}

References G4VMaterialExtension::fHash.

GetMaterial()

G4Material * G4CrystalExtension::GetMaterial ( )

inline

Definition at line 75 of file G4CrystalExtension.hh.

{return fMaterial;};

References fMaterial.

GetName()

const G4String & G4VMaterialExtension::GetName ( ) const

inlineinherited

Definition at line 73 of file G4VMaterialExtension.hh.

{ return fName; }

References G4VMaterialExtension::fName.

GetUnitCell()

G4CrystalUnitCell * G4CrystalExtension::GetUnitCell ( ) const

inline

Definition at line 88 of file G4CrystalExtension.hh.

              {return theUnitCell;}

References theUnitCell.

Referenced by G4LogicalCrystalVolume::GetBasis().

Print()

void G4CrystalExtension::Print ( ) const

inlinevirtual

Implements G4VMaterialExtension.

Definition at line 70 of file G4CrystalExtension.hh.

{;};

SetCpq()

void G4CrystalExtension::SetCpq	(	G4int	p,
		G4int	q,
		G4double	value
	)

Definition at line 114 of file G4CrystalExtension.cc.

                                                                {
    if (p>0 && p<7 && q>0 && q<7) fElReduced[p-1][q-1] = value;
}

References fElReduced.

SetElReduced()

void G4CrystalExtension::SetElReduced

(

const ReducedElasticity &

mat

)

Definition at line 104 of file G4CrystalExtension.cc.

                                                                  {
    for (size_t i=0; i<6; i++) {
        for (size_t j=0; j<6; j++) {
            fElReduced[i][j] = mat[i][j];
        }
    }
}

References fElReduced.

SetMaterial()

void G4CrystalExtension::SetMaterial ( G4Material *  aMat )

inline

Definition at line 76 of file G4CrystalExtension.hh.

{fMaterial = aMat;};

References fMaterial.

SetUnitCell()

void G4CrystalExtension::SetUnitCell ( G4CrystalUnitCell *  aUC )

inline

Definition at line 87 of file G4CrystalExtension.hh.

{theUnitCell=aUC;}

References theUnitCell.

Field Documentation

fElasticity

Elasticity G4CrystalExtension::fElasticity

protected

Definition at line 100 of file G4CrystalExtension.hh.

Referenced by GetCijkl(), and GetElasticity().

fElReduced

ReducedElasticity G4CrystalExtension::fElReduced

protected

Definition at line 101 of file G4CrystalExtension.hh.

Referenced by GetCpq(), GetElReduced(), SetCpq(), and SetElReduced().

fHash

const std::size_t G4VMaterialExtension::fHash

protectedinherited

Definition at line 79 of file G4VMaterialExtension.hh.

Referenced by G4VMaterialExtension::GetHash().

fMaterial

G4Material* G4CrystalExtension::fMaterial

private

Definition at line 72 of file G4CrystalExtension.hh.

Referenced by AddAtomBase(), ComputeStructureFactor(), ComputeStructureFactorGeometrical(), GetAtomBase(), GetAtomPos(), GetMaterial(), and SetMaterial().

fName

const G4String& G4VMaterialExtension::fName

protectedinherited

Definition at line 76 of file G4VMaterialExtension.hh.

Referenced by G4VMaterialExtension::GetName().

theAtomicBondVector

std::vector<G4AtomicBond*> G4CrystalExtension::theAtomicBondVector

private

Definition at line 172 of file G4CrystalExtension.hh.

Referenced by AddAtomicBond(), GetAtomicBond(), and GetAtomicBondVector().

theCrystalAtomBaseMap

std::map<const G4Element*,G4CrystalAtomBase*> G4CrystalExtension::theCrystalAtomBaseMap

private

Definition at line 123 of file G4CrystalExtension.hh.

Referenced by AddAtomBase(), and GetAtomBase().

theUnitCell

G4CrystalUnitCell* G4CrystalExtension::theUnitCell

private

Definition at line 85 of file G4CrystalExtension.hh.

Referenced by GetAtomPos(), GetUnitCell(), and SetUnitCell().

---

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

• source/materials/include/G4CrystalExtension.hh
• source/materials/src/G4CrystalExtension.cc