G4CrystalExtension Class Reference

#include <G4CrystalExtension.hh>

Inheritance diagram for G4CrystalExtension:

Public Types
using	Elasticity = G4double[3][3][3][3]
using	ReducedElasticity = G4double[6][6]

Public Member Functions
	G4CrystalExtension (G4Material *, const G4String &name="crystal")
	~G4CrystalExtension () override=default
void	Print () const override
G4Material *	GetMaterial ()
void	SetMaterial (G4Material *aMat)
void	SetUnitCell (G4CrystalUnitCell *aUC)
G4CrystalUnitCell *	GetUnitCell () const
const Elasticity &	GetElasticity () const
const ReducedElasticity &	GetElReduced () const
G4double	GetCijkl (G4int i, G4int j, G4int k, G4int l) const
void	SetElReduced (const ReducedElasticity &mat)
void	SetCpq (G4int p, G4int q, G4double value)
G4double	GetCpq (G4int p, G4int q) const
G4CrystalAtomBase *	GetAtomBase (const G4Element *anElement)
void	AddAtomBase (const G4Element *anElement, G4CrystalAtomBase *aBase)
G4CrystalAtomBase *	GetAtomBase (G4int anElIdx)
void	AddAtomBase (G4int anElIdx, G4CrystalAtomBase *aLattice)
G4bool	GetAtomPos (const G4Element *anEl, std::vector< G4ThreeVector > &vecout)
G4bool	GetAtomPos (std::vector< G4ThreeVector > &vecout)
G4bool	GetAtomPos (G4int anElIdx, std::vector< G4ThreeVector > &vecout)
G4complex	ComputeStructureFactor (G4double kScatteringVector, G4int h, G4int k, G4int l)
G4complex	ComputeStructureFactorGeometrical (G4int h, G4int k, G4int l)
void	AddAtomicBond (G4AtomicBond *aBond)
G4AtomicBond *	GetAtomicBond (G4int idx)
std::vector< G4AtomicBond * >	GetAtomicBondVector ()
Public Member Functions inherited from G4VMaterialExtension
	G4VMaterialExtension (const G4String &name)
virtual	~G4VMaterialExtension ()=default
const std::size_t &	GetHash () const
const G4String &	GetName () const

Protected Attributes
Elasticity	fElasticity
ReducedElasticity	fElReduced
Protected Attributes inherited from G4VMaterialExtension
const G4String &	fName
const std::size_t	fHash

Detailed Description

Definition at line 51 of file G4CrystalExtension.hh.

Member Typedef Documentation

Elasticity

using G4CrystalExtension::Elasticity = G4double[3][3][3][3]

Definition at line 55 of file G4CrystalExtension.hh.

ReducedElasticity

using G4CrystalExtension::ReducedElasticity = G4double[6][6]

Definition at line 56 of file G4CrystalExtension.hh.

Constructor & Destructor Documentation

G4CrystalExtension()

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

Definition at line 32 of file G4CrystalExtension.cc.

  : G4VMaterialExtension(name), fMaterial(mat)
{}

~G4CrystalExtension()

G4CrystalExtension::~G4CrystalExtension ( )

overridedefault

Member Function Documentation

AddAtomBase() [1/2]

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

inline

Definition at line 84 of file G4CrystalExtension.hh.

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

Referenced by AddAtomBase(), and GetAtomBase().

AddAtomBase() [2/2]

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

inline

Definition at line 94 of file G4CrystalExtension.hh.

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

AddAtomicBond()

void G4CrystalExtension::AddAtomicBond ( G4AtomicBond * aBond )

inline

Definition at line 115 of file G4CrystalExtension.hh.

{ theAtomicBondVector.push_back(aBond); };

ComputeStructureFactor()

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

Definition at line 38 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 (const auto& anAtomPos : GetAtomBase(anElement)->GetPos()) {
      G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z();
      GFS += G4complex(std::cos(CLHEP::twopi * aDouble), std::sin(CLHEP::twopi * aDouble));
    }
 
    SF += G4complex(AFF * GFS.real(), AFF * GFS.imag());
  }
  return SF;
}

ComputeStructureFactorGeometrical()

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

Definition at line 63 of file G4CrystalExtension.cc.

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

GetAtomBase() [1/2]

G4CrystalAtomBase * G4CrystalExtension::GetAtomBase

(

const G4Element *

anElement

)

Definition at line 99 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];
}

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

GetAtomBase() [2/2]

G4CrystalAtomBase * G4CrystalExtension::GetAtomBase ( G4int anElIdx )

inline

Definition at line 89 of file G4CrystalExtension.hh.

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

GetAtomicBond()

G4AtomicBond * G4CrystalExtension::GetAtomicBond ( G4int idx )

inline

Definition at line 116 of file G4CrystalExtension.hh.

{ return theAtomicBondVector[idx]; };

GetAtomicBondVector()

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

inline

Definition at line 117 of file G4CrystalExtension.hh.

{ return theAtomicBondVector; };

GetAtomPos() [1/3]

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

Definition at line 112 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;
}

Referenced by GetAtomPos(), and GetAtomPos().

GetAtomPos() [2/3]

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

inline

Definition at line 104 of file G4CrystalExtension.hh.

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

GetAtomPos() [3/3]

G4bool G4CrystalExtension::GetAtomPos

(

std::vector< G4ThreeVector > &

vecout

)

Definition at line 125 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;
}

GetCijkl()

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

inline

Definition at line 75 of file G4CrystalExtension.hh.

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

GetCpq()

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

inline

Definition at line 81 of file G4CrystalExtension.hh.

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

GetElasticity()

const Elasticity & G4CrystalExtension::GetElasticity ( ) const

inline

Definition at line 72 of file G4CrystalExtension.hh.

{ return fElasticity; }

GetElReduced()

const ReducedElasticity & G4CrystalExtension::GetElReduced ( ) const

inline

Definition at line 73 of file G4CrystalExtension.hh.

{ return fElReduced; }

GetMaterial()

G4Material * G4CrystalExtension::GetMaterial ( )

inline

Definition at line 66 of file G4CrystalExtension.hh.

{ return fMaterial; };

GetUnitCell()

G4CrystalUnitCell * G4CrystalExtension::GetUnitCell ( ) const

inline

Definition at line 70 of file G4CrystalExtension.hh.

{ return theUnitCell; }

Referenced by G4LogicalCrystalVolume::GetBasis().

Print()

void G4CrystalExtension::Print ( ) const

inlineoverridevirtual

Implements G4VMaterialExtension.

Definition at line 64 of file G4CrystalExtension.hh.

{ ; };

SetCpq()

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

Definition at line 90 of file G4CrystalExtension.cc.

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

SetElReduced()

void G4CrystalExtension::SetElReduced

(

const ReducedElasticity &

mat

)

Definition at line 79 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];
    }
  }
}

SetMaterial()

void G4CrystalExtension::SetMaterial ( G4Material * aMat )

inline

Definition at line 67 of file G4CrystalExtension.hh.

{ fMaterial = aMat; };

SetUnitCell()

void G4CrystalExtension::SetUnitCell ( G4CrystalUnitCell * aUC )

inline

Definition at line 69 of file G4CrystalExtension.hh.

{ theUnitCell = aUC; }

Member Data Documentation

fElasticity

Elasticity G4CrystalExtension::fElasticity

protected

Definition at line 120 of file G4CrystalExtension.hh.

Referenced by GetCijkl(), and GetElasticity().

fElReduced

ReducedElasticity G4CrystalExtension::fElReduced

protected

Definition at line 121 of file G4CrystalExtension.hh.

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

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

• G4CrystalExtension.hh
• G4CrystalExtension.cc