Description

Interference function of a finite 2D lattice.

Definition at line 24 of file InterferenceFinite2DLattice.h.

Inheritance diagram for InterferenceFinite2DLattice:

Collaboration diagram for InterferenceFinite2DLattice:

Public Member Functions
	InterferenceFinite2DLattice (const Lattice2D &lattice, unsigned N_1, unsigned N_2)
	Constructor of two-dimensional finite lattice interference function. More...

	~InterferenceFinite2DLattice () override

void	checkNodeArgs () const
	Raises exception if a parameter value is invalid. More...

std::string	className () const final
	Returns the class name, to be hard-coded in each leaf class that inherits from INode. More...

InterferenceFinite2DLattice *	clone () const override

double	DWfactor (R3 q) const
	structureFactors the Debye-Waller factor for a given wavevector transfer More...

bool	integrationOverXi () const

const Lattice2D &	lattice () const

std::vector< const INode * >	nodeChildren () const override
	Returns all children. More...

std::vector< const INode * >	nodeOffspring () const
	Returns all descendants. More...

unsigned	numberUnitCells1 () const

unsigned	numberUnitCells2 () const

virtual std::vector< ParaMeta >	parDefs () const
	Returns the parameter definitions, to be hard-coded in each leaf class. More...

double	particleDensity () const override
	Returns the particle density associated with this 2d lattice. More...

double	positionVariance () const
	Returns the position variance. More...

void	setIntegrationOverXi (bool integrate_xi)

void	setPositionVariance (double var)
	Sets the variance of the position for the calculation of the DW factor It is defined as the variance in each relevant dimension. More...

virtual double	structureFactor (R3 q, double outer_iff=1.0) const
	The interference function for a given wavevector transfer. More...

virtual bool	supportsMultilayer () const
	Indicates if this interference function can be used with a sample (DWBA mode) More...

virtual void	transferToCPP ()
	Used for Python overriding of clone (see swig/tweaks.py) More...

Protected Member Functions
double	iff_no_inner (R3 q, double outer_iff) const
	Calculates the structure factor in the absence of extra inner structure. More...

Protected Attributes
std::vector< double >	m_P

double	m_position_var

Private Member Functions
double	iff_without_dw (R3 q) const override
	Calculates the structure factor without Debye-Waller factor. More...

double	interferenceForXi (double xi, double qx, double qy) const

Private Attributes
bool	m_integrate_xi
	Integrate over the orientation xi. More...

std::unique_ptr< Lattice2D >	m_lattice

unsigned	m_N_1

unsigned	m_N_2
	Size of the finite lattice in lattice units. More...

Constructor & Destructor Documentation

◆ InterferenceFinite2DLattice()

InterferenceFinite2DLattice::InterferenceFinite2DLattice	(	const Lattice2D &	lattice,
		unsigned	N_1,
		unsigned	N_2
	)

Constructor of two-dimensional finite lattice interference function.

Parameters

lattice	object specifying a 2d lattice structure
N_1	number of lattice cells in the first lattice direction
N_2	number of lattice cells in the second lattice direction

Definition at line 28 of file InterferenceFinite2DLattice.cpp.

     : IInterference(0)
     , m_integrate_xi(false)
     , m_N_1(N_1)
     , m_N_2(N_2)
 {
     m_lattice.reset(lattice.clone());
 }

References Lattice2D::clone(), lattice(), and m_lattice.

Referenced by clone().

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◆ ~InterferenceFinite2DLattice()

InterferenceFinite2DLattice::~InterferenceFinite2DLattice ( )

overridedefault

Member Function Documentation

◆ checkNodeArgs()

void INode::checkNodeArgs ( ) const

inherited

Raises exception if a parameter value is invalid.

Definition at line 27 of file INode.cpp.

 {
     size_t nP = m_P.size();
     if (parDefs().size() != nP) {
         std::cerr << "BUG in class " << className() << std::endl;
         std::cerr << "#m_P = " << nP << std::endl;
         std::cerr << "#PDf = " << parDefs().size() << std::endl;
         for (const ParaMeta& pm : parDefs())
             std::cerr << "  PDf: " << pm.name << std::endl;
         ASSERT(0);
     }
     ASSERT(parDefs().size() == nP);
     for (size_t i = 0; i < nP; ++i) {
         const ParaMeta pm = parDefs()[i];
  
         RealLimits limits = RealLimits::limitless();
         if (pm.vMin == -INF) {
             ASSERT(pm.vMax == +INF);
             // nothing to do
         } else if (pm.vMax == +INF) {
             ASSERT(pm.vMin == 0);
             limits = RealLimits::nonnegative();
         } else {
             limits = RealLimits::limited(pm.vMin, pm.vMax);
         }
         limits.check(pm.name, m_P[i]);
     }
 }

References ASSERT, RealLimits::check(), INode::className(), INF, RealLimits::limited(), RealLimits::limitless(), INode::m_P, ParaMeta::name, RealLimits::nonnegative(), INode::parDefs(), ParaMeta::vMax, and ParaMeta::vMin.

Referenced by BarGauss::BarGauss(), BarLorentz::BarLorentz(), Bipyramid4::Bipyramid4(), Box::Box(), CantellatedCube::CantellatedCube(), Cone::Cone(), ConstantBackground::ConstantBackground(), CosineRippleBox::CosineRippleBox(), CosineRippleGauss::CosineRippleGauss(), CosineRippleLorentz::CosineRippleLorentz(), Cylinder::Cylinder(), DistributionCosine::DistributionCosine(), DistributionGate::DistributionGate(), DistributionGaussian::DistributionGaussian(), DistributionLogNormal::DistributionLogNormal(), DistributionLorentz::DistributionLorentz(), DistributionTrapezoid::DistributionTrapezoid(), Dodecahedron::Dodecahedron(), EllipsoidalCylinder::EllipsoidalCylinder(), FootprintGauss::FootprintGauss(), FootprintSquare::FootprintSquare(), FuzzySphere::FuzzySphere(), GaussSphere::GaussSphere(), HemiEllipsoid::HemiEllipsoid(), HollowSphere::HollowSphere(), HorizontalCylinder::HorizontalCylinder(), Icosahedron::Icosahedron(), LongBoxGauss::LongBoxGauss(), LongBoxLorentz::LongBoxLorentz(), PlatonicOctahedron::PlatonicOctahedron(), PlatonicTetrahedron::PlatonicTetrahedron(), Prism3::Prism3(), Prism6::Prism6(), Profile1DCauchy::Profile1DCauchy(), Profile1DCosine::Profile1DCosine(), Profile1DGate::Profile1DGate(), Profile1DGauss::Profile1DGauss(), Profile1DTriangle::Profile1DTriangle(), Profile1DVoigt::Profile1DVoigt(), Profile2DCauchy::Profile2DCauchy(), Profile2DCone::Profile2DCone(), Profile2DGate::Profile2DGate(), Profile2DGauss::Profile2DGauss(), Profile2DVoigt::Profile2DVoigt(), Pyramid2::Pyramid2(), Pyramid3::Pyramid3(), Pyramid4::Pyramid4(), Pyramid6::Pyramid6(), RotationEuler::RotationEuler(), RotationX::RotationX(), RotationY::RotationY(), RotationZ::RotationZ(), SawtoothRippleBox::SawtoothRippleBox(), SawtoothRippleGauss::SawtoothRippleGauss(), SawtoothRippleLorentz::SawtoothRippleLorentz(), Sphere::Sphere(), Spheroid::Spheroid(), TruncatedCube::TruncatedCube(), TruncatedSphere::TruncatedSphere(), and TruncatedSpheroid::TruncatedSpheroid().

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◆ className()

std::string InterferenceFinite2DLattice::className ( ) const

inlinefinalvirtual

Returns the class name, to be hard-coded in each leaf class that inherits from INode.

Implements INode.

Definition at line 30 of file InterferenceFinite2DLattice.h.

30 { return "InterferenceFinite2DLattice"; }

◆ clone()

InterferenceFinite2DLattice * InterferenceFinite2DLattice::clone ( ) const

overridevirtual

Implements IInterference.

Definition at line 40 of file InterferenceFinite2DLattice.cpp.

 {
     auto* result = new InterferenceFinite2DLattice(*m_lattice, m_N_1, m_N_2);
     result->setPositionVariance(m_position_var);
     result->setIntegrationOverXi(integrationOverXi());
     return result;
 }

References InterferenceFinite2DLattice(), integrationOverXi(), m_lattice, m_N_1, m_N_2, and IInterference::m_position_var.

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◆ DWfactor()

double IInterference::DWfactor ( R3 q ) const

inherited

structureFactors the Debye-Waller factor for a given wavevector transfer

Definition at line 48 of file IInterference.cpp.

 {
     // remove z component for two-dimensional interference functions:
     if (supportsMultilayer())
         q.setZ(0.0);
     return std::exp(-q.mag2() * m_position_var);
 }

References IInterference::m_position_var, and IInterference::supportsMultilayer().

Referenced by IInterference::iff_no_inner(), and Interference2DSuperLattice::interferenceForXi().

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◆ iff_no_inner()

double IInterference::iff_no_inner	(	R3	q,
		double	outer_iff
	)		const

protectedinherited

Calculates the structure factor in the absence of extra inner structure.

Definition at line 56 of file IInterference.cpp.

 {
     return DWfactor(q) * (iff_without_dw(q) * outer_iff - 1.0) + 1.0;
 }

References IInterference::DWfactor(), and IInterference::iff_without_dw().

Referenced by IInterference::structureFactor().

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◆ iff_without_dw()

double InterferenceFinite2DLattice::iff_without_dw ( R3 q ) const

overrideprivatevirtual

Calculates the structure factor without Debye-Waller factor.

Implements IInterference.

Definition at line 73 of file InterferenceFinite2DLattice.cpp.

 {
     if (!m_integrate_xi)
         return interferenceForXi(m_lattice->rotationAngle(), q.x(), q.y());
     return RealIntegrator().integrate(
                [&](double xi) -> double { return interferenceForXi(xi, q.x(), q.y()); }, 0.0,
                M_TWOPI)
            / M_TWOPI;
 }

References RealIntegrator::integrate(), interferenceForXi(), m_integrate_xi, m_lattice, and M_TWOPI.

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◆ integrationOverXi()

bool InterferenceFinite2DLattice::integrationOverXi ( ) const

inline

Definition at line 36 of file InterferenceFinite2DLattice.h.

36 { return m_integrate_xi; }

References m_integrate_xi.

Referenced by clone().

◆ interferenceForXi()

double InterferenceFinite2DLattice::interferenceForXi	(	double	xi,
		double	qx,
		double	qy
	)		const

private

Definition at line 83 of file InterferenceFinite2DLattice.cpp.

 {
     double a = m_lattice->length1();
     double b = m_lattice->length2();
     double xialpha = xi + m_lattice->latticeAngle();
  
     double qadiv2 = (qx * a * std::cos(xi) + qy * a * std::sin(xi)) / 2.0;
     double qbdiv2 = (qx * b * std::cos(xialpha) + qy * b * std::sin(xialpha)) / 2.0;
     double ampl = Laue(qadiv2, m_N_1) * Laue(qbdiv2, m_N_2);
     double lattice_factor = ampl * ampl / (m_N_1 * m_N_2);
  
     return lattice_factor;
 }

References Math::Laue(), m_lattice, m_N_1, and m_N_2.

Referenced by iff_without_dw().

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◆ lattice()

const Lattice2D & InterferenceFinite2DLattice::lattice ( ) const

Definition at line 54 of file InterferenceFinite2DLattice.cpp.

 {
     if (!m_lattice)
         throw std::runtime_error("InterferenceFinite2DLattice::lattice() -> Error. "
                                  "No lattice defined.");
     return *m_lattice;
 }

References m_lattice.

Referenced by InterferenceFinite2DLattice().

◆ nodeChildren()

std::vector< const INode * > InterferenceFinite2DLattice::nodeChildren ( ) const

overridevirtual

Returns all children.

Reimplemented from INode.

Definition at line 68 of file InterferenceFinite2DLattice.cpp.

 {
     return std::vector<const INode*>() << m_lattice;
 }

References m_lattice.

◆ nodeOffspring()

std::vector< const INode * > INode::nodeOffspring ( ) const

inherited

Returns all descendants.

Definition at line 61 of file INode.cpp.

 {
     std::vector<const INode*> result;
     result.push_back(this);
     for (const auto* child : nodeChildren()) {
         for (const auto* p : child->nodeOffspring())
             result.push_back(p);
     }
     return result;
 }

References INode::nodeChildren().

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◆ numberUnitCells1()

unsigned InterferenceFinite2DLattice::numberUnitCells1 ( ) const

inline

Definition at line 32 of file InterferenceFinite2DLattice.h.

32 { return m_N_1; }

References m_N_1.

◆ numberUnitCells2()

unsigned InterferenceFinite2DLattice::numberUnitCells2 ( ) const

inline

Definition at line 33 of file InterferenceFinite2DLattice.h.

33 { return m_N_2; }

References m_N_2.

◆ parDefs()

virtual std::vector<ParaMeta> INode::parDefs ( ) const

inlinevirtualinherited

Returns the parameter definitions, to be hard-coded in each leaf class.

Reimplemented in ConstantBackground, GaussSphere, FuzzySphere, RotationEuler, RotationZ, RotationY, RotationX, Crystal, Layer, HexagonalLattice2D, SquareLattice2D, BasicLattice2D, LayerRoughness, TruncatedSpheroid, TruncatedSphere, TruncatedCube, Spheroid, Sphere, SawtoothRippleLorentz, SawtoothRippleGauss, SawtoothRippleBox, Pyramid6, Pyramid4, Pyramid3, Pyramid2, Prism6, Prism3, PlatonicTetrahedron, PlatonicOctahedron, LongBoxLorentz, LongBoxGauss, Icosahedron, HorizontalCylinder, HollowSphere, HemiEllipsoid, EllipsoidalCylinder, Dodecahedron, Cylinder, CosineRippleLorentz, CosineRippleGauss, CosineRippleBox, Cone, CantellatedCube, Box, Bipyramid4, BarLorentz, BarGauss, Profile2DVoigt, Profile2DCone, Profile2DGate, Profile2DGauss, Profile2DCauchy, Profile1DVoigt, Profile1DCosine, Profile1DTriangle, Profile1DGate, Profile1DGauss, Profile1DCauchy, MisesGaussPeakShape, MisesFisherGaussPeakShape, LorentzFisherPeakShape, GaussFisherPeakShape, IsotropicLorentzPeakShape, IsotropicGaussPeakShape, ParticleLayout, InterferenceTwin, InterferenceRadialParaCrystal, InterferenceHardDisk, Interference2DSuperLattice, Interference2DParaCrystal, Interference1DLattice, DistributionTrapezoid, DistributionCosine, DistributionLogNormal, DistributionGaussian, DistributionLorentz, DistributionGate, ResolutionFunction2DGaussian, PolFilter, FootprintSquare, and FootprintGauss.

Definition at line 51 of file INode.h.

51 { return {}; }

Referenced by INode::checkNodeArgs(), and IFormFactor::pythonConstructor().

◆ particleDensity()

double InterferenceFinite2DLattice::particleDensity ( ) const

overridevirtual

Returns the particle density associated with this 2d lattice.

Reimplemented from IInterference.

Definition at line 62 of file InterferenceFinite2DLattice.cpp.

 {
     double area = m_lattice->unitCellArea();
     return area == 0.0 ? 0.0 : 1.0 / area;
 }

References m_lattice.

◆ positionVariance()

double IInterference::positionVariance ( ) const

inlineinherited

Returns the position variance.

Definition at line 40 of file IInterference.h.

40 { return m_position_var; }

References IInterference::m_position_var.

◆ setIntegrationOverXi()

void InterferenceFinite2DLattice::setIntegrationOverXi ( bool integrate_xi )

Definition at line 48 of file InterferenceFinite2DLattice.cpp.

 {
     m_integrate_xi = integrate_xi;
     m_lattice->setRotationEnabled(!m_integrate_xi); // deregister Xi in the case of integration
 }

References m_integrate_xi, and m_lattice.

◆ setPositionVariance()

void IInterference::setPositionVariance ( double var )

inherited

Sets the variance of the position for the calculation of the DW factor It is defined as the variance in each relevant dimension.

Definition at line 40 of file IInterference.cpp.

 {
     if (var < 0.0)
         throw std::runtime_error("IInterference::setPositionVariance: "
                                  "variance should be positive.");
     m_position_var = var;
 }

References IInterference::m_position_var.

Referenced by ExemplarySamples::createFiniteSquareLattice2D(), and ExemplarySamples::createSuperLattice().

◆ structureFactor()

double IInterference::structureFactor	(	R3	q,
		double	outer_iff = `1.0`
	)		const

virtualinherited

The interference function for a given wavevector transfer.

Reimplemented in Interference2DSuperLattice.

Definition at line 35 of file IInterference.cpp.

 {
     return iff_no_inner(q, outer_iff);
 }

References IInterference::iff_no_inner().

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◆ supportsMultilayer()

virtual bool IInterference::supportsMultilayer ( ) const

inlinevirtualinherited

Indicates if this interference function can be used with a sample (DWBA mode)

Reimplemented in InterferenceFinite3DLattice, and Interference3DLattice.

Definition at line 47 of file IInterference.h.

47 { return true; }

Referenced by IInterference::DWfactor().

◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )

inlinevirtualinherited

Used for Python overriding of clone (see swig/tweaks.py)

Definition at line 32 of file ICloneable.h.

Member Data Documentation

◆ m_integrate_xi

bool InterferenceFinite2DLattice::m_integrate_xi

private

Integrate over the orientation xi.

Definition at line 50 of file InterferenceFinite2DLattice.h.

Referenced by iff_without_dw(), integrationOverXi(), and setIntegrationOverXi().

◆ m_lattice

std::unique_ptr<Lattice2D> InterferenceFinite2DLattice::m_lattice

private

Definition at line 51 of file InterferenceFinite2DLattice.h.

Referenced by InterferenceFinite2DLattice(), clone(), iff_without_dw(), interferenceForXi(), lattice(), nodeChildren(), particleDensity(), and setIntegrationOverXi().

◆ m_N_1

unsigned InterferenceFinite2DLattice::m_N_1

private

Definition at line 52 of file InterferenceFinite2DLattice.h.

Referenced by clone(), interferenceForXi(), and numberUnitCells1().

◆ m_N_2

unsigned InterferenceFinite2DLattice::m_N_2

private

Size of the finite lattice in lattice units.

Definition at line 52 of file InterferenceFinite2DLattice.h.

Referenced by clone(), interferenceForXi(), and numberUnitCells2().

◆ m_P

std::vector<double> INode::m_P

protectedinherited

Definition at line 63 of file INode.h.

Referenced by IFootprintFactor::IFootprintFactor(), INode::checkNodeArgs(), IProfile1D::pythonConstructor(), IProfile2D::pythonConstructor(), IFormFactor::pythonConstructor(), Profile1DVoigt::pythonConstructor(), and Profile2DVoigt::pythonConstructor().

◆ m_position_var

double IInterference::m_position_var

protectedinherited

Definition at line 53 of file IInterference.h.

Referenced by IInterference::IInterference(), Interference1DLattice::clone(), Interference2DLattice::clone(), Interference2DParaCrystal::clone(), Interference2DSuperLattice::clone(), Interference3DLattice::clone(), clone(), InterferenceFinite3DLattice::clone(), InterferenceHardDisk::clone(), InterferenceNone::clone(), InterferenceRadialParaCrystal::clone(), InterferenceTwin::clone(), IInterference::DWfactor(), IInterference::positionVariance(), and IInterference::setPositionVariance().

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

/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Aggregate/InterferenceFinite2DLattice.h
/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Aggregate/InterferenceFinite2DLattice.cpp

Description

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ InterferenceFinite2DLattice()

◆ ~InterferenceFinite2DLattice()

Member Function Documentation

◆ checkNodeArgs()

◆ className()

◆ clone()

◆ DWfactor()

◆ iff_no_inner()

◆ iff_without_dw()

◆ integrationOverXi()

◆ interferenceForXi()

◆ lattice()

◆ nodeChildren()

◆ nodeOffspring()

◆ numberUnitCells1()

◆ numberUnitCells2()

◆ parDefs()

◆ particleDensity()

◆ positionVariance()

◆ setIntegrationOverXi()

◆ setPositionVariance()

◆ structureFactor()

◆ supportsMultilayer()

◆ transferToCPP()

Member Data Documentation

◆ m_integrate_xi

◆ m_lattice

◆ m_N_1

◆ m_N_2

◆ m_P

◆ m_position_var