InterferenceFinite3DLattice Class Reference

Description

Interference function of a finite 3D lattice.

Definition at line 24 of file InterferenceFinite3DLattice.h.

Inheritance diagram for InterferenceFinite3DLattice:

Collaboration diagram for InterferenceFinite3DLattice:

Public Member Functions
	InterferenceFinite3DLattice (const Lattice3D &lattice, unsigned N_1, unsigned N_2, unsigned N_3)
	~InterferenceFinite3DLattice () 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...
InterferenceFinite3DLattice *	clone () const override
double	DWfactor (R3 q) const
	structureFactors the Debye-Waller factor for a given wavevector transfer More...
const Lattice3D &	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
unsigned	numberUnitCells3 () const
virtual std::vector< ParaMeta >	parDefs () const
	Returns the parameter definitions, to be hard-coded in each leaf class. More...
virtual double	particleDensity () const
	If defined by this interference function's parameters, returns the particle density (per area). Otherwise, returns zero or a user-defined value. More...
double	positionVariance () const
	Returns the position variance. More...
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...
bool	supportsMultilayer () const override
	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...
void	setLattice (const Lattice3D &lattice)

Private Attributes
std::unique_ptr< Lattice3D >	m_lattice
unsigned	m_N_1
unsigned	m_N_2
unsigned	m_N_3
	Size of the finite lattice in lattice units. More...

Constructor & Destructor Documentation

InterferenceFinite3DLattice()

InterferenceFinite3DLattice::InterferenceFinite3DLattice	(	const Lattice3D &	lattice,
		unsigned	N_1,
		unsigned	N_2,
		unsigned	N_3
	)

Definition at line 21 of file InterferenceFinite3DLattice.cpp.

    : IInterference(0)
    , m_N_1(N_1)
    , m_N_2(N_2)
    , m_N_3(N_3)
{
    setLattice(lattice);
}

References lattice(), and setLattice().

Referenced by clone().

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~InterferenceFinite3DLattice()

InterferenceFinite3DLattice::~InterferenceFinite3DLattice ( )

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 InterferenceFinite3DLattice::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 InterferenceFinite3DLattice.h.

{ return "InterferenceFinite3DLattice"; }

clone()

InterferenceFinite3DLattice * InterferenceFinite3DLattice::clone ( ) const

overridevirtual

Implements IInterference.

Definition at line 33 of file InterferenceFinite3DLattice.cpp.

{
    auto* result = new InterferenceFinite3DLattice(*m_lattice, m_N_1, m_N_2, m_N_3);
    result->setPositionVariance(m_position_var);
    return result;
}

References InterferenceFinite3DLattice(), m_lattice, m_N_1, m_N_2, m_N_3, 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 InterferenceFinite3DLattice::iff_without_dw ( R3  q ) const

overrideprivatevirtual

Calculates the structure factor without Debye-Waller factor.

Implements IInterference.

Definition at line 53 of file InterferenceFinite3DLattice.cpp.

{
    using Math::Laue;
    const double qadiv2 = q.dot(m_lattice->basisVectorA()) / 2.0;
    const double qbdiv2 = q.dot(m_lattice->basisVectorB()) / 2.0;
    const double qcdiv2 = q.dot(m_lattice->basisVectorC()) / 2.0;
    const double ampl = Laue(qadiv2, m_N_1) * Laue(qbdiv2, m_N_2) * Laue(qcdiv2, m_N_3);
    return ampl * ampl / (m_N_1 * m_N_2 * m_N_3);
}

References Math::Laue(), m_lattice, m_N_1, m_N_2, and m_N_3.

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lattice()

const Lattice3D & InterferenceFinite3DLattice::lattice

(

)

const

Definition at line 40 of file InterferenceFinite3DLattice.cpp.

{
    if (!m_lattice)
        throw std::runtime_error("InterferenceFinite3DLattice::lattice() -> Error. "
                                 "No lattice defined.");
    return *m_lattice;
}

References m_lattice.

Referenced by InterferenceFinite3DLattice(), and setLattice().

nodeChildren()

std::vector< const INode * > InterferenceFinite3DLattice::nodeChildren ( ) const

overridevirtual

Returns all children.

Reimplemented from INode.

Definition at line 48 of file InterferenceFinite3DLattice.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 InterferenceFinite3DLattice::numberUnitCells1 ( ) const

inline

Definition at line 32 of file InterferenceFinite3DLattice.h.

{ return m_N_1; }

References m_N_1.

numberUnitCells2()

unsigned InterferenceFinite3DLattice::numberUnitCells2 ( ) const

inline

Definition at line 33 of file InterferenceFinite3DLattice.h.

{ return m_N_2; }

References m_N_2.

numberUnitCells3()

unsigned InterferenceFinite3DLattice::numberUnitCells3 ( ) const

inline

Definition at line 34 of file InterferenceFinite3DLattice.h.

{ return m_N_3; }

References m_N_3.

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.

{ return {}; }

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

particleDensity()

virtual double IInterference::particleDensity ( ) const

inlinevirtualinherited

If defined by this interference function's parameters, returns the particle density (per area). Otherwise, returns zero or a user-defined value.

Reimplemented in InterferenceHardDisk, InterferenceFinite2DLattice, Interference2DParaCrystal, and Interference2DLattice.

Definition at line 44 of file IInterference.h.

{ return 0.0; }

positionVariance()

double IInterference::positionVariance ( ) const

inlineinherited

Returns the position variance.

Definition at line 40 of file IInterference.h.

{ return m_position_var; }

References IInterference::m_position_var.

setLattice()

void InterferenceFinite3DLattice::setLattice ( const Lattice3D &  lattice )

private

Definition at line 63 of file InterferenceFinite3DLattice.cpp.

{
    m_lattice = std::make_unique<Lattice3D>(lattice);
}

References lattice(), and m_lattice.

Referenced by InterferenceFinite3DLattice().

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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()

bool InterferenceFinite3DLattice::supportsMultilayer ( ) const

inlineoverridevirtual

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

Reimplemented from IInterference.

Definition at line 38 of file InterferenceFinite3DLattice.h.

{ return false; }

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_lattice

std::unique_ptr<Lattice3D> InterferenceFinite3DLattice::m_lattice

private

Definition at line 46 of file InterferenceFinite3DLattice.h.

Referenced by clone(), iff_without_dw(), lattice(), nodeChildren(), and setLattice().

m_N_1

unsigned InterferenceFinite3DLattice::m_N_1

private

Definition at line 47 of file InterferenceFinite3DLattice.h.

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

m_N_2

unsigned InterferenceFinite3DLattice::m_N_2

private

Definition at line 47 of file InterferenceFinite3DLattice.h.

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

m_N_3

unsigned InterferenceFinite3DLattice::m_N_3

private

Size of the finite lattice in lattice units.

Definition at line 47 of file InterferenceFinite3DLattice.h.

Referenced by clone(), iff_without_dw(), and numberUnitCells3().

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(), InterferenceFinite2DLattice::clone(), clone(), InterferenceHardDisk::clone(), InterferenceNone::clone(), InterferenceRadialParaCrystal::clone(), InterferenceTwin::clone(), IInterference::DWfactor(), IInterference::positionVariance(), and IInterference::setPositionVariance().

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

• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Aggregate/InterferenceFinite3DLattice.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Aggregate/InterferenceFinite3DLattice.cpp