GaussSphere Class Reference

Description

The form factor of a Gaussian sphere.

Definition at line 23 of file Gauss.h.

Inheritance diagram for GaussSphere:

Collaboration diagram for GaussSphere:

Public Member Functions
	GaussSphere (double mean_radius)
	GaussSphere (std::vector< double > P)
virtual double	bottomZ (const IRotation *rotation) const
virtual bool	canSliceAnalytically (const IRotation *rot) const
	Default implementation only allows rotations along z-axis. More...
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...
GaussSphere *	clone () const override
	Returns a clone of this ISampleNode object. More...
std::vector< const Material * >	containedMaterials () const
	Returns set of unique materials contained in this ISampleNode. More...
complex_t	formfactor_at_bottom (C3 q) const override
virtual SpinMatrix	formfactor_pol (C3 q) const
	Returns scattering amplitude for complex scattering wavevector q=k_i-k_f in case of matrix interactions. Default implementation calls formfactor_at_bottom(q) and multiplies with the unit matrix. More...
bool	isMagnetic () const
	Returns true if there is any magnetic material in this ISampleNode. More...
virtual const Material *	material () const
	Returns nullptr, unless overwritten to return a specific material. More...
double	meanRadius () const
virtual std::vector< const INode * >	nodeChildren () const
	Returns all children. More...
std::vector< const INode * >	nodeOffspring () const
	Returns all descendants. More...
std::vector< ParaMeta >	parDefs () const final
	Returns the parameter definitions, to be hard-coded in each leaf class. More...
virtual std::string	pythonConstructor () const
	Creates the Python constructor of this class (or derived classes) More...
double	radialExtension () const override
	Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations. More...
std::string	shapeName () const
virtual complex_t	theFF (const WavevectorInfo &wavevectors) const
virtual SpinMatrix	thePolFF (const WavevectorInfo &wavevectors) const
virtual double	topZ (const IRotation *rotation) const
virtual void	transferToCPP ()
	Used for Python overriding of clone (see swig/tweaks.py) More...
virtual double	volume () const

Protected Attributes
std::vector< double >	m_P
std::unique_ptr< IShape3D >	m_shape3D
	IShape3D object, used to retrieve vertices (which may be approximate in the case of round shapes). For soft particles, this will be a hard mean shape. More...

Private Member Functions
void	initialize ()

Private Attributes
const double &	m_mean_radius

Constructor & Destructor Documentation

GaussSphere() [1/2]

GaussSphere::GaussSphere

(

std::vector< double >

P

)

Definition at line 20 of file Gauss.cpp.

    : IFormFactor(P)
    , m_mean_radius(m_P[0])
{
    checkNodeArgs();
}

References INode::checkNodeArgs().

Referenced by clone().

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GaussSphere() [2/2]

GaussSphere::GaussSphere

(

double

mean_radius

)

Definition at line 27 of file Gauss.cpp.

    : GaussSphere(std::vector<double>{mean_radius})
{
}

Member Function Documentation

bottomZ()

double IFormFactor::bottomZ ( const IRotation *  rotation ) const

virtualinherited

Reimplemented in Sphere, IFormFactorPrism, and IFormFactorPolyhedron.

Definition at line 50 of file IFormFactor.cpp.

{
    if (!m_shape3D)
        throw std::runtime_error("Bug: Form factor has no m_shape3D, cannot compute bottom z");
    return PolyhedralUtil::BottomZ(m_shape3D->vertices(), rotation);
}

References PolyhedralUtil::BottomZ(), and IFormFactor::m_shape3D.

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canSliceAnalytically()

bool IFormFactor::canSliceAnalytically ( const IRotation *  rot ) const

virtualinherited

Default implementation only allows rotations along z-axis.

Reimplemented in Sphere.

Definition at line 64 of file IFormFactor.cpp.

{
    return !rotation || rotation->zInvariant();
}

References IRotation::zInvariant().

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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(), 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 GaussSphere::className ( ) const

inlinefinalvirtual

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

Implements INode.

Definition at line 29 of file Gauss.h.

{ return "GaussSphere"; }

clone()

GaussSphere* GaussSphere::clone ( ) const

inlineoverridevirtual

Returns a clone of this ISampleNode object.

Implements IFormFactor.

Definition at line 28 of file Gauss.h.

{ return new GaussSphere(m_mean_radius); }

References GaussSphere(), and m_mean_radius.

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containedMaterials()

std::vector< const Material * > ISampleNode::containedMaterials ( ) const

inherited

Returns set of unique materials contained in this ISampleNode.

Definition at line 25 of file ISampleNode.cpp.

{
    std::vector<const Material*> result;
    if (const Material* p_material = material())
        result.push_back(p_material);
    for (const auto* child : nodeChildren()) {
        if (const auto* sample = dynamic_cast<const ISampleNode*>(child)) {
            for (const Material* p_material : sample->containedMaterials())
                result.push_back(p_material);
        }
    }
    return result;
}

References ISampleNode::material(), and INode::nodeChildren().

Referenced by SampleUtils::Multilayer::ContainsCompatibleMaterials(), SampleToPython::initLabels(), and ISampleNode::isMagnetic().

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formfactor_at_bottom()

complex_t GaussSphere::formfactor_at_bottom ( C3  q ) const

overridevirtual

Implements IFormFactor.

Definition at line 32 of file Gauss.cpp.

{
    const double max_ql = std::sqrt(-4 * M_PI * std::log(std::numeric_limits<double>::min()) / 3);
 
    double qzh = q.z().real() * m_mean_radius;
    if (std::abs(qzh) > max_ql)
        return 0.0;
    double qxr = q.x().real() * m_mean_radius;
    if (std::abs(qxr) > max_ql)
        return 0.0;
    double qyr = q.y().real() * m_mean_radius;
    if (std::abs(qyr) > max_ql)
        return 0.0;
 
    return pow(m_mean_radius, 3) * std::exp(-(qxr * qxr + qyr * qyr + qzh * qzh) / 4.0 / M_PI);
}

References m_mean_radius, and M_PI.

formfactor_pol()

SpinMatrix IFormFactor::formfactor_pol ( C3  q ) const

virtualinherited

Returns scattering amplitude for complex scattering wavevector q=k_i-k_f in case of matrix interactions. Default implementation calls formfactor_at_bottom(q) and multiplies with the unit matrix.

Definition at line 78 of file IFormFactor.cpp.

{
    return formfactor_at_bottom(q) * SpinMatrix::One();
}

References IFormFactor::formfactor_at_bottom(), and SpinMatrix::One().

Referenced by IFormFactor::thePolFF().

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initialize()

void GaussSphere::initialize ( )

private

isMagnetic()

bool ISampleNode::isMagnetic ( ) const

inherited

Returns true if there is any magnetic material in this ISampleNode.

Definition at line 39 of file ISampleNode.cpp.

{
    const auto materials = containedMaterials();
    return std::any_of(materials.cbegin(), materials.cend(),
                       [](const Material* mat) { return mat->isMagneticMaterial(); });
}

References ISampleNode::containedMaterials().

Referenced by reSample::make().

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material()

virtual const Material* ISampleNode::material ( ) const

inlinevirtualinherited

Returns nullptr, unless overwritten to return a specific material.

Reimplemented in Particle, and Layer.

Definition at line 36 of file ISampleNode.h.

{ return nullptr; }

Referenced by ISampleNode::containedMaterials().

meanRadius()

double GaussSphere::meanRadius ( ) const

inline

Definition at line 36 of file Gauss.h.

{ return m_mean_radius; }

References m_mean_radius.

nodeChildren()

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

virtualinherited

Returns all children.

Reimplemented in ISimulation2D, ISimulation, ParticleCoreShell, ParticleComposition, Particle, MesoCrystal, IParticle, Crystal, MultiLayer, Layer, LayerInterface, ParticleLayout, InterferenceRadialParaCrystal, InterferenceFinite3DLattice, InterferenceFinite2DLattice, Interference3DLattice, Interference2DSuperLattice, Interference2DParaCrystal, Interference2DLattice, Interference1DLattice, ConvolutionDetectorResolution, IDetector, and Beam.

Definition at line 56 of file INode.cpp.

{
    return {};
}

Referenced by NodeUtils::AllDescendantsOfType(), NodeUtils::ChildNodesOfType(), ISampleNode::containedMaterials(), and INode::nodeOffspring().

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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parDefs()

std::vector<ParaMeta> GaussSphere::parDefs ( ) const

inlinefinalvirtual

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

Reimplemented from INode.

Definition at line 31 of file Gauss.h.

    {
        return {{"MeanRadius", "nm", "para_tooltip", 0, +INF, 0}};
    }

References INF.

pythonConstructor()

std::string IFormFactor::pythonConstructor ( ) const

virtualinherited

Creates the Python constructor of this class (or derived classes)

Definition at line 69 of file IFormFactor.cpp.

{
    std::vector<std::pair<double, std::string>> arguments;
    for (size_t i = 0; i < parDefs().size(); i++)
        arguments.emplace_back(m_P[i], parDefs()[i].unit);
 
    return Py::Fmt::printFunction(className(), arguments);
}

References INode::className(), INode::m_P, INode::parDefs(), and Py::Fmt::printFunction().

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radialExtension()

double GaussSphere::radialExtension ( ) const

inlineoverridevirtual

Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations.

Implements IFormFactor.

Definition at line 38 of file Gauss.h.

{ return m_mean_radius; }

References m_mean_radius.

shapeName()

std::string IFormFactor::shapeName ( ) const

inherited

Definition at line 33 of file IFormFactor.cpp.

{
    if (className().substr(0, 10) == "FormFactor")
        return className().substr(10);
    return className();
}

References INode::className().

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theFF()

complex_t IFormFactor::theFF ( const WavevectorInfo &  wavevectors ) const

virtualinherited

Definition at line 40 of file IFormFactor.cpp.

{
    return formfactor_at_bottom(wavevectors.getQ());
}

References IFormFactor::formfactor_at_bottom(), and WavevectorInfo::getQ().

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thePolFF()

SpinMatrix IFormFactor::thePolFF ( const WavevectorInfo &  wavevectors ) const

virtualinherited

Definition at line 45 of file IFormFactor.cpp.

{
    return formfactor_pol(wavevectors.getQ());
}

References IFormFactor::formfactor_pol(), and WavevectorInfo::getQ().

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topZ()

double IFormFactor::topZ ( const IRotation *  rotation ) const

virtualinherited

Reimplemented in Sphere, IFormFactorPrism, and IFormFactorPolyhedron.

Definition at line 57 of file IFormFactor.cpp.

{
    if (!m_shape3D)
        throw std::runtime_error("Bug: Form factor has no m_shape3D, cannot compute top z");
    return PolyhedralUtil::TopZ(m_shape3D->vertices(), rotation);
}

References IFormFactor::m_shape3D, and PolyhedralUtil::TopZ().

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transferToCPP()

virtual void ICloneable::transferToCPP ( )

inlinevirtualinherited

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

Definition at line 32 of file ICloneable.h.

volume()

double IFormFactor::volume ( ) const

virtualinherited

Reimplemented in IFormFactorPrism, IFormFactorPolyhedron, and Box.

Definition at line 83 of file IFormFactor.cpp.

{
    return std::abs(formfactor_at_bottom(C3()));
}

References IFormFactor::formfactor_at_bottom().

Referenced by Compute::Slicing::createParticleInSlice().

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Member Data Documentation

m_mean_radius

const double& GaussSphere::m_mean_radius

private

Definition at line 43 of file Gauss.h.

Referenced by clone(), formfactor_at_bottom(), meanRadius(), and radialExtension().

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_shape3D

std::unique_ptr<IShape3D> IFormFactor::m_shape3D

protectedinherited

IShape3D object, used to retrieve vertices (which may be approximate in the case of round shapes). For soft particles, this will be a hard mean shape.

Definition at line 74 of file IFormFactor.h.

Referenced by Cone::Cone(), Cylinder::Cylinder(), EllipsoidalCylinder::EllipsoidalCylinder(), FuzzySphere::FuzzySphere(), HemiEllipsoid::HemiEllipsoid(), HollowSphere::HollowSphere(), HorizontalCylinder::HorizontalCylinder(), ICosineRipple::ICosineRipple(), IProfileRectangularRipple::IProfileRectangularRipple(), ISawtoothRipple::ISawtoothRipple(), LongBoxGauss::LongBoxGauss(), LongBoxLorentz::LongBoxLorentz(), Spheroid::Spheroid(), TruncatedSphere::TruncatedSphere(), TruncatedSpheroid::TruncatedSpheroid(), IFormFactor::bottomZ(), and IFormFactor::topZ().

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

• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/SoftParticle/Gauss.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/SoftParticle/Gauss.cpp