TruncatedSphere Class Reference

Description

A truncated Sphere.

Definition at line 23 of file TruncatedSphere.h.

Inheritance diagram for TruncatedSphere:

Collaboration diagram for TruncatedSphere:

Public Member Functions
	TruncatedSphere (double radius, double height, double dh)
	TruncatedSphere (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...
TruncatedSphere *	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
	Complex form factor. More...
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...
double	height () const
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...
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...
double	radius () const
double	removedTop () const
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 Attributes
const double &	m_dh
const double &	m_height
const double &	m_radius

Constructor & Destructor Documentation

TruncatedSphere() [1/2]

TruncatedSphere::TruncatedSphere	(	double	radius,
		double	height,
		double	dh
	)

Definition at line 41 of file TruncatedSphere.cpp.

    : TruncatedSphere(std::vector<double>{radius, height, dh})
{
}

References height(), and radius().

Referenced by clone().

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TruncatedSphere() [2/2]

TruncatedSphere::TruncatedSphere

(

std::vector< double >

P

)

Definition at line 22 of file TruncatedSphere.cpp.

    : IFormFactor(P)
    , m_radius(m_P[0])
    , m_height(m_P[1])
    , m_dh(m_P[2])
{
    checkNodeArgs();
    if (m_height > 2. * m_radius || m_dh > m_height) {
        std::ostringstream ostr;
        ostr << "TruncatedSphere: -> Error in class initialization ";
        ostr << "with parameters 'radius':" << m_radius << " 'height':" << m_height
             << " 'delta_height':" << m_dh << "\n\n";
        ostr << "Check for height <= 2.*radius AND delta_height < height failed.";
        throw std::runtime_error(ostr.str());
    }
    m_shape3D =
        std::make_unique<TruncatedEllipsoidNet>(m_radius, m_radius, m_radius, m_height, m_dh);
}

References INode::checkNodeArgs(), m_dh, m_height, m_radius, and IFormFactor::m_shape3D.

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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::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(), and TruncatedSpheroid::TruncatedSpheroid().

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className()

std::string TruncatedSphere::className ( ) const

inlinefinalvirtual

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

Implements INode.

Definition at line 33 of file TruncatedSphere.h.

{ return "TruncatedSphere"; }

clone()

TruncatedSphere* TruncatedSphere::clone ( ) const

inlineoverridevirtual

Returns a clone of this ISampleNode object.

Implements IFormFactor.

Definition at line 29 of file TruncatedSphere.h.

    {
        return new TruncatedSphere(m_radius, m_height, m_dh);
    }

References TruncatedSphere(), m_dh, m_height, and m_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 TruncatedSphere::formfactor_at_bottom ( C3  q ) const

overridevirtual

Complex form factor.

Implements IFormFactor.

Definition at line 47 of file TruncatedSphere.cpp.

{
    if (std::abs(q.mag()) < std::numeric_limits<double>::epsilon())
        return M_PI / 3.
               * (m_height * m_height * (3. * m_radius - m_height)
                  - m_dh * m_dh * (3. * m_radius - m_dh));
 
    complex_t integral = ComplexIntegrator().integrate(
        [=](double Z) {
            double Rz = std::sqrt(m_radius * m_radius - Z * Z);
            complex_t qx = q.x();
            complex_t qy = q.y();
            complex_t q_p = std::sqrt(qx * qx + qy * qy); // NOT the modulus!
            return Rz * Rz * Math::Bessel::J1c(q_p * Rz) * exp_I(q.z() * Z);
        },
        m_radius - m_height, m_radius - m_dh);
    return M_TWOPI * integral * exp_I(q.z() * (m_height - m_radius));
}

References ComplexIntegrator::integrate(), Math::Bessel::J1c(), m_dh, m_height, M_PI, m_radius, and M_TWOPI.

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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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height()

double TruncatedSphere::height ( ) const

inline

Definition at line 42 of file TruncatedSphere.h.

{ return m_height; }

References m_height.

Referenced by TruncatedSphere().

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().

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> TruncatedSphere::parDefs ( ) const

inlinefinalvirtual

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

Reimplemented from INode.

Definition at line 35 of file TruncatedSphere.h.

    {
        return {{"Radius", "nm", "radius", 0, +INF, 0},
                {"Height", "nm", "height before removal of cap", 0, +INF, 0},
                {"DeltaHeight", "nm", "height of removed cap", 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 TruncatedSphere::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 46 of file TruncatedSphere.h.

{ return m_radius; }

References m_radius.

radius()

double TruncatedSphere::radius ( ) const

inline

Definition at line 43 of file TruncatedSphere.h.

{ return m_radius; }

References m_radius.

Referenced by TruncatedSphere().

removedTop()

double TruncatedSphere::removedTop ( ) const

inline

Definition at line 44 of file TruncatedSphere.h.

{ return m_dh; }

References m_dh.

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_dh

const double& TruncatedSphere::m_dh

private

Definition at line 53 of file TruncatedSphere.h.

Referenced by TruncatedSphere(), clone(), formfactor_at_bottom(), and removedTop().

m_height

const double& TruncatedSphere::m_height

private

Definition at line 52 of file TruncatedSphere.h.

Referenced by TruncatedSphere(), clone(), formfactor_at_bottom(), and height().

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_radius

const double& TruncatedSphere::m_radius

private

Definition at line 51 of file TruncatedSphere.h.

Referenced by TruncatedSphere(), clone(), formfactor_at_bottom(), radialExtension(), and radius().

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(), 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/HardParticle/TruncatedSphere.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/HardParticle/TruncatedSphere.cpp