Box Class Reference

Description

A rectangular prism (parallelepiped).

Definition at line 23 of file Box.h.

Inheritance diagram for Box:

Collaboration diagram for Box:

Public Member Functions
	Box (double length, double width, double height)
	Box (std::vector< double > P)
double	bottomZ (const IRotation *rotation) const override
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...
Box *	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...
double	height () const override
bool	isMagnetic () const
	Returns true if there is any magnetic material in this ISampleNode. More...
double	length () const
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...
std::string	shapeName () const
virtual complex_t	theFF (const WavevectorInfo &wavevectors) const
virtual SpinMatrix	thePolFF (const WavevectorInfo &wavevectors) const
double	topZ (const IRotation *rotation) const override
virtual void	transferToCPP ()
	Used for Python overriding of clone (see swig/tweaks.py) More...
double	volume () const override
double	width () const

Protected Member Functions
void	setPrism (bool symmetry_Ci, const std::vector< R3 > &vertices)

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_height
const double &	m_length
std::vector< R3 >	m_vertices
const double &	m_width
std::unique_ptr< ff::Prism >	pimpl

Constructor & Destructor Documentation

Box() [1/2]

Box::Box	(	double	length,
		double	width,
		double	height
	)

Definition at line 31 of file Box.cpp.

    : Box(std::vector<double>{length, width, height})
{
}

References height(), length(), and width().

Referenced by clone().

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Box() [2/2]

Box::Box

(

std::vector< double >

P

)

Definition at line 18 of file Box.cpp.

    : IFormFactorPrism(P)
    , m_length(m_P[0])
    , m_width(m_P[1])
    , m_height(m_P[2])
{
    checkNodeArgs();
    double a = m_length / 2;
    double b = m_width / 2;
    std::vector<R3> V{{a, b, 0.}, {-a, b, 0.}, {-a, -b, 0.}, {a, -b, 0}};
    setPrism(true, V);
}

References INode::checkNodeArgs(), m_length, m_width, and IFormFactorPrism::setPrism().

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Member Function Documentation

bottomZ()

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

overridevirtualinherited

Reimplemented from IFormFactor.

Definition at line 37 of file IFormFactorPrism.cpp.

{
    return PolyhedralUtil::BottomZ(m_vertices, rotation);
}

References PolyhedralUtil::BottomZ(), and IFormFactorPrism::m_vertices.

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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(), 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 Box::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 Box.h.

{ return "Box"; }

clone()

Box* Box::clone ( ) const

inlineoverridevirtual

Returns a clone of this ISampleNode object.

Implements IFormFactor.

Definition at line 29 of file Box.h.

{ return new Box(m_length, m_width, m_height); }

References Box(), m_height, m_length, and m_width.

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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 Box::formfactor_at_bottom ( C3  q ) const

overridevirtual

Implements IFormFactor.

Definition at line 36 of file Box.cpp.

{
    complex_t qzHdiv2 = m_height / 2 * q.z();
    return m_length * m_width * m_height * Math::sinc(m_length / 2 * q.x())
           * Math::sinc(m_width / 2 * q.y()) * Math::sinc(qzHdiv2) * exp_I(qzHdiv2);
}

References m_height, m_length, m_width, and Math::sinc().

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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 Box::height ( ) const

inlineoverridevirtual

Implements IFormFactorPrism.

Definition at line 41 of file Box.h.

{ return m_height; }

References m_height.

Referenced by Box().

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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length()

double Box::length ( ) const

inline

Definition at line 39 of file Box.h.

{ return m_length; }

References m_length.

Referenced by Box().

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> Box::parDefs ( ) const

inlinefinalvirtual

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

Reimplemented from INode.

Definition at line 32 of file Box.h.

    {
        return {{"Length", "nm", "side length in x direction", 0, +INF, 0},
                {"Width", "nm", "side length in y direction", 0, +INF, 0},
                {"Height", "nm", "side length in z direction", 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 Box::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 44 of file Box.h.

{ return m_length / 2.0; }

References m_length.

setPrism()

void IFormFactorPrism::setPrism ( bool  symmetry_Ci, const std::vector< R3 > &  vertices  )

protectedinherited

Definition at line 26 of file IFormFactorPrism.cpp.

{
    pimpl = std::make_unique<ff::Prism>(symmetry_Ci, height(), vertices);
 
    m_vertices.clear();
    for (const R3& vertex : vertices) {
        m_vertices.push_back(vertex);
        m_vertices.push_back(vertex + R3{0, 0, height()});
    }
}

References IFormFactorPrism::height(), IFormFactorPrism::m_vertices, and IFormFactorPrism::pimpl.

Referenced by Box(), Prism3::Prism3(), and Prism6::Prism6().

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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 IFormFactorPrism::topZ ( const IRotation *  rotation ) const

overridevirtualinherited

Reimplemented from IFormFactor.

Definition at line 42 of file IFormFactorPrism.cpp.

{
    return PolyhedralUtil::TopZ(m_vertices, rotation);
}

References IFormFactorPrism::m_vertices, 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 Box::volume ( ) const

inlineoverridevirtual

Reimplemented from IFormFactor.

Definition at line 43 of file Box.h.

{ return m_length * m_height * m_width; }

References m_height, m_length, and m_width.

width()

double Box::width ( ) const

inline

Definition at line 40 of file Box.h.

{ return m_width; }

References m_width.

Referenced by Box().

Member Data Documentation

m_height

const double& Box::m_height

private

Definition at line 50 of file Box.h.

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

m_length

const double& Box::m_length

private

Definition at line 48 of file Box.h.

Referenced by Box(), clone(), formfactor_at_bottom(), length(), radialExtension(), and volume().

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().

m_vertices

std::vector<R3> IFormFactorPrism::m_vertices

privateinherited

Definition at line 53 of file IFormFactorPrism.h.

Referenced by IFormFactorPrism::bottomZ(), IFormFactorPrism::setPrism(), and IFormFactorPrism::topZ().

m_width

const double& Box::m_width

private

Definition at line 49 of file Box.h.

Referenced by Box(), clone(), formfactor_at_bottom(), volume(), and width().

pimpl

std::unique_ptr<ff::Prism> IFormFactorPrism::pimpl

privateinherited

Definition at line 52 of file IFormFactorPrism.h.

Referenced by IFormFactorPrism::formfactor_at_bottom(), IFormFactorPrism::radialExtension(), IFormFactorPrism::setPrism(), and IFormFactorPrism::volume().

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

• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/HardParticle/Box.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/HardParticle/Box.cpp