TruncatedCube Class Reference

Description

A cube, with tetrahedral truncation of all corners.

Definition at line 23 of file TruncatedCube.h.

Inheritance diagram for TruncatedCube:

Collaboration diagram for TruncatedCube:

Public Member Functions
	TruncatedCube (double length, double removed_length)
	TruncatedCube (std::vector< double > P)
void	assert_platonic () const
	Assertions for Platonic solid. More...
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...
TruncatedCube *	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...
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...
double	removedLength () const
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

Protected Member Functions
void	setPolyhedron (const ff::PolyhedralTopology &topology, double z_bottom, const std::vector< R3 > &vertices)
	Called by child classes to set faces and other internal variables. More...

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_length
const double &	m_removed_length
std::vector< R3 >	m_vertices
double	m_z_bottom
	for topZ, bottomZ computation only More...
std::unique_ptr< ff::Polyhedron >	pimpl

Static Private Attributes
static const ff::PolyhedralTopology	topology

Constructor & Destructor Documentation

TruncatedCube() [1/2]

TruncatedCube::TruncatedCube	(	double	length,
		double	removed_length
	)

Definition at line 58 of file TruncatedCube.cpp.

    : TruncatedCube(std::vector<double>{length, removed_length})
{
}

References length().

Referenced by clone().

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TruncatedCube() [2/2]

TruncatedCube::TruncatedCube

(

std::vector< double >

P

)

Definition at line 33 of file TruncatedCube.cpp.

    : IFormFactorPolyhedron(P)
    , m_length(m_P[0])
    , m_removed_length(m_P[1])
{
    checkNodeArgs();
    if (m_removed_length > 0.5 * m_length) {
        std::ostringstream ostr;
        ostr << "::TruncatedCube() -> Error in class initialization ";
        ostr << "with parameters 'length':" << m_length;
        ostr << " 'removed_length':" << m_removed_length << "\n\n";
        ostr << "Check for removed_length <= 0.5*length failed.";
        throw std::runtime_error(ostr.str());
    }
 
    double a = m_length / 2;
    double c = a - m_removed_length;
 
    setPolyhedron(topology, -a,
                  {{-c, -a, -a}, {-a, -c, -a}, {-a, -a, -c}, {c, -a, -a}, {a, -c, -a}, {a, -a, -c},
                   {-c, a, -a},  {-a, c, -a},  {-a, a, -c},  {c, a, -a},  {a, c, -a},  {a, a, -c},
                   {-c, -a, a},  {-a, -c, a},  {-a, -a, c},  {c, -a, a},  {a, -c, a},  {a, -a, c},
                   {-c, a, a},   {-a, c, a},   {-a, a, c},   {c, a, a},   {a, c, a},   {a, a, c}});
}

References INode::checkNodeArgs(), m_length, m_removed_length, IFormFactorPolyhedron::setPolyhedron(), and topology.

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Member Function Documentation

assert_platonic()

void IFormFactorPolyhedron::assert_platonic ( ) const

inherited

Assertions for Platonic solid.

Definition at line 79 of file IFormFactorPolyhedron.cpp.

{
    pimpl->assert_platonic();
}

References IFormFactorPolyhedron::pimpl.

Referenced by Dodecahedron::Dodecahedron(), Icosahedron::Icosahedron(), PlatonicOctahedron::PlatonicOctahedron(), and PlatonicTetrahedron::PlatonicTetrahedron().

bottomZ()

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

overridevirtualinherited

Reimplemented from IFormFactor.

Definition at line 53 of file IFormFactorPolyhedron.cpp.

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

References PolyhedralUtil::BottomZ(), and IFormFactorPolyhedron::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::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(), TruncatedSphere::TruncatedSphere(), and TruncatedSpheroid::TruncatedSpheroid().

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className()

std::string TruncatedCube::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 TruncatedCube.h.

{ return "TruncatedCube"; }

clone()

TruncatedCube* TruncatedCube::clone ( ) const

inlineoverridevirtual

Returns a clone of this ISampleNode object.

Implements IFormFactor.

Definition at line 29 of file TruncatedCube.h.

{ return new TruncatedCube(m_length, m_removed_length); }

References TruncatedCube(), m_length, and m_removed_length.

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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 IFormFactorPolyhedron::formfactor_at_bottom ( C3  q ) const

overridevirtualinherited

Implements IFormFactor.

Definition at line 63 of file IFormFactorPolyhedron.cpp.

{
    return exp_I(-m_z_bottom * q.z()) * pimpl->formfactor(q);
}

References IFormFactorPolyhedron::m_z_bottom, and IFormFactorPolyhedron::pimpl.

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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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 TruncatedCube::length ( ) const

inline

Definition at line 38 of file TruncatedCube.h.

{ return m_length; }

References m_length.

Referenced by TruncatedCube().

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> TruncatedCube::parDefs ( ) const

inlinefinalvirtual

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

Reimplemented from INode.

Definition at line 32 of file TruncatedCube.h.

    {
        return {{"Length", "nm", "untruncated edge length", 0, +INF, 0},
                {"RemovedLength", "nm", "edge length removed from one corner", 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 IFormFactorPolyhedron::radialExtension ( ) const

overridevirtualinherited

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 72 of file IFormFactorPolyhedron.cpp.

{
    return pimpl->radius();
}

References IFormFactorPolyhedron::pimpl.

removedLength()

double TruncatedCube::removedLength ( ) const

inline

Definition at line 39 of file TruncatedCube.h.

{ return m_removed_length; }

References m_removed_length.

setPolyhedron()

void IFormFactorPolyhedron::setPolyhedron ( const ff::PolyhedralTopology &  topology, double  z_bottom, const std::vector< R3 > &  vertices  )

protectedinherited

Called by child classes to set faces and other internal variables.

Definition at line 41 of file IFormFactorPolyhedron.cpp.

{
    m_z_bottom = z_bottom;
 
    m_vertices.clear();
    for (const R3& vertex : vertices)
        m_vertices.push_back(vertex - R3{0, 0, z_bottom});
 
    pimpl = std::make_unique<ff::Polyhedron>(topology, vertices);
}

References IFormFactorPolyhedron::m_vertices, IFormFactorPolyhedron::m_z_bottom, and IFormFactorPolyhedron::pimpl.

Referenced by Bipyramid4::Bipyramid4(), CantellatedCube::CantellatedCube(), Dodecahedron::Dodecahedron(), Icosahedron::Icosahedron(), PlatonicOctahedron::PlatonicOctahedron(), PlatonicTetrahedron::PlatonicTetrahedron(), Pyramid2::Pyramid2(), Pyramid3::Pyramid3(), Pyramid4::Pyramid4(), Pyramid6::Pyramid6(), and TruncatedCube().

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 IFormFactorPolyhedron::topZ ( const IRotation *  rotation ) const

overridevirtualinherited

Reimplemented from IFormFactor.

Definition at line 58 of file IFormFactorPolyhedron.cpp.

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

References IFormFactorPolyhedron::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 IFormFactorPolyhedron::volume ( ) const

overridevirtualinherited

Reimplemented from IFormFactor.

Definition at line 68 of file IFormFactorPolyhedron.cpp.

{
    return pimpl->volume();
}

References IFormFactorPolyhedron::pimpl.

Member Data Documentation

m_length

const double& TruncatedCube::m_length

private

Definition at line 43 of file TruncatedCube.h.

Referenced by TruncatedCube(), clone(), and length().

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_removed_length

const double& TruncatedCube::m_removed_length

private

Definition at line 44 of file TruncatedCube.h.

Referenced by TruncatedCube(), clone(), and removedLength().

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> IFormFactorPolyhedron::m_vertices

privateinherited

Definition at line 54 of file IFormFactorPolyhedron.h.

Referenced by IFormFactorPolyhedron::bottomZ(), IFormFactorPolyhedron::setPolyhedron(), and IFormFactorPolyhedron::topZ().

m_z_bottom

double IFormFactorPolyhedron::m_z_bottom

privateinherited

for topZ, bottomZ computation only

Definition at line 55 of file IFormFactorPolyhedron.h.

Referenced by IFormFactorPolyhedron::formfactor_at_bottom(), and IFormFactorPolyhedron::setPolyhedron().

pimpl

std::unique_ptr<ff::Polyhedron> IFormFactorPolyhedron::pimpl

privateinherited

Definition at line 53 of file IFormFactorPolyhedron.h.

Referenced by IFormFactorPolyhedron::assert_platonic(), IFormFactorPolyhedron::formfactor_at_bottom(), IFormFactorPolyhedron::radialExtension(), IFormFactorPolyhedron::setPolyhedron(), and IFormFactorPolyhedron::volume().

topology

const ff::PolyhedralTopology TruncatedCube::topology

staticprivate

Initial value:

= {{{{0, 1, 7, 6, 9, 10, 4, 3}, true},
                                                         {{0, 2, 1}, false},
                                                         {{3, 4, 5}, false},
                                                         {{9, 11, 10}, false},
                                                         {{6, 7, 8}, false},
                                                         {{0, 3, 5, 17, 15, 12, 14, 2}, true},
                                                         {{4, 10, 11, 23, 22, 16, 17, 5}, true},
                                                         {{1, 2, 14, 13, 19, 20, 8, 7}, true},
                                                         {{6, 8, 20, 18, 21, 23, 11, 9}, true},
                                                         {{15, 17, 16}, false},
                                                         {{12, 13, 14}, false},
                                                         {{18, 20, 19}, false},
                                                         {{21, 22, 23}, false},
                                                         {{12, 15, 16, 22, 21, 18, 19, 13}, true}},
                                                        true}

Definition at line 42 of file TruncatedCube.h.

Referenced by TruncatedCube().

---

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

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