FormFactorCrystal Class Reference

The form factor of a MesoCrystal. More...

Inheritance diagram for FormFactorCrystal:

Collaboration diagram for FormFactorCrystal:

Public Member Functions
	FormFactorCrystal (const Lattice3D &lattice, const IFormFactor &basis_form_factor, const IFormFactor &meso_form_factor, double position_variance=0.0)
	~FormFactorCrystal () override
void	accept (INodeVisitor *visitor) const override
	Calls the INodeVisitor's visit method. More...
double	bottomZ (const IRotation &rotation) const override
	Returns the z-coordinate of the lowest point in this shape after a given rotation. More...
FormFactorCrystal *	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...
int	copyNumber (const INode *node) const
	Returns copyNumber of child, which takes into account existence of children with same name. More...
ParameterPool *	createParameterTree () const
	Creates new parameter pool, with all local parameters and those of its children. More...
IFormFactor *	createSlicedFormFactor (ZLimits limits, const IRotation &rot, kvector_t translation) const
	Creates a (possibly sliced) form factor with the given rotation and translation. More...
std::string	displayName () const
	Returns display name, composed from the name of node and it's copy number. More...
complex_t	evaluate (const WavevectorInfo &wavevectors) const override
	Returns scattering amplitude for complex wavevectors ki, kf. More...
Eigen::Matrix2cd	evaluatePol (const WavevectorInfo &wavevectors) const override
	Returns scattering amplitude for matrix interactions. More...
virtual std::vector< const INode * >	getChildren () const
	Returns a vector of children. More...
const std::string &	getName () 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 void	onChange ()
	Action to be taken in inherited class when a parameter has changed. More...
RealParameter *	parameter (const std::string &name) const
	Returns parameter with given 'name'. More...
ParameterPool *	parameterPool () const
	Returns pointer to the parameter pool. More...
std::string	parametersToString () const
	Returns multiline string representing available parameters. More...
INode *	parent ()
const INode *	parent () const
std::vector< const INode * >	progeny () const
	Returns a vector of all descendants. More...
double	radialExtension () const override
	Returns the (approximate in some cases) radial size of the particle of this form factor's shape. More...
void	registerChild (INode *node)
RealParameter &	registerParameter (const std::string &name, double *parpointer)
void	registerVector (const std::string &base_name, kvector_t *p_vec, const std::string &units="nm")
void	removeParameter (const std::string &name)
void	removeVector (const std::string &base_name)
void	setAmbientMaterial (const Material &material) override
	Passes the material in which this particle is embedded. More...
void	setName (const std::string &name)
void	setParameterValue (const std::string &name, double value)
virtual void	setParent (const INode *newParent)
virtual void	setSpecularInfo (std::unique_ptr< const ILayerRTCoefficients >, std::unique_ptr< const ILayerRTCoefficients >)
	Sets reflection/transmission info. More...
void	setVectorValue (const std::string &base_name, kvector_t value)
double	topZ (const IRotation &rotation) const override
	Returns the z-coordinate of the lowest point in this shape after a given rotation. More...
virtual void	transferToCPP ()
	Used for Python overriding of clone (see swig/tweaks.py) More...
virtual std::string	treeToString () const
	Returns multiline string representing tree structure below the node. More...
double	volume () const override
	Returns the total volume of the particle of this form factor's shape. More...

Static Public Member Functions
static std::string	XComponentName (const std::string &base_name)
static std::string	YComponentName (const std::string &base_name)
static std::string	ZComponentName (const std::string &base_name)

Protected Member Functions
virtual bool	canSliceAnalytically (const IRotation &rot) const
	Checks if slicing has a fast analytical solution. More...
virtual IFormFactor *	sliceFormFactor (ZLimits limits, const IRotation &rot, kvector_t translation) const
	Actually slices the form factor or throws an exception. More...

Static Protected Member Functions
static IFormFactor *	createTransformedFormFactor (const IFormFactor &formfactor, const IRotation &rot, kvector_t translation)

Protected Attributes
const size_t	m_NP
std::vector< double >	m_P

Private Member Functions
void	calculateLargestReciprocalDistance ()
complex_t	debyeWallerFactor (const kvector_t &q_i) const

Private Attributes
IFormFactor *	m_basis_form_factor
Lattice3D	m_lattice
double	m_max_rec_length
IFormFactor *	m_meso_form_factor
	The outer shape of this mesocrystal. More...
std::string	m_name
const INode *	m_parent {nullptr}
std::unique_ptr< ParameterPool >	m_pool
	parameter pool (kind of pointer-to-implementation) More...
double	m_position_variance

Detailed Description

The form factor of a MesoCrystal.

Definition at line 24 of file FormFactorCrystal.h.

Constructor & Destructor Documentation

FormFactorCrystal()

FormFactorCrystal::FormFactorCrystal	(	const Lattice3D &	lattice,
		const IFormFactor &	basis_form_factor,
		const IFormFactor &	meso_form_factor,
		double	position_variance = 0.0
	)

Definition at line 19 of file FormFactorCrystal.cpp.

    : m_lattice(lattice)
    , m_basis_form_factor(basis_form_factor.clone())
    , m_meso_form_factor(meso_form_factor.clone())
    , m_position_variance(position_variance)
{
    setName("FormFactorCrystal");
    calculateLargestReciprocalDistance();
}

References calculateLargestReciprocalDistance(), and IParametricComponent::setName().

Referenced by clone().

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~FormFactorCrystal()

FormFactorCrystal::~FormFactorCrystal ( )

override

Definition at line 30 of file FormFactorCrystal.cpp.

{
    delete m_basis_form_factor;
    delete m_meso_form_factor;
}

References m_basis_form_factor, and m_meso_form_factor.

Member Function Documentation

accept()

void FormFactorCrystal::accept ( INodeVisitor *  visitor ) const

inlineoverridevirtual

Calls the INodeVisitor's visit method.

Implements INode.

Definition at line 36 of file FormFactorCrystal.h.

{ visitor->visit(this); }

References INodeVisitor::visit().

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bottomZ()

double FormFactorCrystal::bottomZ ( const IRotation &  rotation ) const

overridevirtual

Returns the z-coordinate of the lowest point in this shape after a given rotation.

Implements IFormFactor.

Definition at line 36 of file FormFactorCrystal.cpp.

{
    return m_meso_form_factor->bottomZ(rotation);
}

References IFormFactor::bottomZ(), and m_meso_form_factor.

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calculateLargestReciprocalDistance()

void FormFactorCrystal::calculateLargestReciprocalDistance ( )

private

Definition at line 92 of file FormFactorCrystal.cpp.

{
    kvector_t a1 = m_lattice.getBasisVectorA();
    kvector_t a2 = m_lattice.getBasisVectorB();
    kvector_t a3 = m_lattice.getBasisVectorC();
 
    m_max_rec_length = std::max(M_PI / a1.mag(), M_PI / a2.mag());
    m_max_rec_length = std::max(m_max_rec_length, M_PI / a3.mag());
}

References Lattice3D::getBasisVectorA(), Lattice3D::getBasisVectorB(), Lattice3D::getBasisVectorC(), m_lattice, m_max_rec_length, M_PI, and BasicVector3D< T >::mag().

Referenced by FormFactorCrystal().

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canSliceAnalytically()

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

protectedvirtualinherited

Checks if slicing has a fast analytical solution.

Reimplemented in IBornFF, FormFactorFullSphere, and FormFactorDot.

Definition at line 89 of file IFormFactor.cpp.

{
    return false;
}

Referenced by IFormFactor::createSlicedFormFactor().

clone()

FormFactorCrystal* FormFactorCrystal::clone ( ) const

inlineoverridevirtual

Returns a clone of this ISampleNode object.

Implements IFormFactor.

Definition at line 30 of file FormFactorCrystal.h.

    {
        return new FormFactorCrystal(m_lattice, *m_basis_form_factor, *m_meso_form_factor,
                                     m_position_variance);
    }

References FormFactorCrystal(), m_basis_form_factor, m_lattice, m_meso_form_factor, and m_position_variance.

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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 26 of file ISampleNode.cpp.

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

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

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

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copyNumber()

int INode::copyNumber ( const INode *  node ) const

inherited

Returns copyNumber of child, which takes into account existence of children with same name.

Definition at line 94 of file INode.cpp.

{
    if (node->parent() != this)
        return -1;
 
    int result(-1), count(0);
    for (auto child : getChildren()) {
 
        if (child == nullptr)
            throw std::runtime_error("INode::copyNumber() -> Error. Nullptr as child.");
 
        if (child == node)
            result = count;
 
        if (child->getName() == node->getName())
            ++count;
    }
 
    return count > 1 ? result : -1;
}

References INode::getChildren(), IParametricComponent::getName(), and INode::parent().

Referenced by INode::displayName().

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createParameterTree()

ParameterPool * INode::createParameterTree ( ) const

virtualinherited

Creates new parameter pool, with all local parameters and those of its children.

Reimplemented from IParametricComponent.

Definition at line 126 of file INode.cpp.

{
    std::unique_ptr<ParameterPool> result(new ParameterPool);
 
    for (const INode* child : progeny()) {
        const std::string path = NodeUtils::nodePath(child, parent()) + "/";
        child->parameterPool()->copyToExternalPool(path, result.get());
    }
 
    return result.release();
}

References NodeUtils::nodePath(), INode::parent(), and INode::progeny().

Referenced by ISimulation::runSimulation(), DepthProbeSimulation::validateParametrization(), OffSpecularSimulation::validateParametrization(), and SpecularSimulation::validateParametrization().

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createSlicedFormFactor()

IFormFactor * IFormFactor::createSlicedFormFactor ( ZLimits  limits, const IRotation &  rot, kvector_t  translation  ) const

inherited

Creates a (possibly sliced) form factor with the given rotation and translation.

Definition at line 58 of file IFormFactor.cpp.

{
    if (shapeIsContainedInLimits(*this, limits, rot, translation))
        return createTransformedFormFactor(*this, rot, translation);
    if (shapeOutsideLimits(*this, limits, rot, translation))
        return nullptr;
    if (canSliceAnalytically(rot))
        return sliceFormFactor(limits, rot, translation);
    throw std::runtime_error(getName()
                             + "::createSlicedFormFactor error: not supported for "
                               "the given rotation!");
}

References IFormFactor::canSliceAnalytically(), IFormFactor::createTransformedFormFactor(), IParametricComponent::getName(), and IFormFactor::sliceFormFactor().

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createTransformedFormFactor()

IFormFactor * IFormFactor::createTransformedFormFactor ( const IFormFactor &  formfactor, const IRotation &  rot, kvector_t  translation  )

staticprotectedinherited

Definition at line 99 of file IFormFactor.cpp.

{
    std::unique_ptr<IFormFactor> P_fftemp, P_result;
    if (!rot.isIdentity())
        P_fftemp = std::make_unique<FormFactorDecoratorRotation>(formfactor, rot);
    else
        P_fftemp.reset(formfactor.clone());
    if (translation != kvector_t())
        P_result = std::make_unique<FormFactorDecoratorPositionFactor>(*P_fftemp, translation);
    else
        std::swap(P_fftemp, P_result);
    return P_result.release();
}

References IFormFactor::clone(), IRotation::isIdentity(), and swap().

Referenced by IFormFactor::createSlicedFormFactor(), FormFactorAnisoPyramid::sliceFormFactor(), FormFactorBox::sliceFormFactor(), FormFactorCone::sliceFormFactor(), FormFactorCone6::sliceFormFactor(), FormFactorCuboctahedron::sliceFormFactor(), FormFactorCylinder::sliceFormFactor(), FormFactorEllipsoidalCylinder::sliceFormFactor(), FormFactorFullSphere::sliceFormFactor(), FormFactorFullSpheroid::sliceFormFactor(), FormFactorLongBoxGauss::sliceFormFactor(), FormFactorLongBoxLorentz::sliceFormFactor(), FormFactorPrism3::sliceFormFactor(), FormFactorPrism6::sliceFormFactor(), FormFactorPyramid::sliceFormFactor(), FormFactorTetrahedron::sliceFormFactor(), FormFactorTruncatedSphere::sliceFormFactor(), and FormFactorTruncatedSpheroid::sliceFormFactor().

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debyeWallerFactor()

complex_t FormFactorCrystal::debyeWallerFactor ( const kvector_t &  q_i ) const

private

Definition at line 102 of file FormFactorCrystal.cpp.

{
    auto q2 = q_i.mag2();
    return std::exp(-q2 * m_position_variance / 2.0);
}

References m_position_variance, and BasicVector3D< T >::mag2().

Referenced by evaluate(), and evaluatePol().

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displayName()

std::string INode::displayName ( ) const

inherited

Returns display name, composed from the name of node and it's copy number.

Definition at line 115 of file INode.cpp.

{
    std::string result = getName();
    if (m_parent) {
        int index = m_parent->copyNumber(this);
        if (index >= 0)
            result = result + std::to_string(index);
    }
    return result;
}

References INode::copyNumber(), IParametricComponent::getName(), and INode::m_parent.

Referenced by NodeUtils::nodePath().

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evaluate()

complex_t FormFactorCrystal::evaluate ( const WavevectorInfo &  wavevectors ) const

overridevirtual

Returns scattering amplitude for complex wavevectors ki, kf.

Implements IFormFactor.

Definition at line 46 of file FormFactorCrystal.cpp.

{
    // retrieve reciprocal lattice vectors within reasonable radius
    cvector_t q = wavevectors.getQ();
    double radius = 2.1 * m_max_rec_length;
    std::vector<kvector_t> rec_vectors =
        m_lattice.reciprocalLatticeVectorsWithinRadius(q.real(), radius);
 
    // perform convolution on these lattice vectors
    complex_t result(0.0, 0.0);
    for (const auto& rec : rec_vectors) {
        auto dw_factor = debyeWallerFactor(rec);
        WavevectorInfo basis_wavevectors(kvector_t(), -rec, wavevectors.wavelength());
        complex_t basis_factor = m_basis_form_factor->evaluate(basis_wavevectors);
        WavevectorInfo meso_wavevectors(cvector_t(), rec.complex() - q, wavevectors.wavelength());
        complex_t meso_factor = m_meso_form_factor->evaluate(meso_wavevectors);
        result += dw_factor * basis_factor * meso_factor;
    }
    // the transformed delta train gets a factor of (2pi)^3/V, but the (2pi)^3
    // is canceled by the convolution of Fourier transforms :
    return result / m_lattice.unitCellVolume();
}

References BasicVector3D< T >::complex(), debyeWallerFactor(), IFormFactor::evaluate(), WavevectorInfo::getQ(), m_basis_form_factor, m_lattice, m_max_rec_length, m_meso_form_factor, BasicVector3D< T >::real(), Lattice3D::reciprocalLatticeVectorsWithinRadius(), Lattice3D::unitCellVolume(), and WavevectorInfo::wavelength().

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evaluatePol()

Eigen::Matrix2cd FormFactorCrystal::evaluatePol ( const WavevectorInfo &  wavevectors ) const

overridevirtual

Returns scattering amplitude for matrix interactions.

Reimplemented from IFormFactor.

Definition at line 69 of file FormFactorCrystal.cpp.

{
    // retrieve reciprocal lattice vectors within reasonable radius
    cvector_t q = wavevectors.getQ();
    double radius = 2.1 * m_max_rec_length;
    std::vector<kvector_t> rec_vectors =
        m_lattice.reciprocalLatticeVectorsWithinRadius(q.real(), radius);
 
    // perform convolution on these lattice vectors
    Eigen::Matrix2cd result = Eigen::Matrix2cd::Zero();
    for (const auto& rec : rec_vectors) {
        auto dw_factor = debyeWallerFactor(rec);
        WavevectorInfo basis_wavevectors(kvector_t(), -rec, wavevectors.wavelength());
        Eigen::Matrix2cd basis_factor = m_basis_form_factor->evaluatePol(basis_wavevectors);
        WavevectorInfo meso_wavevectors(cvector_t(), rec.complex() - q, wavevectors.wavelength());
        complex_t meso_factor = m_meso_form_factor->evaluate(meso_wavevectors);
        result += dw_factor * basis_factor * meso_factor;
    }
    // the transformed delta train gets a factor of (2pi)^3/V, but the (2pi)^3
    // is canceled by the convolution of Fourier transforms :
    return result / m_lattice.unitCellVolume();
}

References BasicVector3D< T >::complex(), debyeWallerFactor(), IFormFactor::evaluate(), IFormFactor::evaluatePol(), WavevectorInfo::getQ(), m_basis_form_factor, m_lattice, m_max_rec_length, m_meso_form_factor, BasicVector3D< T >::real(), Lattice3D::reciprocalLatticeVectorsWithinRadius(), Lattice3D::unitCellVolume(), and WavevectorInfo::wavelength().

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getChildren()

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

virtualinherited

Returns a vector of children.

Reimplemented in SampleProvider, IParticle, ParticleLayout, InterferenceFunctionFinite3DLattice, InterferenceFunctionFinite2DLattice, InterferenceFunction3DLattice, InterferenceFunction2DSuperLattice, InterferenceFunction2DParaCrystal, InterferenceFunction2DLattice, InterferenceFunction1DLattice, IDetector, Beam, ParticleDistribution, ParticleCoreShell, ParticleComposition, Particle, MesoCrystal, Crystal, MultiLayer, Layer, InterferenceFunctionRadialParaCrystal, LayerInterface, ConvolutionDetectorResolution, Instrument, and ISimulation.

Definition at line 63 of file INode.cpp.

{
    return {};
}

Referenced by node_progeny::AllDescendantsOfType(), node_progeny::ChildNodesOfType(), ISampleNode::containedMaterials(), INode::copyNumber(), INode::progeny(), and NodeUtils::progenyPlus().

getName()

const std::string& IParametricComponent::getName ( ) const

inlineinherited

Definition at line 70 of file IParametricComponent.h.

{ return m_name; }

References IParametricComponent::m_name.

Referenced by Beam::Beam(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), IDetector::IDetector(), Instrument::Instrument(), IParametricComponent::IParametricComponent(), SampleBuilderNode::SampleBuilderNode(), Layer::clone(), INode::copyNumber(), IParametricComponent::createParameterTree(), IFormFactor::createSlicedFormFactor(), SampleToPython::defineInterferenceFunctions(), INode::displayName(), Beam::operator=(), SampleBuilderNode::operator=(), GUIObjectBuilder::populateInstrumentModel(), PyImportAssistant::populateModels(), GUIDomainSampleVisitor::populateSampleModel(), IParametricComponent::registerParameter(), IFormFactor::sliceFormFactor(), and GUIDomainSampleVisitor::visit().

isMagnetic()

bool ISampleNode::isMagnetic ( ) const

inherited

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

Definition at line 40 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 ProcessedSample::initLayouts().

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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 37 of file ISampleNode.h.

{ return nullptr; }

Referenced by ISampleNode::containedMaterials(), FormFactorCoreShell::setAmbientMaterial(), setAmbientMaterial(), FormFactorWeighted::setAmbientMaterial(), FormFactorDecoratorMaterial::setAmbientMaterial(), IFormFactorDecorator::setAmbientMaterial(), and FormFactorDecoratorMaterial::setMaterial().

onChange()

virtual void IParametricComponent::onChange ( )

inlinevirtualinherited

Action to be taken in inherited class when a parameter has changed.

Reimplemented in IProfileRipple, Lattice3D, InterferenceFunction3DLattice, InterferenceFunction2DLattice, FormFactorSphereLogNormalRadius, FormFactorSphereGaussianRadius, FormFactorGaussSphere, ISawtoothRipple, ICosineRipple, IProfileRectangularRipple, FormFactorTruncatedSpheroid, FormFactorTruncatedSphere, FormFactorTruncatedCube, FormFactorTetrahedron, FormFactorPyramid, FormFactorPrism6, FormFactorPrism3, FormFactorLongBoxLorentz, FormFactorLongBoxGauss, FormFactorIcosahedron, FormFactorHollowSphere, FormFactorHemiEllipsoid, FormFactorFullSpheroid, FormFactorFullSphere, FormFactorEllipsoidalCylinder, FormFactorDodecahedron, FormFactorCylinder, FormFactorCuboctahedron, FormFactorCone6, FormFactorCone, FormFactorCantellatedCube, FormFactorBox, FormFactorAnisoPyramid, and Lattice2D.

Definition at line 59 of file IParametricComponent.h.

{}

Referenced by Lattice2D::onChange(), and IParametricComponent::registerParameter().

parameter()

RealParameter * IParametricComponent::parameter ( const std::string &  name ) const

inherited

Returns parameter with given 'name'.

Definition at line 86 of file IParametricComponent.cpp.

{
    return m_pool->parameter(name);
}

References IParametricComponent::m_pool, and RealSpace::Particles::name().

Referenced by DepthProbeSimulation::initialize(), SpecularSimulation::initialize(), Lattice3D::initialize(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), IParticle::registerPosition(), Layer::registerThickness(), Lattice2D::setRotationEnabled(), and DistributionLogNormal::setUnits().

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parameterPool()

ParameterPool* IParametricComponent::parameterPool ( ) const

inlineinherited

Returns pointer to the parameter pool.

Definition at line 39 of file IParametricComponent.h.

{ return m_pool.get(); } // has non-const usages!

References IParametricComponent::m_pool.

Referenced by INode::INode(), IParametricComponent::IParametricComponent(), pyfmt2::argumentList(), SampleBuilderNode::borrow_builder_parameters(), SampleBuilderNode::reset(), and IDistribution1D::setUnits().

parametersToString()

std::string IParametricComponent::parametersToString ( ) const

inherited

Returns multiline string representing available parameters.

Definition at line 43 of file IParametricComponent.cpp.

{
    std::ostringstream result;
    std::unique_ptr<ParameterPool> P_pool(createParameterTree());
    result << *P_pool << "\n";
    return result.str();
}

References IParametricComponent::createParameterTree().

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parent() [1/2]

INode * INode::parent ( )

inherited

Definition at line 89 of file INode.cpp.

{
    return const_cast<INode*>(m_parent);
}

References INode::m_parent.

parent() [2/2]

const INode * INode::parent ( ) const

inherited

Definition at line 84 of file INode.cpp.

{
    return m_parent;
}

References INode::m_parent.

Referenced by INode::copyNumber(), INode::createParameterTree(), ParticleDistribution::generateParticles(), NodeUtils::nodePath(), Lattice2D::onChange(), SampleProvider::setBuilder(), SampleProvider::setParent(), and SampleProvider::setSample().

progeny()

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

inherited

Returns a vector of all descendants.

Definition at line 68 of file INode.cpp.

{
    std::vector<const INode*> result;
    result.push_back(this);
    for (const auto* child : getChildren()) {
        for (const auto* p : child->progeny())
            result.push_back(p);
    }
    return result;
}

References INode::getChildren().

Referenced by INode::createParameterTree(), and ParticleDistribution::generateParticles().

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radialExtension()

double FormFactorCrystal::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 FormFactorCrystal.h.

{ return m_meso_form_factor->radialExtension(); }

References m_meso_form_factor, and IFormFactor::radialExtension().

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registerChild()

void INode::registerChild ( INode *  node )

inherited

Definition at line 57 of file INode.cpp.

{
    ASSERT(node);
    node->setParent(this);
}

References ASSERT, and INode::setParent().

Referenced by Beam::Beam(), Crystal::Crystal(), IDetector::IDetector(), Instrument::Instrument(), InterferenceFunction2DLattice::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), Particle::Particle(), ParticleDistribution::ParticleDistribution(), ParticleLayout::addAndRegisterAbstractParticle(), ParticleCoreShell::addAndRegisterCore(), MultiLayer::addAndRegisterInterface(), MultiLayer::addAndRegisterLayer(), ParticleCoreShell::addAndRegisterShell(), Layer::addLayout(), ParticleComposition::addParticlePointer(), ISimulation::initialize(), MesoCrystal::initialize(), Beam::operator=(), Instrument::operator=(), IParticle::rotate(), ParticleLayout::setAndRegisterInterferenceFunction(), ISimulation::setBackground(), InterferenceFunction1DLattice::setDecayFunction(), InterferenceFunction2DLattice::setDecayFunction(), Instrument::setDetector(), IDetector::setDetectorResolution(), Beam::setFootprintFactor(), Particle::setFormFactor(), InterferenceFunctionFinite3DLattice::setLattice(), InterferenceFunctionRadialParaCrystal::setProbabilityDistribution(), InterferenceFunction2DParaCrystal::setProbabilityDistributions(), ConvolutionDetectorResolution::setResolutionFunction(), IParticle::setRotation(), LayerInterface::setRoughness(), and InterferenceFunction2DSuperLattice::setSubstructureIFF().

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registerParameter()

RealParameter & IParametricComponent::registerParameter ( const std::string &  name, double *  parpointer  )

inherited

Definition at line 51 of file IParametricComponent.cpp.

{
    return m_pool->addParameter(
        new RealParameter(name, data, getName(), [&]() -> void { onChange(); }));
}

References IParametricComponent::getName(), IParametricComponent::m_pool, RealSpace::Particles::name(), and IParametricComponent::onChange().

Referenced by BasicLattice2D::BasicLattice2D(), Beam::Beam(), CylindersInBABuilder::CylindersInBABuilder(), DetectionProperties::DetectionProperties(), HexagonalLattice2D::HexagonalLattice2D(), IInterferenceFunction::IInterferenceFunction(), INode::INode(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), Lattice2D::Lattice2D(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleDistribution::ParticleDistribution(), PlainMultiLayerBySLDBuilder::PlainMultiLayerBySLDBuilder(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), ResonatorBuilder::ResonatorBuilder(), SquareLattice2D::SquareLattice2D(), TriangularRippleBuilder::TriangularRippleBuilder(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParametricComponent::registerVector(), ParticleLayout::registerWeight(), and Lattice2D::setRotationEnabled().

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registerVector()

void IParametricComponent::registerVector ( const std::string &  base_name, kvector_t *  p_vec, const std::string &  units = "nm"  )

inherited

Definition at line 57 of file IParametricComponent.cpp.

{
    registerParameter(XComponentName(base_name), &((*p_vec)[0])).setUnit(units);
    registerParameter(YComponentName(base_name), &((*p_vec)[1])).setUnit(units);
    registerParameter(ZComponentName(base_name), &((*p_vec)[2])).setUnit(units);
}

References ModelView::Utils::base_name(), IParametricComponent::registerParameter(), RealParameter::setUnit(), IParametricComponent::XComponentName(), IParametricComponent::YComponentName(), and IParametricComponent::ZComponentName().

Referenced by Beam::Beam(), DetectionProperties::DetectionProperties(), InterferenceFunctionTwin::InterferenceFunctionTwin(), MultiLayer::MultiLayer(), Lattice3D::initialize(), and IParticle::registerPosition().

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removeParameter()

void IParametricComponent::removeParameter ( const std::string &  name )

inherited

Definition at line 91 of file IParametricComponent.cpp.

{
    m_pool->removeParameter(name);
}

References IParametricComponent::m_pool, and RealSpace::Particles::name().

Referenced by IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParametricComponent::removeVector(), and Lattice2D::setRotationEnabled().

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removeVector()

void IParametricComponent::removeVector ( const std::string &  base_name )

inherited

Definition at line 96 of file IParametricComponent.cpp.

{
    removeParameter(XComponentName(base_name));
    removeParameter(YComponentName(base_name));
    removeParameter(ZComponentName(base_name));
}

References ModelView::Utils::base_name(), IParametricComponent::removeParameter(), IParametricComponent::XComponentName(), IParametricComponent::YComponentName(), and IParametricComponent::ZComponentName().

Referenced by IParticle::registerPosition().

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setAmbientMaterial()

void FormFactorCrystal::setAmbientMaterial ( const Material &  )

inlineoverridevirtual

Passes the material in which this particle is embedded.

Implements IFormFactor.

Definition at line 38 of file FormFactorCrystal.h.

    {
        m_basis_form_factor->setAmbientMaterial(material);
    }

References m_basis_form_factor, ISampleNode::material(), and IFormFactor::setAmbientMaterial().

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setName()

void IParametricComponent::setName ( const std::string &  name )

inlineinherited

Definition at line 69 of file IParametricComponent.h.

{ m_name = name; }

References IParametricComponent::m_name, and RealSpace::Particles::name().

Referenced by BasicLattice2D::BasicLattice2D(), Beam::Beam(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), Crystal::Crystal(), DetectionProperties::DetectionProperties(), DistributionHandler::DistributionHandler(), FormFactorCoreShell::FormFactorCoreShell(), FormFactorCrystal(), FormFactorDecoratorMaterial::FormFactorDecoratorMaterial(), FormFactorDecoratorPositionFactor::FormFactorDecoratorPositionFactor(), FormFactorDecoratorRotation::FormFactorDecoratorRotation(), FormFactorWeighted::FormFactorWeighted(), HexagonalLattice2D::HexagonalLattice2D(), IDetector::IDetector(), INode::INode(), Instrument::Instrument(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DLattice::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice(), InterferenceFunction3DLattice::InterferenceFunction3DLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionNone::InterferenceFunctionNone(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), ISampleBuilder::ISampleBuilder(), IsGISAXSDetector::IsGISAXSDetector(), Lattice3D::Lattice3D(), Layer::Layer(), LayerInterface::LayerInterface(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleCoreShell::ParticleCoreShell(), ParticleDistribution::ParticleDistribution(), ParticleLayout::ParticleLayout(), RectangularDetector::RectangularDetector(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), SampleBuilderNode::SampleBuilderNode(), SphericalDetector::SphericalDetector(), SquareLattice2D::SquareLattice2D(), Layer::clone(), LayersWithAbsorptionBuilder::createSampleByIndex(), Basic2DParaCrystalBuilder::createSampleByIndex(), ParticleInVacuumBuilder::createSampleByIndex(), SimpleMagneticRotationBuilder::createSampleByIndex(), DepthProbeSimulation::initialize(), GISASSimulation::initialize(), OffSpecularSimulation::initialize(), SpecularSimulation::initialize(), SpecularDetector1D::initialize(), MesoCrystal::initialize(), Particle::initialize(), ParticleComposition::initialize(), Beam::operator=(), SampleBuilderNode::operator=(), SampleBuilderNode::reset(), and SampleBuilderNode::setSBN().

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setParameterValue()

void IParametricComponent::setParameterValue ( const std::string &  name, double  value  )

inherited

Definition at line 65 of file IParametricComponent.cpp.

{
    if (name.find('*') == std::string::npos && name.find('/') == std::string::npos) {
        m_pool->setParameterValue(name, value);
    } else {
        std::unique_ptr<ParameterPool> P_pool{createParameterTree()};
        if (name.find('*') != std::string::npos)
            P_pool->setMatchedParametersValue(name, value);
        else
            P_pool->setParameterValue(name, value);
    }
}

References IParametricComponent::createParameterTree(), IParametricComponent::m_pool, RealSpace::Particles::name(), and ParameterPool::setMatchedParametersValue().

Referenced by AsymRippleBuilder::buildSample(), and IParametricComponent::setVectorValue().

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setParent()

void INode::setParent ( const INode *  newParent )

virtualinherited

Reimplemented in SampleProvider.

Definition at line 79 of file INode.cpp.

{
    m_parent = newParent;
}

References INode::m_parent.

Referenced by INode::registerChild(), SampleProvider::setBuilder(), and SampleProvider::setParent().

setSpecularInfo()

void IFormFactor::setSpecularInfo ( std::unique_ptr< const ILayerRTCoefficients >  , std::unique_ptr< const ILayerRTCoefficients >    )

virtualinherited

Sets reflection/transmission info.

Definition at line 84 of file IFormFactor.cpp.

{
}

setVectorValue()

void IParametricComponent::setVectorValue ( const std::string &  base_name, kvector_t  value  )

inherited

Definition at line 78 of file IParametricComponent.cpp.

{
    setParameterValue(XComponentName(base_name), value.x());
    setParameterValue(YComponentName(base_name), value.y());
    setParameterValue(ZComponentName(base_name), value.z());
}

References ModelView::Utils::base_name(), IParametricComponent::setParameterValue(), BasicVector3D< T >::x(), IParametricComponent::XComponentName(), BasicVector3D< T >::y(), IParametricComponent::YComponentName(), BasicVector3D< T >::z(), and IParametricComponent::ZComponentName().

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sliceFormFactor()

IFormFactor * IFormFactor::sliceFormFactor ( ZLimits  limits, const IRotation &  rot, kvector_t  translation  ) const

protectedvirtualinherited

Actually slices the form factor or throws an exception.

Reimplemented in FormFactorTruncatedSpheroid, FormFactorTruncatedSphere, FormFactorTetrahedron, FormFactorPyramid, FormFactorPrism6, FormFactorPrism3, FormFactorLongBoxLorentz, FormFactorLongBoxGauss, FormFactorFullSpheroid, FormFactorFullSphere, FormFactorEllipsoidalCylinder, FormFactorCylinder, FormFactorCuboctahedron, FormFactorCone6, FormFactorCone, FormFactorBox, and FormFactorAnisoPyramid.

Definition at line 94 of file IFormFactor.cpp.

{
    throw std::runtime_error(getName() + "::sliceFormFactor error: not implemented!");
}

References IParametricComponent::getName().

Referenced by IFormFactor::createSlicedFormFactor().

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topZ()

double FormFactorCrystal::topZ ( const IRotation &  rotation ) const

overridevirtual

Returns the z-coordinate of the lowest point in this shape after a given rotation.

Implements IFormFactor.

Definition at line 41 of file FormFactorCrystal.cpp.

{
    return m_meso_form_factor->topZ(rotation);
}

References m_meso_form_factor, and IFormFactor::topZ().

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transferToCPP()

virtual void ICloneable::transferToCPP ( )

inlinevirtualinherited

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

Definition at line 34 of file ICloneable.h.

treeToString()

std::string INode::treeToString ( ) const

virtualinherited

Returns multiline string representing tree structure below the node.

Definition at line 52 of file INode.cpp.

{
    return NodeUtils::nodeToString(this);
}

References NodeUtils::nodeToString().

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volume()

double FormFactorCrystal::volume ( ) const

inlineoverridevirtual

Returns the total volume of the particle of this form factor's shape.

Reimplemented from IFormFactor.

Definition at line 43 of file FormFactorCrystal.h.

{ return m_meso_form_factor->volume(); }

References m_meso_form_factor, and IFormFactor::volume().

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XComponentName()

std::string IParametricComponent::XComponentName ( const std::string &  base_name )

staticinherited

Definition at line 103 of file IParametricComponent.cpp.

{
    return base_name + "X";
}

References ModelView::Utils::base_name().

Referenced by Lattice3D::initialize(), IParticle::registerPosition(), IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().

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YComponentName()

std::string IParametricComponent::YComponentName ( const std::string &  base_name )

staticinherited

Definition at line 108 of file IParametricComponent.cpp.

{
    return base_name + "Y";
}

References ModelView::Utils::base_name().

Referenced by IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().

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ZComponentName()

std::string IParametricComponent::ZComponentName ( const std::string &  base_name )

staticinherited

Definition at line 113 of file IParametricComponent.cpp.

{
    return base_name + "Z";
}

References ModelView::Utils::base_name().

Referenced by IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().

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Member Data Documentation

m_basis_form_factor

IFormFactor* FormFactorCrystal::m_basis_form_factor

private

Definition at line 60 of file FormFactorCrystal.h.

Referenced by ~FormFactorCrystal(), clone(), evaluate(), evaluatePol(), and setAmbientMaterial().

m_lattice

Lattice3D FormFactorCrystal::m_lattice

private

Definition at line 59 of file FormFactorCrystal.h.

Referenced by calculateLargestReciprocalDistance(), clone(), evaluate(), and evaluatePol().

m_max_rec_length

double FormFactorCrystal::m_max_rec_length

private

Definition at line 63 of file FormFactorCrystal.h.

Referenced by calculateLargestReciprocalDistance(), evaluate(), and evaluatePol().

m_meso_form_factor

IFormFactor* FormFactorCrystal::m_meso_form_factor

private

The outer shape of this mesocrystal.

Definition at line 61 of file FormFactorCrystal.h.

Referenced by ~FormFactorCrystal(), bottomZ(), clone(), evaluate(), evaluatePol(), radialExtension(), topZ(), and volume().

m_name

std::string IParametricComponent::m_name

privateinherited

Definition at line 73 of file IParametricComponent.h.

Referenced by IParametricComponent::getName(), and IParametricComponent::setName().

m_NP

const size_t INode::m_NP

protectedinherited

Definition at line 88 of file INode.h.

Referenced by INode::INode().

m_P

std::vector<double> INode::m_P

protectedinherited

Definition at line 89 of file INode.h.

Referenced by INode::INode(), and IFootprintFactor::setWidthRatio().

m_parent

const INode* INode::m_parent {nullptr}

privateinherited

Definition at line 83 of file INode.h.

Referenced by INode::displayName(), INode::parent(), and INode::setParent().

m_pool

std::unique_ptr<ParameterPool> IParametricComponent::m_pool

privateinherited

parameter pool (kind of pointer-to-implementation)

Definition at line 74 of file IParametricComponent.h.

Referenced by IParametricComponent::createParameterTree(), IParametricComponent::parameter(), IParametricComponent::parameterPool(), IParametricComponent::registerParameter(), IParametricComponent::removeParameter(), and IParametricComponent::setParameterValue().

m_position_variance

double FormFactorCrystal::m_position_variance

private

Definition at line 62 of file FormFactorCrystal.h.

Referenced by clone(), and debyeWallerFactor().

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

• /home/www/ba/Sample/Particle/FormFactorCrystal.h
• /home/www/ba/Sample/Particle/FormFactorCrystal.cpp