InterferenceFunction2DLattice Class Reference

Interference function of a 2D lattice. More...

Inheritance diagram for InterferenceFunction2DLattice:

Collaboration diagram for InterferenceFunction2DLattice:

Public Member Functions
	InterferenceFunction2DLattice (const Lattice2D &lattice)
	~InterferenceFunction2DLattice () override
void	accept (INodeVisitor *visitor) const override
	Calls the INodeVisitor's visit method. More...
InterferenceFunction2DLattice *	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...
std::string	displayName () const
	Returns display name, composed from the name of node and it's copy number. More...
double	DWfactor (kvector_t q) const
	Evaluates the Debye-Waller factor for a given wavevector transfer. More...
virtual double	evaluate (const kvector_t q, double outer_iff=1.0) const
	Evaluates the interference function for a given wavevector transfer. More...
std::vector< const INode * >	getChildren () const override
	Returns a vector of children. More...
const std::string &	getName () const
double	getParticleDensity () const override
	Returns the particle density associated with this 2d lattice. More...
bool	integrationOverXi () const
bool	isMagnetic () const
	Returns true if there is any magnetic material in this ISampleNode. More...
const Lattice2D &	lattice () const
virtual const Material *	material () const
	Returns nullptr, unless overwritten to return a specific material. More...
void	onChange () override
	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
double	positionVariance () const
	Returns the position variance. More...
std::vector< const INode * >	progeny () const
	Returns a vector of all descendants. 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	setDecayFunction (const IFTDecayFunction2D &decay)
	Sets two-dimensional decay function. More...
void	setIntegrationOverXi (bool integrate_xi)
void	setName (const std::string &name)
void	setParameterValue (const std::string &name, double value)
virtual void	setParent (const INode *newParent)
void	setPositionVariance (double var)
	Sets the variance of the position for the calculation of the DW factor It is defined as the variance in each relevant dimension. More...
void	setVectorValue (const std::string &base_name, kvector_t value)
virtual bool	supportsMultilayer () const
	Indicates if this interference function can be used with a multilayer (DWBA mode) 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...

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
double	iff_no_inner (const kvector_t q, double outer_iff) const
	Calculates the structure factor in the absence of extra inner structure. More...

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

Private Member Functions
std::pair< double, double >	calculateReciprocalVectorFraction (double qx, double qy, double xi) const
	Returns qx,qy coordinates of q - qint, where qint is a reciprocal lattice vector bounding the reciprocal unit cell to which q belongs. More...
double	iff_without_dw (const kvector_t q) const override
	Calculates the structure factor without Debye-Waller factor. More...
void	initialize_calc_factors ()
	Initializes factors needed in each calculation. More...
void	initialize_rec_vectors ()
	Initializes the x,y coordinates of the a*,b* reciprocal bases. More...
double	interferenceAtOneRecLatticePoint (double qx, double qy) const
	Returns interference from a single reciprocal lattice vector. More...
double	interferenceForXi (double xi) const
std::pair< double, double >	rotateOrthonormal (double qx, double qy, double gamma) const
	Returns reciprocal coordinates in the coordinate system rotated by the angle gamma. More...

Private Attributes
std::unique_ptr< IFTDecayFunction2D >	m_decay
bool	m_integrate_xi
	Integrate over the orientation xi. More...
std::unique_ptr< Lattice2D >	m_lattice
int	m_na
std::string	m_name
int	m_nb
	determines the number of reciprocal lattice points to use More...
const INode *	m_parent {nullptr}
std::unique_ptr< ParameterPool >	m_pool
	parameter pool (kind of pointer-to-implementation) More...
double	m_qx
double	m_qy
Lattice2D::ReciprocalBases	m_sbase
	reciprocal lattice is stored without xi More...

Detailed Description

Interference function of a 2D lattice.

Definition at line 26 of file InterferenceFunction2DLattice.h.

Constructor & Destructor Documentation

InterferenceFunction2DLattice()

InterferenceFunction2DLattice::InterferenceFunction2DLattice

(

const Lattice2D &

lattice

)

Definition at line 27 of file InterferenceFunction2DLattice.cpp.

    : IInterferenceFunction(0), m_integrate_xi(false)
{
    setName("Interference2DLattice");
    m_lattice.reset(lattice.clone());
    registerChild(m_lattice.get());
    initialize_rec_vectors();
}

References Lattice2D::clone(), initialize_rec_vectors(), lattice(), m_lattice, INode::registerChild(), and IParametricComponent::setName().

Referenced by clone().

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~InterferenceFunction2DLattice()

InterferenceFunction2DLattice::~InterferenceFunction2DLattice ( )

overridedefault

Member Function Documentation

accept()

void InterferenceFunction2DLattice::accept ( INodeVisitor *  visitor ) const

inlineoverridevirtual

Calls the INodeVisitor's visit method.

Implements INode.

Definition at line 33 of file InterferenceFunction2DLattice.h.

{ visitor->visit(this); }

References INodeVisitor::visit().

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calculateReciprocalVectorFraction()

std::pair< double, double > InterferenceFunction2DLattice::calculateReciprocalVectorFraction ( double  qx, double  qy, double  xi  ) const

private

Returns qx,qy coordinates of q - qint, where qint is a reciprocal lattice vector bounding the reciprocal unit cell to which q belongs.

Definition at line 140 of file InterferenceFunction2DLattice.cpp.

{
    double a = m_lattice->length1();
    double b = m_lattice->length2();
    double alpha = m_lattice->latticeAngle();
    // first rotate the input to the system of m_sbase:
    double qx_rot = qx * std::cos(xi) + qy * std::sin(xi);
    double qy_rot = -qx * std::sin(xi) + qy * std::cos(xi);
 
    // find the reciprocal lattice coordinates of (qx_rot, qy_rot):
    int qa_int = static_cast<int>(std::lround(a * qx_rot / M_TWOPI));
    int qb_int = static_cast<int>(
        std::lround(b * (qx_rot * std::cos(alpha) + qy_rot * std::sin(alpha)) / M_TWOPI));
    // take the fractional part only (in m_sbase coordinates)
    double qx_frac = qx_rot - qa_int * m_sbase.m_asx - qb_int * m_sbase.m_bsx;
    double qy_frac = qy_rot - qa_int * m_sbase.m_asy - qb_int * m_sbase.m_bsy;
    return {qx_frac, qy_frac};
}

References Lattice2D::ReciprocalBases::m_asx, Lattice2D::ReciprocalBases::m_asy, Lattice2D::ReciprocalBases::m_bsx, Lattice2D::ReciprocalBases::m_bsy, m_lattice, m_sbase, and M_TWOPI.

Referenced by interferenceForXi().

clone()

InterferenceFunction2DLattice * InterferenceFunction2DLattice::clone ( ) const

overridevirtual

Returns a clone of this ISampleNode object.

Implements IInterferenceFunction.

Definition at line 38 of file InterferenceFunction2DLattice.cpp.

{
    auto* ret = new InterferenceFunction2DLattice(*m_lattice);
    ret->setPositionVariance(m_position_var);
    ret->setIntegrationOverXi(integrationOverXi());
    if (m_decay)
        ret->setDecayFunction(*m_decay);
    return ret;
}

References InterferenceFunction2DLattice(), integrationOverXi(), m_decay, m_lattice, and IInterferenceFunction::m_position_var.

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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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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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DWfactor()

double IInterferenceFunction::DWfactor ( kvector_t  q ) const

inherited

Evaluates the Debye-Waller factor for a given wavevector transfer.

Definition at line 48 of file IInterferenceFunction.cpp.

{
    // remove z component for two dimensional interference functions:
    if (supportsMultilayer())
        q.setZ(0.0);
    return std::exp(-q.mag2() * m_position_var);
}

References IInterferenceFunction::m_position_var, BasicVector3D< T >::mag2(), BasicVector3D< T >::setZ(), and IInterferenceFunction::supportsMultilayer().

Referenced by IInterferenceFunction::iff_no_inner().

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evaluate()

double IInterferenceFunction::evaluate ( const kvector_t  q, double  outer_iff = 1.0  ) const

virtualinherited

Evaluates the interference function for a given wavevector transfer.

Reimplemented in InterferenceFunction2DSuperLattice.

Definition at line 35 of file IInterferenceFunction.cpp.

{
    return iff_no_inner(q, outer_iff);
}

References IInterferenceFunction::iff_no_inner().

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getChildren()

std::vector< const INode * > InterferenceFunction2DLattice::getChildren ( ) const

overridevirtual

Returns a vector of children.

Reimplemented from INode.

Definition at line 77 of file InterferenceFunction2DLattice.cpp.

{
    return std::vector<const INode*>() << m_decay << m_lattice;
}

References m_decay, and m_lattice.

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().

getParticleDensity()

double InterferenceFunction2DLattice::getParticleDensity ( ) const

overridevirtual

Returns the particle density associated with this 2d lattice.

Reimplemented from IInterferenceFunction.

Definition at line 71 of file InterferenceFunction2DLattice.cpp.

{
    double area = m_lattice->unitCellArea();
    return area == 0.0 ? 0.0 : 1.0 / area;
}

References m_lattice.

Referenced by interferenceForXi().

iff_no_inner()

double IInterferenceFunction::iff_no_inner ( const kvector_t  q, double  outer_iff  ) const

protectedinherited

Calculates the structure factor in the absence of extra inner structure.

Definition at line 56 of file IInterferenceFunction.cpp.

{
    return DWfactor(q) * (iff_without_dw(q) * outer_iff - 1.0) + 1.0;
}

References IInterferenceFunction::DWfactor(), and IInterferenceFunction::iff_without_dw().

Referenced by IInterferenceFunction::evaluate(), and InterferenceFunction2DSuperLattice::interferenceForXi().

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iff_without_dw()

double InterferenceFunction2DLattice::iff_without_dw ( const kvector_t  q ) const

overrideprivatevirtual

Calculates the structure factor without Debye-Waller factor.

Implements IInterferenceFunction.

Definition at line 88 of file InterferenceFunction2DLattice.cpp.

{
    if (!m_decay)
        throw std::runtime_error("InterferenceFunction2DLattice::evaluate"
                                 " -> Error! No decay function defined.");
    m_qx = q.x();
    m_qy = q.y();
    if (!m_integrate_xi)
        return interferenceForXi(m_lattice->rotationAngle());
    return RealIntegrator().integrate([&](double xi) -> double { return interferenceForXi(xi); },
                                      0.0, M_TWOPI)
           / M_TWOPI;
}

References RealIntegrator::integrate(), interferenceForXi(), m_decay, m_integrate_xi, m_lattice, m_qx, m_qy, M_TWOPI, BasicVector3D< T >::x(), and BasicVector3D< T >::y().

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initialize_calc_factors()

void InterferenceFunction2DLattice::initialize_calc_factors ( )

private

Initializes factors needed in each calculation.

Definition at line 172 of file InterferenceFunction2DLattice.cpp.

{
    if (!m_decay)
        throw std::runtime_error("InterferenceFunction2DLattice::initialize_calc_factors"
                                 " -> Error! No decay function defined.");
 
    // number of reciprocal lattice points to use
    auto q_bounds = m_decay->boundingReciprocalLatticeCoordinates(
        nmax / m_decay->decayLengthX(), nmax / m_decay->decayLengthY(), m_lattice->length1(),
        m_lattice->length2(), m_lattice->latticeAngle());
    m_na = static_cast<int>(std::lround(q_bounds.first + 0.5));
    m_nb = static_cast<int>(std::lround(q_bounds.second + 0.5));
    m_na = std::max(m_na, min_points);
    m_nb = std::max(m_nb, min_points);
}

References m_decay, m_lattice, m_na, and m_nb.

Referenced by onChange(), and setDecayFunction().

initialize_rec_vectors()

void InterferenceFunction2DLattice::initialize_rec_vectors ( )

private

Initializes the x,y coordinates of the a*,b* reciprocal bases.

Definition at line 161 of file InterferenceFunction2DLattice.cpp.

{
    if (!m_lattice)
        throw std::runtime_error("InterferenceFunction2DLattice::initialize_rec_vectors() -> "
                                 "Error. No lattice defined yet");
 
    BasicLattice2D base_lattice(m_lattice->length1(), m_lattice->length2(),
                                m_lattice->latticeAngle(), 0.);
    m_sbase = base_lattice.reciprocalBases();
}

References m_lattice, m_sbase, and Lattice2D::reciprocalBases().

Referenced by InterferenceFunction2DLattice(), and onChange().

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integrationOverXi()

bool InterferenceFunction2DLattice::integrationOverXi ( ) const

inline

Definition at line 38 of file InterferenceFunction2DLattice.h.

{ return m_integrate_xi; }

References m_integrate_xi.

Referenced by clone(), and TransformFromDomain::set2DLatticeItem().

interferenceAtOneRecLatticePoint()

double InterferenceFunction2DLattice::interferenceAtOneRecLatticePoint ( double  qx, double  qy  ) const

private

Returns interference from a single reciprocal lattice vector.

Definition at line 117 of file InterferenceFunction2DLattice.cpp.

{
    if (!m_decay)
        throw std::runtime_error("InterferenceFunction2DLattice::interferenceAtOneRecLatticePoint"
                                 " -> Error! No decay function defined.");
    double gamma = m_decay->gamma();
    auto qXY = rotateOrthonormal(qx, qy, gamma);
    return m_decay->evaluate(qXY.first, qXY.second);
}

References m_decay, and rotateOrthonormal().

Referenced by interferenceForXi().

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interferenceForXi()

double InterferenceFunction2DLattice::interferenceForXi ( double  xi ) const

private

Definition at line 102 of file InterferenceFunction2DLattice.cpp.

{
    double result = 0.0;
    auto q_frac = calculateReciprocalVectorFraction(m_qx, m_qy, xi);
 
    for (int i = -m_na - 1; i < m_na + 2; ++i) {
        for (int j = -m_nb - 1; j < m_nb + 2; ++j) {
            double qx = q_frac.first + i * m_sbase.m_asx + j * m_sbase.m_bsx;
            double qy = q_frac.second + i * m_sbase.m_asy + j * m_sbase.m_bsy;
            result += interferenceAtOneRecLatticePoint(qx, qy);
        }
    }
    return getParticleDensity() * result;
}

References calculateReciprocalVectorFraction(), getParticleDensity(), interferenceAtOneRecLatticePoint(), Lattice2D::ReciprocalBases::m_asx, Lattice2D::ReciprocalBases::m_asy, Lattice2D::ReciprocalBases::m_bsx, Lattice2D::ReciprocalBases::m_bsy, m_na, m_nb, m_qx, m_qy, and m_sbase.

Referenced by iff_without_dw().

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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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lattice()

const Lattice2D & InterferenceFunction2DLattice::lattice

(

)

const

Definition at line 63 of file InterferenceFunction2DLattice.cpp.

{
    if (!m_lattice)
        throw std::runtime_error("InterferenceFunction2DLattice::lattice() -> Error. "
                                 "No lattice defined.");
    return *m_lattice;
}

References m_lattice.

Referenced by InterferenceFunction2DLattice(), and TransformFromDomain::set2DLatticeItem().

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(), FormFactorCrystal::setAmbientMaterial(), FormFactorWeighted::setAmbientMaterial(), FormFactorDecoratorMaterial::setAmbientMaterial(), IFormFactorDecorator::setAmbientMaterial(), and FormFactorDecoratorMaterial::setMaterial().

onChange()

void InterferenceFunction2DLattice::onChange ( )

overridevirtual

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

Reimplemented from IParametricComponent.

Definition at line 82 of file InterferenceFunction2DLattice.cpp.

{
    initialize_rec_vectors();
    initialize_calc_factors();
}

References initialize_calc_factors(), and initialize_rec_vectors().

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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().

positionVariance()

double IInterferenceFunction::positionVariance ( ) const

inlineinherited

Returns the position variance.

Definition at line 39 of file IInterferenceFunction.h.

{ return m_position_var; }

References IInterferenceFunction::m_position_var.

Referenced by TransformFromDomain::setFinite2DLatticeItem().

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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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(), 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(), 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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rotateOrthonormal()

std::pair< double, double > InterferenceFunction2DLattice::rotateOrthonormal ( double  qx, double  qy, double  gamma  ) const

private

Returns reciprocal coordinates in the coordinate system rotated by the angle gamma.

Definition at line 128 of file InterferenceFunction2DLattice.cpp.

{
    double q_X = qx * std::cos(gamma) + qy * std::sin(gamma);
    double q_Y = -qx * std::sin(gamma) + qy * std::cos(gamma);
    return {q_X, q_Y};
}

Referenced by interferenceAtOneRecLatticePoint().

setDecayFunction()

void InterferenceFunction2DLattice::setDecayFunction

(

const IFTDecayFunction2D &

decay

)

Sets two-dimensional decay function.

Parameters

decay

two-dimensional decay function in reciprocal space

Definition at line 50 of file InterferenceFunction2DLattice.cpp.

{
    m_decay.reset(decay.clone());
    registerChild(m_decay.get());
    initialize_calc_factors();
}

References IFTDecayFunction2D::clone(), initialize_calc_factors(), m_decay, and INode::registerChild().

Referenced by BoxesSquareLattice2DBuilder::buildSample(), ParticleCompositionBuilder::buildSample(), Basic2DLatticeBuilder::buildSample(), SquareLattice2DBuilder::buildSample(), CenteredSquareLattice2DBuilder::buildSample(), and RotatedSquareLattice2DBuilder::buildSample().

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setIntegrationOverXi()

void InterferenceFunction2DLattice::setIntegrationOverXi

(

bool

integrate_xi

)

Definition at line 57 of file InterferenceFunction2DLattice.cpp.

{
    m_integrate_xi = integrate_xi;
    m_lattice->setRotationEnabled(!m_integrate_xi); // deregister Xi in the case of integration
}

References m_integrate_xi, and m_lattice.

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::FormFactorCrystal(), FormFactorDecoratorMaterial::FormFactorDecoratorMaterial(), FormFactorDecoratorPositionFactor::FormFactorDecoratorPositionFactor(), FormFactorDecoratorRotation::FormFactorDecoratorRotation(), FormFactorWeighted::FormFactorWeighted(), HexagonalLattice2D::HexagonalLattice2D(), IDetector::IDetector(), INode::INode(), Instrument::Instrument(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), 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().

setPositionVariance()

void IInterferenceFunction::setPositionVariance ( double  var )

inherited

Sets the variance of the position for the calculation of the DW factor It is defined as the variance in each relevant dimension.

Definition at line 40 of file IInterferenceFunction.cpp.

{
    if (var < 0.0)
        throw std::runtime_error("IInterferenceFunction::setPositionVariance: "
                                 "variance should be positive.");
    m_position_var = var;
}

References IInterferenceFunction::m_position_var.

Referenced by FiniteSquareLattice2DBuilder::buildSample(), SuperLatticeBuilder::buildSample(), and InterferenceFunctionItem::setPositionVariance().

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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supportsMultilayer()

virtual bool IInterferenceFunction::supportsMultilayer ( ) const

inlinevirtualinherited

Indicates if this interference function can be used with a multilayer (DWBA mode)

Reimplemented in InterferenceFunctionFinite3DLattice, and InterferenceFunction3DLattice.

Definition at line 46 of file IInterferenceFunction.h.

{ return true; }

Referenced by IInterferenceFunction::DWfactor().

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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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_decay

std::unique_ptr<IFTDecayFunction2D> InterferenceFunction2DLattice::m_decay

private

Definition at line 72 of file InterferenceFunction2DLattice.h.

Referenced by clone(), getChildren(), iff_without_dw(), initialize_calc_factors(), interferenceAtOneRecLatticePoint(), and setDecayFunction().

m_integrate_xi

bool InterferenceFunction2DLattice::m_integrate_xi

private

Integrate over the orientation xi.

Definition at line 71 of file InterferenceFunction2DLattice.h.

Referenced by iff_without_dw(), integrationOverXi(), and setIntegrationOverXi().

m_lattice

std::unique_ptr<Lattice2D> InterferenceFunction2DLattice::m_lattice

private

Definition at line 73 of file InterferenceFunction2DLattice.h.

Referenced by InterferenceFunction2DLattice(), calculateReciprocalVectorFraction(), clone(), getChildren(), getParticleDensity(), iff_without_dw(), initialize_calc_factors(), initialize_rec_vectors(), lattice(), and setIntegrationOverXi().

m_na

int InterferenceFunction2DLattice::m_na

private

Definition at line 75 of file InterferenceFunction2DLattice.h.

Referenced by initialize_calc_factors(), and interferenceForXi().

m_name

std::string IParametricComponent::m_name

privateinherited

Definition at line 73 of file IParametricComponent.h.

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

m_nb

int InterferenceFunction2DLattice::m_nb

private

determines the number of reciprocal lattice points to use

Definition at line 75 of file InterferenceFunction2DLattice.h.

Referenced by initialize_calc_factors(), and interferenceForXi().

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_var

double IInterferenceFunction::m_position_var

protectedinherited

Definition at line 52 of file IInterferenceFunction.h.

Referenced by IInterferenceFunction::IInterferenceFunction(), InterferenceFunctionNone::clone(), InterferenceFunctionRadialParaCrystal::clone(), InterferenceFunctionTwin::clone(), InterferenceFunction1DLattice::clone(), clone(), InterferenceFunction2DParaCrystal::clone(), InterferenceFunction2DSuperLattice::clone(), InterferenceFunction3DLattice::clone(), InterferenceFunctionFinite2DLattice::clone(), InterferenceFunctionFinite3DLattice::clone(), InterferenceFunctionHardDisk::clone(), IInterferenceFunction::DWfactor(), IInterferenceFunction::positionVariance(), and IInterferenceFunction::setPositionVariance().

m_qx

double InterferenceFunction2DLattice::m_qx

mutableprivate

Definition at line 76 of file InterferenceFunction2DLattice.h.

Referenced by iff_without_dw(), and interferenceForXi().

m_qy

double InterferenceFunction2DLattice::m_qy

mutableprivate

Definition at line 77 of file InterferenceFunction2DLattice.h.

Referenced by iff_without_dw(), and interferenceForXi().

m_sbase

Lattice2D::ReciprocalBases InterferenceFunction2DLattice::m_sbase

private

reciprocal lattice is stored without xi

Definition at line 74 of file InterferenceFunction2DLattice.h.

Referenced by calculateReciprocalVectorFraction(), initialize_rec_vectors(), and interferenceForXi().

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

• /home/www/ba/Sample/Aggregate/InterferenceFunction2DLattice.h
• /home/www/ba/Sample/Aggregate/InterferenceFunction2DLattice.cpp