ParticleComposition Class Reference

Inheritance diagram for ParticleComposition:

Collaboration diagram for ParticleComposition:

Public Member Functions
	ParticleComposition ()
	ParticleComposition (const IParticle &particle, std::vector< kvector_t > positions)
	~ParticleComposition ()
ParticleComposition *	clone () const override final
void	accept (INodeVisitor *visitor) const override final
IFormFactor *	createFormFactor () const override final
void	addParticle (const IParticle &particle)
void	addParticle (const IParticle &particle, kvector_t position)
void	addParticles (const IParticle &particle, std::vector< kvector_t > positions)
size_t	nbrParticles () const
std::vector< const INode * >	getChildren () const override final
SafePointerVector< IParticle >	decompose () const override final
ParticleLimits	bottomTopZ () const override final
virtual SlicedParticle	createSlicedParticle (ZLimits limits) const
kvector_t	position () const
void	setPosition (kvector_t position)
void	setPosition (double x, double y, double z)
void	translate (kvector_t translation) override final
const IRotation *	rotation () const
void	setRotation (const IRotation &rotation)
void	rotate (const IRotation &rotation) override final
void	registerAbundance (bool make_registered=true)
void	registerPosition (bool make_registered=true)
double	abundance () const
void	setAbundance (double abundance)
virtual const Material *	material () const
std::vector< const Material * >	containedMaterials () const
virtual void	transferToCPP ()
virtual std::string	treeToString () const
void	registerChild (INode *node)
virtual void	setParent (const INode *newParent)
const INode *	parent () const
INode *	parent ()
int	copyNumber (const INode *node) const
std::string	displayName () const
ParameterPool *	createParameterTree () const
ParameterPool *	parameterPool () const
std::string	parametersToString () const
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	setParameterValue (const std::string &name, double value)
void	setVectorValue (const std::string &base_name, kvector_t value)
RealParameter *	parameter (const std::string &name) const
virtual void	onChange ()
void	removeParameter (const std::string &name)
void	removeVector (const std::string &base_name)
void	setName (const std::string &name)
const std::string &	getName () const

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
IRotation *	createComposedRotation (const IRotation *p_rotation) const
kvector_t	composedTranslation (const IRotation *p_rotation, kvector_t translation) const
void	registerParticleProperties ()

Protected Attributes
kvector_t	m_position
std::unique_ptr< IRotation >	mP_rotation
double	m_abundance {1.0}
const size_t	m_NP
std::vector< double >	m_P

Private Member Functions
size_t	check_index (size_t index) const
void	addParticlePointer (IParticle *p_particle)
void	initialize ()

Private Attributes
std::vector< std::unique_ptr< IParticle > >	m_particles
const INode *	m_parent {nullptr}
std::string	m_name
std::unique_ptr< ParameterPool >	m_pool

Detailed Description

A composition of particles at fixed positions.

Definition at line 24 of file ParticleComposition.h.

Constructor & Destructor Documentation

ParticleComposition() [1/2]

ParticleComposition::ParticleComposition

(

)

Definition at line 21 of file ParticleComposition.cpp.

{
    initialize();
}

References initialize().

Referenced by clone().

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ParticleComposition() [2/2]

ParticleComposition::ParticleComposition	(	const IParticle &	particle,
		std::vector< kvector_t >	positions
	)

Definition at line 26 of file ParticleComposition.cpp.

{
    initialize();
    addParticles(particle, positions);
}

References addParticles(), and initialize().

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~ParticleComposition()

ParticleComposition::~ParticleComposition ( )

default

Member Function Documentation

clone()

ParticleComposition * ParticleComposition::clone ( ) const

finaloverridevirtual

Returns a clone of this ISample object.

Implements IParticle.

Definition at line 35 of file ParticleComposition.cpp.

{
    ParticleComposition* p_result = new ParticleComposition();
    p_result->setAbundance(m_abundance);
    for (size_t index = 0; index < m_particles.size(); ++index)
        p_result->addParticle(*m_particles[index]);
    if (mP_rotation)
        p_result->setRotation(*mP_rotation);
    p_result->setPosition(m_position);
    return p_result;
}

References addParticle(), IAbstractParticle::m_abundance, m_particles, IParticle::m_position, IParticle::mP_rotation, ParticleComposition(), IAbstractParticle::setAbundance(), IParticle::setPosition(), and IParticle::setRotation().

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accept()

void ParticleComposition::accept ( INodeVisitor *  visitor ) const

inlinefinaloverridevirtual

Calls the INodeVisitor's visit method.

Reimplemented from IAbstractParticle.

Definition at line 33 of file ParticleComposition.h.

{ visitor->visit(this); }

createFormFactor()

IFormFactor * ParticleComposition::createFormFactor ( ) const

finaloverridevirtual

Creates a form factor for this particle.

Reimplemented from IParticle.

Definition at line 47 of file ParticleComposition.cpp.

{
    if (m_particles.empty())
        return {};
    auto* result = new FormFactorWeighted;
    auto particles = decompose();
    for (auto p_particle : particles) {
        std::unique_ptr<IFormFactor> P_particle_ff{p_particle->createFormFactor()};
        result->addFormFactor(*P_particle_ff);
    }
    return result;
}

References decompose(), and m_particles.

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addParticle() [1/2]

void ParticleComposition::addParticle

(

const IParticle &

particle

)

Definition at line 60 of file ParticleComposition.cpp.

{
    IParticle* np = particle.clone();
    addParticlePointer(np);
}

References addParticlePointer(), and IParticle::clone().

Referenced by addParticles(), BoxCompositionRotateXBuilder::buildSample(), BoxCompositionRotateYBuilder::buildSample(), BoxCompositionRotateZBuilder::buildSample(), BoxCompositionRotateZandYBuilder::buildSample(), BoxStackCompositionBuilder::buildSample(), SlicedCompositionBuilder::buildSample(), and clone().

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addParticle() [2/2]

void ParticleComposition::addParticle	(	const IParticle &	particle,
		kvector_t	position
	)

Definition at line 66 of file ParticleComposition.cpp.

{
    IParticle* np = particle.clone();
    np->translate(position);
    addParticlePointer(np);
}

References addParticlePointer(), IParticle::clone(), IParticle::position(), and IParticle::translate().

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addParticles()

void ParticleComposition::addParticles	(	const IParticle &	particle,
		std::vector< kvector_t >	positions
	)

Definition at line 75 of file ParticleComposition.cpp.

{
    for (size_t i = 0; i < positions.size(); ++i)
        addParticle(particle, positions[i]);
}

References addParticle().

Referenced by ParticleCompositionBuilder::buildSample(), CenteredSquareLatticeBuilder::buildSample(), and ParticleComposition().

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nbrParticles()

size_t ParticleComposition::nbrParticles ( ) const

inline

Returns number of different particles.

Definition at line 42 of file ParticleComposition.h.

{ return m_particles.size(); }

References m_particles.

getChildren()

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

finaloverridevirtual

Returns a vector of children (const).

Reimplemented from IParticle.

Definition at line 81 of file ParticleComposition.cpp.

{
    std::vector<const INode*> result = IParticle::getChildren();
    for (auto& P_particle : m_particles)
        result.push_back(P_particle.get());
    return result;
}

References IParticle::getChildren(), and m_particles.

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decompose()

SafePointerVector< IParticle > ParticleComposition::decompose ( ) const

finaloverridevirtual

Decompose in constituent IParticle objects.

Reimplemented from IParticle.

Definition at line 89 of file ParticleComposition.cpp.

{
    SafePointerVector<IParticle> result;
    auto p_rotation = rotation();
    auto translation = position();
    for (auto& P_particle : m_particles) {
        auto sublist = P_particle->decompose();
        for (auto p_subparticle : sublist) {
            if (p_rotation)
                p_subparticle->rotate(*p_rotation);
            p_subparticle->translate(translation);
            result.push_back(p_subparticle->clone());
        }
    }
    return result;
}

References m_particles, IParticle::position(), SafePointerVector< T >::push_back(), and IParticle::rotation().

Referenced by bottomTopZ(), and createFormFactor().

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bottomTopZ()

ParticleLimits ParticleComposition::bottomTopZ ( ) const

finaloverridevirtual

Top and bottom z-coordinate.

Reimplemented from IParticle.

Definition at line 106 of file ParticleComposition.cpp.

{
    auto particles = decompose();
    ParticleLimits result = particles[check_index(0)]->bottomTopZ();
    for (auto& P_particle : particles) {
        ParticleLimits limits = P_particle->bottomTopZ();
        result.m_bottom = std::min(result.m_bottom, limits.m_bottom);
        result.m_top = std::max(result.m_top, limits.m_top);
    }
    return result;
}

References check_index(), decompose(), ParticleLimits::m_bottom, and ParticleLimits::m_top.

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check_index()

size_t ParticleComposition::check_index ( size_t  index ) const

private

Definition at line 118 of file ParticleComposition.cpp.

{
    return index < m_particles.size()
               ? index
               : throw Exceptions::OutOfBoundsException(
                   "ParticleComposition::check_index() -> Index is out of bounds");
}

References m_particles.

Referenced by bottomTopZ().

addParticlePointer()

void ParticleComposition::addParticlePointer ( IParticle *  p_particle )

private

For internal use.

Definition at line 126 of file ParticleComposition.cpp.

{
    p_particle->registerAbundance(false);
    registerChild(p_particle);
    m_particles.emplace_back(p_particle);
}

References m_particles, IParticle::registerAbundance(), and INode::registerChild().

Referenced by addParticle().

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initialize()

void ParticleComposition::initialize ( )

private

Definition at line 133 of file ParticleComposition.cpp.

{
    setName("ParticleComposition");
    registerParticleProperties();
}

References IParticle::registerParticleProperties(), and IParameterized::setName().

Referenced by ParticleComposition().

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createSlicedParticle()

SlicedParticle IParticle::createSlicedParticle ( ZLimits  limits ) const

virtualinherited

Creates a sliced form factor for this particle.

Reimplemented in ParticleCoreShell, Particle, and MesoCrystal.

Definition at line 28 of file IParticle.cpp.

{
    throw std::runtime_error("IParticle::createSlicedParticle error: "
                             "not implemented!");
}

Referenced by SlicedFormFactorList::addParticle(), and IParticle::createFormFactor().

position()

kvector_t IParticle::position ( ) const

inlineinherited

Returns particle position.

Definition at line 45 of file IParticle.h.

{ return m_position; }

References IParticle::m_position.

Referenced by addParticle(), decompose(), IParticle::setPosition(), and SampleToPython::setPositionInformation().

setPosition() [1/2]

void IParticle::setPosition ( kvector_t  position )

inlineinherited

Sets relative position of the particle's reference point in the coordinate system of parent.

Parameters

position

relative position vector (components are in nanometers)

Definition at line 50 of file IParticle.h.

{ m_position = position; }

References IParticle::m_position, and IParticle::position().

Referenced by BoxCompositionRotateXBuilder::buildSample(), BoxCompositionRotateYBuilder::buildSample(), BoxCompositionRotateZBuilder::buildSample(), BoxCompositionRotateZandYBuilder::buildSample(), BoxStackCompositionBuilder::buildSample(), CoreShellBoxRotateZandYBuilder::buildSample(), CustomMorphologyBuilder::buildSample(), LayersWithAbsorptionBuilder::buildSample(), LayersWithAbsorptionBySLDBuilder::buildSample(), SlicedCompositionBuilder::buildSample(), TransformBoxBuilder::buildSample(), MesoCrystal::clone(), Particle::clone(), clone(), and ParticleCoreShell::clone().

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setPosition() [2/2]

void IParticle::setPosition ( double  x, double  y, double  z  )

inlineinherited

Sets relative position of the particle's reference point in the coordinate system of parent.

Parameters

x	x-coordinate in nanometers
y	y-coordinate in nanometers
z	z-coordinate in nanometers

Definition at line 57 of file IParticle.h.

{ m_position = kvector_t(x, y, z); }

References IParticle::m_position.

translate()

void IParticle::translate ( kvector_t  translation )

finaloverridevirtualinherited

Translates the particle.

Implements IAbstractParticle.

Definition at line 34 of file IParticle.cpp.

{
    m_position += translation;
}

References IParticle::m_position.

Referenced by addParticle(), and SlicedFormFactorList::addParticle().

rotation()

const IRotation * IParticle::rotation ( ) const

inherited

Returns rotation object.

Definition at line 39 of file IParticle.cpp.

{
    return mP_rotation.get();
}

References IParticle::mP_rotation.

Referenced by decompose(), Particle::Particle(), IParticle::rotate(), IParticle::setRotation(), and SampleToPython::setRotationInformation().

setRotation()

void IParticle::setRotation ( const IRotation &  rotation )

inherited

Sets transformation.

Definition at line 44 of file IParticle.cpp.

{
    mP_rotation.reset(rotation.clone());
    registerChild(mP_rotation.get());
}

References IRotation::clone(), IParticle::mP_rotation, INode::registerChild(), and IParticle::rotation().

Referenced by BoxCompositionRotateXBuilder::buildSample(), BoxCompositionRotateYBuilder::buildSample(), BoxCompositionRotateZBuilder::buildSample(), BoxCompositionRotateZandYBuilder::buildSample(), BoxStackCompositionBuilder::buildSample(), CoreShellBoxRotateZandYBuilder::buildSample(), LayersWithAbsorptionBuilder::buildSample(), LayersWithAbsorptionBySLDBuilder::buildSample(), RotatedPyramidsDistributionBuilder::buildSample(), SlicedCompositionBuilder::buildSample(), TransformBoxBuilder::buildSample(), MesoCrystal::clone(), Particle::clone(), clone(), ParticleCoreShell::clone(), and Particle::Particle().

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rotate()

void IParticle::rotate ( const IRotation &  rotation )

finaloverridevirtualinherited

Rotates the particle.

Implements IAbstractParticle.

Definition at line 50 of file IParticle.cpp.

{
    if (mP_rotation) {
        mP_rotation.reset(createProduct(rotation, *mP_rotation));
    } else {
        mP_rotation.reset(rotation.clone());
    }
    m_position = rotation.transformed(m_position);
    registerChild(mP_rotation.get());
}

References IRotation::clone(), createProduct(), IParticle::m_position, IParticle::mP_rotation, INode::registerChild(), IParticle::rotation(), and IRotation::transformed().

Referenced by BoxCompositionRotateZandYBuilder::buildSample(), CoreShellBoxRotateZandYBuilder::buildSample(), LayersWithAbsorptionBuilder::buildSample(), LayersWithAbsorptionBySLDBuilder::buildSample(), and TransformBoxBuilder::buildSample().

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registerAbundance()

void IParticle::registerAbundance ( bool  make_registered = true )

inherited

Definition at line 66 of file IParticle.cpp.

{
    if (make_registered) {
        if (!parameter("Abundance"))
            registerParameter("Abundance", &m_abundance);
    } else {
        removeParameter("Abundance");
    }
}

References IAbstractParticle::m_abundance, IParameterized::parameter(), IParameterized::registerParameter(), and IParameterized::removeParameter().

Referenced by addParticlePointer(), and IParticle::registerParticleProperties().

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registerPosition()

void IParticle::registerPosition ( bool  make_registered = true )

inherited

Registers the three components of its position.

Definition at line 76 of file IParticle.cpp.

{
    if (make_registered) {
        if (!parameter(XComponentName("Position"))) {
            registerVector("Position", &m_position, "nm");
        }
    } else {
        removeVector("Position");
    }
}

References IParticle::m_position, IParameterized::parameter(), IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::XComponentName().

Referenced by IParticle::registerParticleProperties().

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createComposedRotation()

IRotation * IParticle::createComposedRotation ( const IRotation *  p_rotation ) const

protectedinherited

Creates a composed IRotation object.

Definition at line 101 of file IParticle.cpp.

{
    if (p_rotation) {
        if (mP_rotation)
            return createProduct(*p_rotation, *mP_rotation);
        else
            return p_rotation->clone();
    } else {
        if (mP_rotation)
            return mP_rotation->clone();
        else
            return nullptr;
    }
}

References IRotation::clone(), createProduct(), and IParticle::mP_rotation.

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composedTranslation()

kvector_t IParticle::composedTranslation ( const IRotation *  p_rotation, kvector_t  translation  ) const

protectedinherited

Gets a composed translation vector.

Definition at line 116 of file IParticle.cpp.

{
    if (p_rotation) {
        return translation + p_rotation->transformed(m_position);
    } else {
        return translation + m_position;
    }
}

References IParticle::m_position, and IRotation::transformed().

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registerParticleProperties()

void IParticle::registerParticleProperties ( )

protectedinherited

Registers abundance and position.

Definition at line 125 of file IParticle.cpp.

{
    registerAbundance();
    registerPosition();
}

References IParticle::registerAbundance(), and IParticle::registerPosition().

Referenced by MesoCrystal::initialize(), Particle::initialize(), initialize(), and ParticleCoreShell::ParticleCoreShell().

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abundance()

double IAbstractParticle::abundance ( ) const

inlineinherited

Definition at line 39 of file IAbstractParticle.h.

{ return m_abundance; }

References IAbstractParticle::m_abundance.

Referenced by ParticleDistribution::generateParticles(), ProcessedLayout::ProcessParticle(), and IAbstractParticle::setAbundance().

setAbundance()

void IAbstractParticle::setAbundance ( double  abundance )

inlineinherited

Sets particle abundance.

Parameters

abundance

proportion of this type of particles normalized to the total number of particles in the layout.

Definition at line 44 of file IAbstractParticle.h.

{ m_abundance = abundance; }

References IAbstractParticle::abundance(), and IAbstractParticle::m_abundance.

Referenced by ParticleLayout::addParticle(), MesoCrystal::clone(), Particle::clone(), clone(), ParticleCoreShell::clone(), ParticleDistribution::clone(), and ParticleDistribution::generateParticles().

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material()

virtual const Material* ISample::material ( ) const

inlinevirtualinherited

Returns nullptr, unless overwritten to return a specific material.

Reimplemented in Particle, and Layer.

Definition at line 37 of file ISample.h.

{ return nullptr; }

Referenced by ISample::containedMaterials(), FormFactorCrystal::setAmbientMaterial(), FormFactorBAPol::setAmbientMaterial(), FormFactorDecoratorMaterial::setAmbientMaterial(), FormFactorDWBA::setAmbientMaterial(), FormFactorDWBAPol::setAmbientMaterial(), IFormFactorDecorator::setAmbientMaterial(), FormFactorCoreShell::setAmbientMaterial(), FormFactorWeighted::setAmbientMaterial(), and FormFactorDecoratorMaterial::setMaterial().

containedMaterials()

std::vector< const Material * > ISample::containedMaterials ( ) const

inherited

Returns set of unique materials contained in this ISample.

Definition at line 23 of file ISample.cpp.

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

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

Referenced by MultiLayerUtils::ContainsCompatibleMaterials(), anonymous_namespace{ProcessedSample.cpp}::ContainsMagneticMaterial(), and SampleToPython::initLabels().

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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 53 of file INode.cpp.

{
    return NodeUtils::nodeToString(*this);
}

References NodeUtils::nodeToString().

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registerChild()

void INode::registerChild ( INode *  node )

inherited

Definition at line 58 of file INode.cpp.

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

References ASSERT, and INode::setParent().

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

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setParent()

void INode::setParent ( const INode *  newParent )

virtualinherited

Reimplemented in SampleProvider.

Definition at line 69 of file INode.cpp.

{
    m_parent = newParent;
}

References INode::m_parent.

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

parent() [1/2]

const INode * INode::parent ( ) const

inherited

Definition at line 74 of file INode.cpp.

{
    return m_parent;
}

References INode::m_parent.

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

parent() [2/2]

INode * INode::parent ( )

inherited

Definition at line 79 of file INode.cpp.

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

References INode::m_parent.

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 84 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(), IParameterized::getName(), and INode::parent().

Referenced by INode::displayName().

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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 105 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(), IParameterized::getName(), and INode::m_parent.

Referenced by NodeUtils::nodePath(), and anonymous_namespace{NodeUtils.cpp}::nodeString().

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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 IParameterized.

Definition at line 116 of file INode.cpp.

{
    std::unique_ptr<ParameterPool> result(new ParameterPool);
 
    NodeIterator<PreorderStrategy> it(this);
    it.first();
    while (!it.isDone()) {
        const INode* child = it.getCurrent();
        const std::string path = NodeUtils::nodePath(*child, this->parent()) + "/";
        child->parameterPool()->copyToExternalPool(path, result.get());
        it.next();
    }
 
    return result.release();
}

References ParameterPool::copyToExternalPool(), NodeIterator< Strategy >::first(), NodeIterator< Strategy >::getCurrent(), NodeIterator< Strategy >::isDone(), NodeIterator< Strategy >::next(), NodeUtils::nodePath(), IParameterized::parameterPool(), and INode::parent().

Referenced by ParticleDistribution::generateParticles(), Simulation::runSimulation(), DepthProbeSimulation::validateParametrization(), OffSpecSimulation::validateParametrization(), and SpecularSimulation::validateParametrization().

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parameterPool()

ParameterPool* IParameterized::parameterPool ( ) const

inlineinherited

Returns pointer to the parameter pool.

Definition at line 38 of file IParameterized.h.

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

References IParameterized::m_pool.

Referenced by pyfmt2::argumentList(), SampleBuilderNode::borrow_builder_parameters(), INode::createParameterTree(), INode::INode(), IParameterized::IParameterized(), anonymous_namespace{NodeUtils.cpp}::poolToString(), SampleBuilderNode::reset(), and IDistribution1D::setUnits().

parametersToString()

std::string IParameterized::parametersToString ( ) const

inherited

Returns multiline string representing available parameters.

Definition at line 40 of file IParameterized.cpp.

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

References IParameterized::createParameterTree().

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registerParameter()

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

inherited

Definition at line 48 of file IParameterized.cpp.

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

References IParameterized::getName(), IParameterized::m_pool, and IParameterized::onChange().

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

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registerVector()

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

inherited

Definition at line 54 of file IParameterized.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 IParameterized::registerParameter(), RealParameter::setUnit(), IParameterized::XComponentName(), IParameterized::YComponentName(), and IParameterized::ZComponentName().

Referenced by Beam::Beam(), DetectionProperties::DetectionProperties(), InterferenceFunctionTwin::InterferenceFunctionTwin(), MultiLayer::MultiLayer(), Lattice::registerBasisVectors(), and IParticle::registerPosition().

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setParameterValue()

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

inherited

Definition at line 62 of file IParameterized.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 IParameterized::createParameterTree(), IParameterized::m_pool, and ParameterPool::setMatchedParametersValue().

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

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setVectorValue()

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

inherited

Definition at line 75 of file IParameterized.cpp.

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

References IParameterized::setParameterValue(), BasicVector3D< T >::x(), IParameterized::XComponentName(), BasicVector3D< T >::y(), IParameterized::YComponentName(), BasicVector3D< T >::z(), and IParameterized::ZComponentName().

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parameter()

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

inherited

Returns parameter with given 'name'.

Definition at line 83 of file IParameterized.cpp.

{
    return m_pool->parameter(name);
}

References IParameterized::m_pool.

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

onChange()

virtual void IParameterized::onChange ( )

inlinevirtualinherited

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

Reimplemented in IProfileRipple, 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, InterferenceFunction3DLattice, InterferenceFunction2DLattice, Lattice, and Lattice2D.

Definition at line 58 of file IParameterized.h.

{}

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

removeParameter()

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

inherited

Definition at line 88 of file IParameterized.cpp.

{
    m_pool->removeParameter(name);
}

References IParameterized::m_pool.

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

removeVector()

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

inherited

Definition at line 93 of file IParameterized.cpp.

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

References IParameterized::removeParameter(), IParameterized::XComponentName(), IParameterized::YComponentName(), and IParameterized::ZComponentName().

Referenced by IParticle::registerPosition().

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XComponentName()

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

staticinherited

Definition at line 100 of file IParameterized.cpp.

{
    return base_name + "X";
}

Referenced by Lattice::registerBasisVectors(), IParticle::registerPosition(), IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::setVectorValue().

YComponentName()

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

staticinherited

Definition at line 105 of file IParameterized.cpp.

{
    return base_name + "Y";
}

Referenced by IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::setVectorValue().

ZComponentName()

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

staticinherited

Definition at line 110 of file IParameterized.cpp.

{
    return base_name + "Z";
}

Referenced by IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::setVectorValue().

setName()

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

inlineinherited

Definition at line 68 of file IParameterized.h.

{ m_name = name; }

References IParameterized::m_name.

Referenced by BasicLattice::BasicLattice(), Beam::Beam(), Layer::clone(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), LayersWithAbsorptionBuilder::createSampleByIndex(), Basic2DParaCrystalBuilder::createSampleByIndex(), ParticleInVacuumBuilder::createSampleByIndex(), SimpleMagneticRotationBuilder::createSampleByIndex(), Crystal::Crystal(), DetectionProperties::DetectionProperties(), DistributionHandler::DistributionHandler(), FormFactorBAPol::FormFactorBAPol(), FormFactorCoreShell::FormFactorCoreShell(), FormFactorCrystal::FormFactorCrystal(), FormFactorDecoratorMaterial::FormFactorDecoratorMaterial(), FormFactorDecoratorPositionFactor::FormFactorDecoratorPositionFactor(), FormFactorDecoratorRotation::FormFactorDecoratorRotation(), FormFactorDWBA::FormFactorDWBA(), FormFactorDWBAPol::FormFactorDWBAPol(), FormFactorWeighted::FormFactorWeighted(), HexagonalLattice::HexagonalLattice(), IDetector::IDetector(), DepthProbeSimulation::initialize(), GISASSimulation::initialize(), OffSpecSimulation::initialize(), SpecularSimulation::initialize(), SpecularDetector1D::initialize(), MesoCrystal::initialize(), Particle::initialize(), initialize(), 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(), Lattice::Lattice(), Layer::Layer(), LayerInterface::LayerInterface(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), Beam::operator=(), SampleBuilderNode::operator=(), ParticleCoreShell::ParticleCoreShell(), ParticleDistribution::ParticleDistribution(), ParticleLayout::ParticleLayout(), RectangularDetector::RectangularDetector(), SampleBuilderNode::reset(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), SampleBuilderNode::SampleBuilderNode(), SampleBuilderNode::setSBN(), SphericalDetector::SphericalDetector(), and SquareLattice::SquareLattice().

getName()

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

inlineinherited

Definition at line 69 of file IParameterized.h.

{ return m_name; }

References IParameterized::m_name.

Referenced by Beam::Beam(), Layer::clone(), IFormFactorBorn::computeSlicingEffects(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), INode::copyNumber(), IParameterized::createParameterTree(), IFormFactor::createSlicedFormFactor(), SampleToPython::defineFormFactors(), SampleToPython::defineInterferenceFunctions(), INode::displayName(), IDetector::IDetector(), Instrument::Instrument(), IParameterized::IParameterized(), Beam::operator=(), SampleBuilderNode::operator=(), anonymous_namespace{ParticleLayout.cpp}::particleDensityIsProvidedByInterference(), IParameterized::registerParameter(), SampleBuilderNode::SampleBuilderNode(), and IFormFactor::sliceFormFactor().

Member Data Documentation

m_particles

std::vector<std::unique_ptr<IParticle> > ParticleComposition::m_particles

private

Definition at line 56 of file ParticleComposition.h.

Referenced by addParticlePointer(), check_index(), clone(), createFormFactor(), decompose(), getChildren(), and nbrParticles().

m_position

kvector_t IParticle::m_position

protectedinherited

Definition at line 94 of file IParticle.h.

Referenced by MesoCrystal::clone(), Particle::clone(), clone(), ParticleCoreShell::clone(), IParticle::composedTranslation(), MesoCrystal::createSlicedParticle(), Particle::createSlicedParticle(), ParticleCoreShell::createSlicedParticle(), IParticle::position(), IParticle::registerPosition(), IParticle::rotate(), IParticle::setPosition(), and IParticle::translate().

mP_rotation

std::unique_ptr<IRotation> IParticle::mP_rotation

protectedinherited

Definition at line 95 of file IParticle.h.

Referenced by MesoCrystal::clone(), Particle::clone(), clone(), ParticleCoreShell::clone(), IParticle::createComposedRotation(), MesoCrystal::createSlicedParticle(), Particle::createSlicedParticle(), ParticleCoreShell::createSlicedParticle(), IParticle::getChildren(), IParticle::rotate(), IParticle::rotation(), and IParticle::setRotation().

m_abundance

double IAbstractParticle::m_abundance {1.0}

protectedinherited

Definition at line 53 of file IAbstractParticle.h.

Referenced by IAbstractParticle::abundance(), MesoCrystal::clone(), Particle::clone(), clone(), ParticleCoreShell::clone(), ParticleDistribution::clone(), ParticleDistribution::ParticleDistribution(), IParticle::registerAbundance(), and IAbstractParticle::setAbundance().

m_parent

const INode* INode::m_parent {nullptr}

privateinherited

Definition at line 81 of file INode.h.

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

m_NP

const size_t INode::m_NP

protectedinherited

Definition at line 86 of file INode.h.

Referenced by INode::INode().

m_P

std::vector<double> INode::m_P

protectedinherited

Definition at line 87 of file INode.h.

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

m_name

std::string IParameterized::m_name

privateinherited

Definition at line 72 of file IParameterized.h.

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

m_pool

std::unique_ptr<ParameterPool> IParameterized::m_pool

privateinherited

parameter pool (kind of pointer-to-implementation)

Definition at line 73 of file IParameterized.h.

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

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

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