Description

A composition of particles at fixed positions.

Definition at line 24 of file ParticleComposition.h.

Inheritance diagram for ParticleComposition:

Collaboration diagram for ParticleComposition:

Public Member Functions
	ParticleComposition ()

	~ParticleComposition () override

double	abundance () const

void	addParticle (const IParticle &particle)

void	addParticle (const IParticle &particle, R3 position)

void	addParticles (const IParticle &particle, std::vector< R3 > positions)

void	checkNodeArgs () const
	Raises exception if a parameter value is invalid. More...

std::string	className () const final
	Returns the class name, to be hard-coded in each leaf class that inherits from INode. More...

ParticleComposition *	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...

std::vector< std::unique_ptr< IParticle > >	decompose () const override
	Decompose in constituent IParticle objects. More...

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...

size_t	nbrParticles () const
	Returns number of different particles. More...

std::vector< const INode * >	nodeChildren () const override
	Returns all children. More...

std::vector< const INode * >	nodeOffspring () const
	Returns all descendants. More...

virtual std::vector< ParaMeta >	parDefs () const
	Returns the parameter definitions, to be hard-coded in each leaf class. More...

R3	particlePosition () const
	Returns particle position. More...

std::vector< const IParticle * >	particles () const

IParticle *	rotate (const IRotation &rotation)
	Rotates the particle, and returns this. More...

const IRotation *	rotation () const
	Returns rotation object. More...

void	setAbundance (double abundance)
	Sets particle abundance. More...

void	setParticlePosition (double x, double y, double z)
	Sets relative position of the particle's reference point in the coordinate system of parent. More...

void	setParticlePosition (R3 position)
	Sets relative position of the particle's reference point in the coordinate system of parent. More...

void	setRotation (const IRotation &rotation)
	Sets transformation. More...

virtual void	transferToCPP ()
	Used for Python overriding of clone (see swig/tweaks.py) More...

IParticle *	translate (R3 translation)
	Translates the particle, and returns this. More...

Protected Attributes
double	m_abundance {1.0}

std::vector< double >	m_P

R3	m_position

std::unique_ptr< IRotation >	m_rotation

Private Attributes
OwningVector< IParticle >	m_particles

Constructor & Destructor Documentation

◆ ParticleComposition()

ParticleComposition::ParticleComposition ( )

Definition at line 19 of file ParticleComposition.cpp.

19 {}

Referenced by clone().

◆ ~ParticleComposition()

ParticleComposition::~ParticleComposition ( )

overridedefault

Member Function Documentation

◆ abundance()

double IParticle::abundance ( ) const

inlineinherited

Definition at line 38 of file IParticle.h.

38 { return m_abundance; }

IParticle::m_abundance

double m_abundance

Definition: IParticle.h:78

References IParticle::m_abundance.

Referenced by SampleToPython::defineParticleLayouts(), and IParticle::setAbundance().

◆ addParticle() [1/2]

void ParticleComposition::addParticle ( const IParticle & particle )

Definition at line 63 of file ParticleComposition.cpp.

 {
     m_particles.emplace_back(particle.clone());
 }

References IParticle::clone(), OwningVector< T >::emplace_back(), and m_particles.

Referenced by addParticles(), ExemplarySamples::createBoxCompositionRotateX(), ExemplarySamples::createBoxCompositionRotateY(), ExemplarySamples::createBoxCompositionRotateZ(), ExemplarySamples::createBoxCompositionRotateZandY(), ExemplarySamples::createBoxStackComposition(), and ExemplarySamples::createSlicedComposition().

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◆ addParticle() [2/2]

void ParticleComposition::addParticle	(	const IParticle &	particle,
		R3	position
	)

Definition at line 68 of file ParticleComposition.cpp.

 {
     m_particles.emplace_back(particle.clone()->translate(position));
 }

References IParticle::clone(), OwningVector< T >::emplace_back(), m_particles, and IParticle::translate().

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◆ addParticles()

void ParticleComposition::addParticles	(	const IParticle &	particle,
		std::vector< R3 >	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 ExemplarySamples::createCenteredSquareLattice2D(), and ExemplarySamples::createParticleComposition().

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◆ checkNodeArgs()

void INode::checkNodeArgs ( ) const

inherited

Raises exception if a parameter value is invalid.

Definition at line 27 of file INode.cpp.

 {
     size_t nP = m_P.size();
     if (parDefs().size() != nP) {
         std::cerr << "BUG in class " << className() << std::endl;
         std::cerr << "#m_P = " << nP << std::endl;
         std::cerr << "#PDf = " << parDefs().size() << std::endl;
         for (const ParaMeta& pm : parDefs())
             std::cerr << "  PDf: " << pm.name << std::endl;
         ASSERT(0);
     }
     ASSERT(parDefs().size() == nP);
     for (size_t i = 0; i < nP; ++i) {
         const ParaMeta pm = parDefs()[i];
  
         RealLimits limits = RealLimits::limitless();
         if (pm.vMin == -INF) {
             ASSERT(pm.vMax == +INF);
             // nothing to do
         } else if (pm.vMax == +INF) {
             ASSERT(pm.vMin == 0);
             limits = RealLimits::nonnegative();
         } else {
             limits = RealLimits::limited(pm.vMin, pm.vMax);
         }
         limits.check(pm.name, m_P[i]);
     }
 }

References ASSERT, RealLimits::check(), INode::className(), INF, RealLimits::limited(), RealLimits::limitless(), INode::m_P, ParaMeta::name, RealLimits::nonnegative(), INode::parDefs(), ParaMeta::vMax, and ParaMeta::vMin.

Referenced by BarGauss::BarGauss(), BarLorentz::BarLorentz(), Bipyramid4::Bipyramid4(), Box::Box(), CantellatedCube::CantellatedCube(), Cone::Cone(), ConstantBackground::ConstantBackground(), CosineRippleBox::CosineRippleBox(), CosineRippleGauss::CosineRippleGauss(), CosineRippleLorentz::CosineRippleLorentz(), Cylinder::Cylinder(), DistributionCosine::DistributionCosine(), DistributionGate::DistributionGate(), DistributionGaussian::DistributionGaussian(), DistributionLogNormal::DistributionLogNormal(), DistributionLorentz::DistributionLorentz(), DistributionTrapezoid::DistributionTrapezoid(), Dodecahedron::Dodecahedron(), EllipsoidalCylinder::EllipsoidalCylinder(), FootprintGauss::FootprintGauss(), FootprintSquare::FootprintSquare(), FuzzySphere::FuzzySphere(), GaussSphere::GaussSphere(), HemiEllipsoid::HemiEllipsoid(), HollowSphere::HollowSphere(), HorizontalCylinder::HorizontalCylinder(), Icosahedron::Icosahedron(), LongBoxGauss::LongBoxGauss(), LongBoxLorentz::LongBoxLorentz(), PlatonicOctahedron::PlatonicOctahedron(), PlatonicTetrahedron::PlatonicTetrahedron(), Prism3::Prism3(), Prism6::Prism6(), Profile1DCauchy::Profile1DCauchy(), Profile1DCosine::Profile1DCosine(), Profile1DGate::Profile1DGate(), Profile1DGauss::Profile1DGauss(), Profile1DTriangle::Profile1DTriangle(), Profile1DVoigt::Profile1DVoigt(), Profile2DCauchy::Profile2DCauchy(), Profile2DCone::Profile2DCone(), Profile2DGate::Profile2DGate(), Profile2DGauss::Profile2DGauss(), Profile2DVoigt::Profile2DVoigt(), Pyramid2::Pyramid2(), Pyramid3::Pyramid3(), Pyramid4::Pyramid4(), Pyramid6::Pyramid6(), RotationEuler::RotationEuler(), RotationX::RotationX(), RotationY::RotationY(), RotationZ::RotationZ(), SawtoothRippleBox::SawtoothRippleBox(), SawtoothRippleGauss::SawtoothRippleGauss(), SawtoothRippleLorentz::SawtoothRippleLorentz(), Sphere::Sphere(), Spheroid::Spheroid(), TruncatedCube::TruncatedCube(), TruncatedSphere::TruncatedSphere(), and TruncatedSpheroid::TruncatedSpheroid().

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◆ className()

std::string ParticleComposition::className ( ) const

inlinefinalvirtual

Returns the class name, to be hard-coded in each leaf class that inherits from INode.

Implements INode.

Definition at line 31 of file ParticleComposition.h.

31 { return "ParticleComposition"; }

◆ clone()

ParticleComposition * ParticleComposition::clone ( ) const

overridevirtual

Returns a clone of this ISampleNode object.

Implements IParticle.

Definition at line 23 of file ParticleComposition.cpp.

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

References ParticleComposition(), IParticle::m_abundance, m_particles, IParticle::m_position, IParticle::m_rotation, and OwningVector< T >::size().

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◆ containedMaterials()

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

inherited

Returns set of unique materials contained in this ISampleNode.

Definition at line 25 of file ISampleNode.cpp.

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

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

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

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◆ decompose()

std::vector< std::unique_ptr< IParticle > > ParticleComposition::decompose ( ) const

overridevirtual

Decompose in constituent IParticle objects.

Reimplemented from IParticle.

Definition at line 44 of file ParticleComposition.cpp.

 {
     std::vector<std::unique_ptr<IParticle>> result;
     const auto* rot = rotation();
     const auto& translation = particlePosition();
     for (const auto& particle : m_particles) {
         const auto sublist = particle->decompose();
         for (const auto& subparticle : sublist) {
             IParticle* new_subparticle = subparticle->clone();
             if (rot)
                 new_subparticle->rotate(*rot);
             new_subparticle->translate(translation);
             result.emplace_back(new_subparticle);
         }
     }
     return result;
 }

References IParticle::clone(), m_particles, IParticle::particlePosition(), IParticle::rotate(), IParticle::rotation(), and IParticle::translate().

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◆ isMagnetic()

bool ISampleNode::isMagnetic ( ) const

inherited

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

Definition at line 39 of file ISampleNode.cpp.

 {
     const auto materials = containedMaterials();
     return std::any_of(materials.cbegin(), materials.cend(),
                        [](const Material* mat) { return mat->isMagneticMaterial(); });
 }

References ISampleNode::containedMaterials().

Referenced by reSample::make().

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◆ material()

virtual const Material* ISampleNode::material ( ) const

inlinevirtualinherited

Returns nullptr, unless overwritten to return a specific material.

Reimplemented in Particle, and Layer.

Definition at line 36 of file ISampleNode.h.

36 { return nullptr; }

Referenced by ISampleNode::containedMaterials().

◆ nbrParticles()

size_t ParticleComposition::nbrParticles ( ) const

inline

Returns number of different particles.

Definition at line 43 of file ParticleComposition.h.

43 { return m_particles.size(); }

References m_particles, and OwningVector< T >::size().

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◆ nodeChildren()

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

overridevirtual

Returns all children.

Reimplemented from IParticle.

Definition at line 35 of file ParticleComposition.cpp.

 {
     std::vector<const INode*> result = IParticle::nodeChildren();
     for (const IParticle* p : m_particles)
         result.emplace_back(p);
     return result;
 }

References m_particles, and IParticle::nodeChildren().

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◆ nodeOffspring()

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

inherited

Returns all descendants.

Definition at line 61 of file INode.cpp.

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

References INode::nodeChildren().

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◆ parDefs()

virtual std::vector<ParaMeta> INode::parDefs ( ) const

inlinevirtualinherited

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

Reimplemented in ConstantBackground, GaussSphere, FuzzySphere, RotationEuler, RotationZ, RotationY, RotationX, Crystal, Layer, HexagonalLattice2D, SquareLattice2D, BasicLattice2D, LayerRoughness, TruncatedSpheroid, TruncatedSphere, TruncatedCube, Spheroid, Sphere, SawtoothRippleLorentz, SawtoothRippleGauss, SawtoothRippleBox, Pyramid6, Pyramid4, Pyramid3, Pyramid2, Prism6, Prism3, PlatonicTetrahedron, PlatonicOctahedron, LongBoxLorentz, LongBoxGauss, Icosahedron, HorizontalCylinder, HollowSphere, HemiEllipsoid, EllipsoidalCylinder, Dodecahedron, Cylinder, CosineRippleLorentz, CosineRippleGauss, CosineRippleBox, Cone, CantellatedCube, Box, Bipyramid4, BarLorentz, BarGauss, Profile2DVoigt, Profile2DCone, Profile2DGate, Profile2DGauss, Profile2DCauchy, Profile1DVoigt, Profile1DCosine, Profile1DTriangle, Profile1DGate, Profile1DGauss, Profile1DCauchy, MisesGaussPeakShape, MisesFisherGaussPeakShape, LorentzFisherPeakShape, GaussFisherPeakShape, IsotropicLorentzPeakShape, IsotropicGaussPeakShape, ParticleLayout, InterferenceTwin, InterferenceRadialParaCrystal, InterferenceHardDisk, Interference2DSuperLattice, Interference2DParaCrystal, Interference1DLattice, DistributionTrapezoid, DistributionCosine, DistributionLogNormal, DistributionGaussian, DistributionLorentz, DistributionGate, ResolutionFunction2DGaussian, PolFilter, FootprintSquare, and FootprintGauss.

Definition at line 51 of file INode.h.

51 { return {}; }

Referenced by INode::checkNodeArgs(), and IFormFactor::pythonConstructor().

◆ particlePosition()

R3 IParticle::particlePosition ( ) const

inlineinherited

Returns particle position.

Definition at line 46 of file IParticle.h.

46 { return m_position; }

References IParticle::m_position.

Referenced by decompose().

◆ particles()

std::vector< const IParticle * > ParticleComposition::particles ( ) const

Definition at line 81 of file ParticleComposition.cpp.

 {
     std::vector<const IParticle*> result;
     for (const IParticle* p : m_particles)
         result.emplace_back(p);
     return result;
 }

References m_particles.

◆ rotate()

IParticle * IParticle::rotate ( const IRotation & rotation )

inherited

Rotates the particle, and returns this.

Definition at line 41 of file IParticle.cpp.

 {
     if (m_rotation)
         m_rotation.reset(createProduct(rotation, *m_rotation));
     else
         m_rotation.reset(rotation.clone());
     m_position = rotation.transformed(m_position);
     return this;
 }

References IRotation::clone(), createProduct(), IParticle::m_position, IParticle::m_rotation, IParticle::rotation(), and IRotation::transformed().

Referenced by ExemplarySamples::createBoxCompositionRotateZandY(), ExemplarySamples::createCoreShellBoxRotateZandY(), ExemplarySamples::createLayersWithAbsorptionBySLD(), ExemplarySamples::createLayersWithAbsorptionWithFF(), ExemplarySamples::createMagneticRotation(), ExemplarySamples::createRotatedPyramids(), ExemplarySamples::createTransformBox(), and decompose().

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◆ rotation()

const IRotation * IParticle::rotation ( ) const

inherited

Returns rotation object.

Definition at line 31 of file IParticle.cpp.

 {
     return m_rotation.get();
 }

References IParticle::m_rotation.

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

◆ setAbundance()

void IParticle::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 43 of file IParticle.h.

43 { m_abundance = abundance; }

IParticle::abundance

double abundance() const

Definition: IParticle.h:38

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

Referenced by ParticleLayout::addParticle().

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◆ setParticlePosition() [1/2]

void IParticle::setParticlePosition	(	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 58 of file IParticle.h.

58 { m_position = R3(x, y, z); }

References IParticle::m_position.

◆ setParticlePosition() [2/2]

void IParticle::setParticlePosition ( R3 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 51 of file IParticle.h.

51 { m_position = position; }

References IParticle::m_position.

◆ setRotation()

void IParticle::setRotation ( const IRotation & rotation )

inherited

Sets transformation.

Definition at line 36 of file IParticle.cpp.

 {
     m_rotation.reset(rotation.clone());
 }

References IRotation::clone(), IParticle::m_rotation, and IParticle::rotation().

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◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )

inlinevirtualinherited

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

Definition at line 32 of file ICloneable.h.

◆ translate()

IParticle * IParticle::translate ( R3 translation )

inherited

Translates the particle, and returns this.

Definition at line 25 of file IParticle.cpp.

 {
     m_position += translation;
     return this;
 }

References IParticle::m_position.

Referenced by addParticle(), ExemplarySamples::createMagneticRotation(), ExemplarySamples::createMagneticSpheres(), ExemplarySamples::createMagneticSubstrateZeroField(), ExemplarySamples::createSuperLattice(), and decompose().

Member Data Documentation

◆ m_abundance

double IParticle::m_abundance {1.0}

protectedinherited

Definition at line 78 of file IParticle.h.

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

◆ m_P

std::vector<double> INode::m_P

protectedinherited

Definition at line 63 of file INode.h.

Referenced by IFootprintFactor::IFootprintFactor(), INode::checkNodeArgs(), IProfile1D::pythonConstructor(), IProfile2D::pythonConstructor(), IFormFactor::pythonConstructor(), Profile1DVoigt::pythonConstructor(), and Profile2DVoigt::pythonConstructor().

◆ m_particles

OwningVector<IParticle> ParticleComposition::m_particles

private

Definition at line 48 of file ParticleComposition.h.

Referenced by addParticle(), clone(), decompose(), nbrParticles(), nodeChildren(), and particles().

◆ m_position

R3 IParticle::m_position

protectedinherited

Definition at line 79 of file IParticle.h.

Referenced by MesoCrystal::clone(), Particle::clone(), clone(), ParticleCoreShell::clone(), IParticle::particlePosition(), IParticle::rotate(), IParticle::setParticlePosition(), and IParticle::translate().

◆ m_rotation

std::unique_ptr<IRotation> IParticle::m_rotation

protectedinherited

Definition at line 80 of file IParticle.h.

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

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

/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Particle/ParticleComposition.h
/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Particle/ParticleComposition.cpp

Description

Public Member Functions

Protected Attributes

Private Attributes

Constructor & Destructor Documentation

◆ ParticleComposition()

◆ ~ParticleComposition()

Member Function Documentation

◆ abundance()

◆ addParticle() [1/2]

◆ addParticle() [2/2]

◆ addParticles()

◆ checkNodeArgs()

◆ className()

◆ clone()

◆ containedMaterials()

◆ decompose()

◆ isMagnetic()

◆ material()

◆ nbrParticles()

◆ nodeChildren()

◆ nodeOffspring()

◆ parDefs()

◆ particlePosition()

◆ particles()

◆ rotate()

◆ rotation()

◆ setAbundance()

◆ setParticlePosition() [1/2]

◆ setParticlePosition() [2/2]

◆ setRotation()

◆ transferToCPP()

◆ translate()

Member Data Documentation

◆ m_abundance

◆ m_P

◆ m_particles

◆ m_position

◆ m_rotation