Lattice3D Class Reference

A Bravais lattice, characterized by three basis vectors, and optionally an ISelectionRule. More...

Inheritance diagram for Lattice3D:

Collaboration diagram for Lattice3D:

Public Member Functions
	Lattice3D ()=delete
	Lattice3D (const kvector_t a, const kvector_t b, const kvector_t c)
	Lattice3D (const Lattice3D &lattice)
	~Lattice3D () override
void	accept (INodeVisitor *visitor) const override
	Calls the INodeVisitor's visit method. 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...
kvector_t	getBasisVectorA () const
	Returns basis vector a. More...
kvector_t	getBasisVectorB () const
	Returns basis vector b. More...
kvector_t	getBasisVectorC () const
	Returns basis vector c. More...
virtual std::vector< const INode * >	getChildren () const
	Returns a vector of children. More...
kvector_t	getMillerDirection (double h, double k, double l) const
	Returns normalized direction corresponding to the given Miller indices. More...
const std::string &	getName () const
ivector_t	getNearestReciprocalLatticeVectorCoordinates (const kvector_t q) const
	Returns the nearest reciprocal lattice point from a given vector. More...
void	getReciprocalLatticeBasis (kvector_t &ra, kvector_t &rb, kvector_t &rc) const
	Returns the reciprocal basis vectors. More...
void	initialize ()
	Initializes cached data. More...
Lattice3D &	operator= (const Lattice3D &)=delete
RealParameter *	parameter (const std::string &name) const
	Returns parameter with given 'name'. More...
ParameterPool *	parameterPool () const
	Returns pointer to the parameter pool. More...
std::string	parametersToString () const
	Returns multiline string representing available parameters. More...
INode *	parent ()
const INode *	parent () const
std::vector< const INode * >	progeny () const
	Returns a vector of all descendants. More...
std::vector< kvector_t >	reciprocalLatticeVectorsWithinRadius (const kvector_t q, double dq) const
	Returns a list of reciprocal lattice vectors within distance dq of a vector q. 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	setName (const std::string &name)
void	setParameterValue (const std::string &name, double value)
virtual void	setParent (const INode *newParent)
void	setSelectionRule (const ISelectionRule &selection_rule)
	Sets a selection rule for the reciprocal vectors. More...
void	setVectorValue (const std::string &base_name, kvector_t value)
Lattice3D	transformed (const Transform3D &transform) const
	Creates transformed lattice. More...
virtual std::string	treeToString () const
	Returns multiline string representing tree structure below the node. More...
double	unitCellVolume () const
	Returns the volume of the unit cell. 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 Attributes
const size_t	m_NP
std::vector< double >	m_P

Private Member Functions
void	computeReciprocalVectors () const
void	onChange () override
	Action to be taken in inherited class when a parameter has changed. More...

Private Attributes
kvector_t	m_a
kvector_t	m_b
kvector_t	m_c
	Basis vectors in real space. More...
std::string	m_name
const INode *	m_parent {nullptr}
std::unique_ptr< ParameterPool >	m_pool
	parameter pool (kind of pointer-to-implementation) More...
kvector_t	m_ra
kvector_t	m_rb
kvector_t	m_rc
	Cache of basis vectors in reciprocal space. More...
std::unique_ptr< ISelectionRule >	m_selection_rule

Detailed Description

A Bravais lattice, characterized by three basis vectors, and optionally an ISelectionRule.

Definition at line 29 of file Lattice3D.h.

Constructor & Destructor Documentation

Lattice3D() [1/3]

Lattice3D::Lattice3D ( )

delete

Lattice3D() [2/3]

Lattice3D::Lattice3D	(	const kvector_t	a,
		const kvector_t	b,
		const kvector_t	c
	)

Definition at line 22 of file Lattice3D.cpp.

    : m_a(a), m_b(b), m_c(c)
{
    setName("Lattice");
    initialize();
}

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

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Lattice3D() [3/3]

Lattice3D::Lattice3D

(

const Lattice3D &

lattice

)

Definition at line 29 of file Lattice3D.cpp.

    : INode(), m_a(lattice.m_a), m_b(lattice.m_b), m_c(lattice.m_c)
{
    setName("Lattice");
    initialize();
    if (lattice.m_selection_rule)
        setSelectionRule(*lattice.m_selection_rule);
}

References initialize(), m_selection_rule, IParametricComponent::setName(), and setSelectionRule().

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~Lattice3D()

Lattice3D::~Lattice3D ( )

overridedefault

Member Function Documentation

accept()

void Lattice3D::accept ( INodeVisitor *  visitor ) const

inlineoverridevirtual

Calls the INodeVisitor's visit method.

Implements INode.

Definition at line 37 of file Lattice3D.h.

{ visitor->visit(this); }

References INodeVisitor::visit().

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computeReciprocalVectors()

void Lattice3D::computeReciprocalVectors ( ) const

private

Definition at line 118 of file Lattice3D.cpp.

{
    kvector_t q23 = m_b.cross(m_c);
    kvector_t q31 = m_c.cross(m_a);
    kvector_t q12 = m_a.cross(m_b);
    m_ra = M_TWOPI / m_a.dot(q23) * q23;
    m_rb = M_TWOPI / m_b.dot(q31) * q31;
    m_rc = M_TWOPI / m_c.dot(q12) * q12;
}

References BasicVector3D< T >::cross(), BasicVector3D< T >::dot(), m_a, m_b, m_c, m_ra, m_rb, m_rc, and M_TWOPI.

Referenced by initialize(), and onChange().

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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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getBasisVectorA()

kvector_t Lattice3D::getBasisVectorA ( ) const

inline

Returns basis vector a.

Definition at line 46 of file Lattice3D.h.

{ return m_a; }

References m_a.

Referenced by FormFactorCrystal::calculateLargestReciprocalDistance(), InterferenceFunction3DLattice::initRecRadius(), and GUIDomainSampleVisitor::visit().

getBasisVectorB()

kvector_t Lattice3D::getBasisVectorB ( ) const

inline

Returns basis vector b.

Definition at line 49 of file Lattice3D.h.

{ return m_b; }

References m_b.

Referenced by FormFactorCrystal::calculateLargestReciprocalDistance(), and InterferenceFunction3DLattice::initRecRadius().

getBasisVectorC()

kvector_t Lattice3D::getBasisVectorC ( ) const

inline

Returns basis vector c.

Definition at line 52 of file Lattice3D.h.

{ return m_c; }

References m_c.

Referenced by FormFactorCrystal::calculateLargestReciprocalDistance(), and InterferenceFunction3DLattice::initRecRadius().

getChildren()

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

virtualinherited

Returns a vector of children.

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

Definition at line 63 of file INode.cpp.

{
    return {};
}

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

getMillerDirection()

kvector_t Lattice3D::getMillerDirection	(	double	h,
		double	k,
		double	l
	)		const

Returns normalized direction corresponding to the given Miller indices.

Currently unused but may be useful for checks.

Definition at line 67 of file Lattice3D.cpp.

{
    kvector_t direction = h * m_ra + k * m_rb + l * m_rc;
    return direction.unit();
}

References m_ra, m_rb, m_rc, and BasicVector3D< T >::unit().

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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().

getNearestReciprocalLatticeVectorCoordinates()

ivector_t Lattice3D::getNearestReciprocalLatticeVectorCoordinates

(

const kvector_t

q

)

const

Returns the nearest reciprocal lattice point from a given vector.

Definition at line 86 of file Lattice3D.cpp.

{
    return {(int)std::lround(q.dot(m_a) / M_TWOPI), (int)std::lround(q.dot(m_b) / M_TWOPI),
            (int)std::lround(q.dot(m_c) / M_TWOPI)};
}

References BasicVector3D< T >::dot(), m_a, m_b, m_c, and M_TWOPI.

Referenced by reciprocalLatticeVectorsWithinRadius().

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getReciprocalLatticeBasis()

void Lattice3D::getReciprocalLatticeBasis	(	kvector_t &	ra,
		kvector_t &	rb,
		kvector_t &	rc
	)		const

Returns the reciprocal basis vectors.

Currently only used in tests.

Definition at line 79 of file Lattice3D.cpp.

{
    ra = m_ra;
    rb = m_rb;
    rc = m_rc;
}

References m_ra, m_rb, and m_rc.

initialize()

void Lattice3D::initialize

(

)

Initializes cached data.

Definition at line 40 of file Lattice3D.cpp.

{
    computeReciprocalVectors();
    if (!parameter(XComponentName("BasisA"))) {
        registerVector("BasisA", &m_a, "nm");
        registerVector("BasisB", &m_b, "nm");
        registerVector("BasisC", &m_c, "nm");
    }
}

References computeReciprocalVectors(), m_a, m_b, m_c, IParametricComponent::parameter(), IParametricComponent::registerVector(), and IParametricComponent::XComponentName().

Referenced by Lattice3D().

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onChange()

void Lattice3D::onChange ( )

overrideprivatevirtual

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

Reimplemented from IParametricComponent.

Definition at line 50 of file Lattice3D.cpp.

{
    computeReciprocalVectors();
}

References computeReciprocalVectors().

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operator=()

Lattice3D& Lattice3D::operator= ( const Lattice3D &  )

delete

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(), initialize(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), IParticle::registerPosition(), Layer::registerThickness(), Lattice2D::setRotationEnabled(), and DistributionLogNormal::setUnits().

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parameterPool()

ParameterPool* IParametricComponent::parameterPool ( ) const

inlineinherited

Returns pointer to the parameter pool.

Definition at line 39 of file IParametricComponent.h.

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

References IParametricComponent::m_pool.

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

parametersToString()

std::string IParametricComponent::parametersToString ( ) const

inherited

Returns multiline string representing available parameters.

Definition at line 43 of file IParametricComponent.cpp.

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

References IParametricComponent::createParameterTree().

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parent() [1/2]

INode * INode::parent ( )

inherited

Definition at line 89 of file INode.cpp.

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

References INode::m_parent.

parent() [2/2]

const INode * INode::parent ( ) const

inherited

Definition at line 84 of file INode.cpp.

{
    return m_parent;
}

References INode::m_parent.

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

progeny()

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

inherited

Returns a vector of all descendants.

Definition at line 68 of file INode.cpp.

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

References INode::getChildren().

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

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reciprocalLatticeVectorsWithinRadius()

std::vector< kvector_t > Lattice3D::reciprocalLatticeVectorsWithinRadius	(	const kvector_t	q,
		double	dq
	)		const

Returns a list of reciprocal lattice vectors within distance dq of a vector q.

Definition at line 92 of file Lattice3D.cpp.

{
    ivector_t nearest_coords = getNearestReciprocalLatticeVectorCoordinates(q);
 
    int max_X = std::lround(m_a.mag() * dq / M_TWOPI);
    int max_Y = std::lround(m_b.mag() * dq / M_TWOPI);
    int max_Z = std::lround(m_c.mag() * dq / M_TWOPI);
 
    std::vector<kvector_t> ret;
    for (int index_X = -max_X; index_X <= max_X; ++index_X) {
        for (int index_Y = -max_Y; index_Y <= max_Y; ++index_Y) {
            for (int index_Z = -max_Z; index_Z <= max_Z; ++index_Z) {
                ivector_t coords(index_X + nearest_coords[0], index_Y + nearest_coords[1],
                                 index_Z + nearest_coords[2]);
                if (m_selection_rule && !m_selection_rule->coordinateSelected(coords))
                    continue;
                kvector_t latticePoint = coords[0] * m_ra + coords[1] * m_rb + coords[2] * m_rc;
                if ((latticePoint - q).mag() <= dq)
                    ret.push_back(latticePoint);
            }
        }
    }
    return ret;
}

References getNearestReciprocalLatticeVectorCoordinates(), m_a, m_b, m_c, m_ra, m_rb, m_rc, m_selection_rule, M_TWOPI, and BasicVector3D< T >::mag().

Referenced by FormFactorCrystal::evaluate(), FormFactorCrystal::evaluatePol(), and InterferenceFunction3DLattice::iff_without_dw().

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registerChild()

void INode::registerChild ( INode *  node )

inherited

Definition at line 57 of file INode.cpp.

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

References ASSERT, and INode::setParent().

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

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registerParameter()

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

inherited

Definition at line 51 of file IParametricComponent.cpp.

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

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

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

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registerVector()

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

inherited

Definition at line 57 of file IParametricComponent.cpp.

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

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

Referenced by Beam::Beam(), DetectionProperties::DetectionProperties(), InterferenceFunctionTwin::InterferenceFunctionTwin(), MultiLayer::MultiLayer(), 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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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::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice(), InterferenceFunction3DLattice::InterferenceFunction3DLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionNone::InterferenceFunctionNone(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), ISampleBuilder::ISampleBuilder(), IsGISAXSDetector::IsGISAXSDetector(), 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().

setSelectionRule()

void Lattice3D::setSelectionRule

(

const ISelectionRule &

selection_rule

)

Sets a selection rule for the reciprocal vectors.

Definition at line 128 of file Lattice3D.cpp.

{
    m_selection_rule.reset(selection_rule.clone());
}

References ISelectionRule::clone(), and m_selection_rule.

Referenced by Lattice3D(), and transformed().

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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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transformed()

Lattice3D Lattice3D::transformed

(

const Transform3D &

transform

)

const

Creates transformed lattice.

Definition at line 55 of file Lattice3D.cpp.

{
    kvector_t q1 = transform.transformed(m_a);
    kvector_t q2 = transform.transformed(m_b);
    kvector_t q3 = transform.transformed(m_c);
    Lattice3D result = {q1, q2, q3};
    if (m_selection_rule)
        result.setSelectionRule(*m_selection_rule);
    return result;
}

References m_a, m_b, m_c, m_selection_rule, setSelectionRule(), and Transform3D::transformed().

Referenced by Crystal::transformedLattice().

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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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unitCellVolume()

double Lattice3D::unitCellVolume

(

)

const

Returns the volume of the unit cell.

Definition at line 73 of file Lattice3D.cpp.

{
    return std::abs(m_a.dot(m_b.cross(m_c)));
}

References BasicVector3D< T >::cross(), BasicVector3D< T >::dot(), m_a, m_b, and m_c.

Referenced by MesoCrystalItem::createMesoCrystal(), FormFactorCrystal::evaluate(), FormFactorCrystal::evaluatePol(), and Crystal::homogeneousRegions().

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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 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_a

kvector_t Lattice3D::m_a

private

Definition at line 77 of file Lattice3D.h.

Referenced by computeReciprocalVectors(), getBasisVectorA(), getNearestReciprocalLatticeVectorCoordinates(), initialize(), reciprocalLatticeVectorsWithinRadius(), transformed(), and unitCellVolume().

m_b

kvector_t Lattice3D::m_b

private

Definition at line 77 of file Lattice3D.h.

Referenced by computeReciprocalVectors(), getBasisVectorB(), getNearestReciprocalLatticeVectorCoordinates(), initialize(), reciprocalLatticeVectorsWithinRadius(), transformed(), and unitCellVolume().

m_c

kvector_t Lattice3D::m_c

private

Basis vectors in real space.

Definition at line 77 of file Lattice3D.h.

Referenced by computeReciprocalVectors(), getBasisVectorC(), getNearestReciprocalLatticeVectorCoordinates(), initialize(), reciprocalLatticeVectorsWithinRadius(), transformed(), and unitCellVolume().

m_name

std::string IParametricComponent::m_name

privateinherited

Definition at line 73 of file IParametricComponent.h.

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

m_NP

const size_t INode::m_NP

protectedinherited

Definition at line 88 of file INode.h.

Referenced by INode::INode().

m_P

std::vector<double> INode::m_P

protectedinherited

Definition at line 89 of file INode.h.

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

m_parent

const INode* INode::m_parent {nullptr}

privateinherited

Definition at line 83 of file INode.h.

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

m_pool

std::unique_ptr<ParameterPool> IParametricComponent::m_pool

privateinherited

parameter pool (kind of pointer-to-implementation)

Definition at line 74 of file IParametricComponent.h.

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

m_ra

kvector_t Lattice3D::m_ra

mutableprivate

Definition at line 80 of file Lattice3D.h.

Referenced by computeReciprocalVectors(), getMillerDirection(), getReciprocalLatticeBasis(), and reciprocalLatticeVectorsWithinRadius().

m_rb

kvector_t Lattice3D::m_rb

private

Definition at line 80 of file Lattice3D.h.

Referenced by computeReciprocalVectors(), getMillerDirection(), getReciprocalLatticeBasis(), and reciprocalLatticeVectorsWithinRadius().

m_rc

kvector_t Lattice3D::m_rc

private

Cache of basis vectors in reciprocal space.

Definition at line 80 of file Lattice3D.h.

Referenced by computeReciprocalVectors(), getMillerDirection(), getReciprocalLatticeBasis(), and reciprocalLatticeVectorsWithinRadius().

m_selection_rule

std::unique_ptr<ISelectionRule> Lattice3D::m_selection_rule

private

Definition at line 78 of file Lattice3D.h.

Referenced by Lattice3D(), reciprocalLatticeVectorsWithinRadius(), setSelectionRule(), and transformed().

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

• /home/www/ba/Sample/Lattice/Lattice3D.h
• /home/www/ba/Sample/Lattice/Lattice3D.cpp