Description

Off-specular scattering simulation.

Holds an instrument and sample model. Computes reflected and scattered intensity as function of incident and final glancing angle.

Definition at line 30 of file OffspecSimulation.h.

Inheritance diagram for OffspecSimulation:

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Collaboration diagram for OffspecSimulation:

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Public Member Functions
	OffspecSimulation (const Beam &beam, const MultiLayer &sample, const IDetector &detector)

	OffspecSimulation (const MultiLayer &sample)

	~OffspecSimulation () override=default

void	addMask (const IShape2D &shape, bool mask_value=true)
	Adds mask of given shape to the stack of detector masks. The mask value 'true' means that the channel will be excluded from the simulation. The mask which is added last has priority. More...

void	addParameterDistribution (const ParameterDistribution &par_distr)

void	addParameterDistribution (ParameterDistribution::WhichParameter whichParameter, const IDistribution1D &distribution, size_t nbr_samples, double sigma_factor=0.0, const RealLimits &limits=RealLimits())

const IBackground *	background () const

Beam &	beam ()

const Beam &	beam () const

const IAxis *	beamAxis () const
	Returns axis of the beam. More...

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...

ICoordSystem *	createCoordSystem () const override

IDetector &	detector ()

const IDetector &	detector () const

bool	force_polarized () const override
	Force polarized computation even in absence of sample magnetization or external fields. More...

const IDetector *	getDetector () const

const std::vector< ParameterDistribution > &	getDistributions () const

size_t	intensityMapSize () const override
	Returns the total number of the intensity values in the simulation result. More...

void	maskAll ()
	Put the mask for all detector channels (i.e. exclude whole detector from the analysis) More...

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

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

SimulationOptions &	options ()

const SimulationOptions &	options () const

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

const MultiLayer *	sample () const

void	setBackground (const IBackground &bg)

void	setBeamParameters (double wavelength, const IAxis &alpha_axis, double phi_i)
	Sets beam parameters from here (forwarded to Instrument) More...

void	setRegionOfInterest (double xlow, double ylow, double xup, double yup)
	Sets rectangular region of interest with lower left and upper right corners defined. More...

void	setTerminalProgressMonitor ()
	Initializes a progress monitor that prints to stdout. More...

SimulationResult	simulate ()
	Run a simulation, and return the result. More...

void	subscribe (const std::function< bool(size_t)> &inform)

std::string	unitOfParameter (ParameterDistribution::WhichParameter which) const

Protected Member Functions
void	addBackgroundIntensity (size_t start_ind, size_t n_elements) override

void	addDataToCache (double weight) override

std::unique_ptr< IComputation >	createComputation (const reSample &re_sample, size_t start, size_t n_elements) override
	Generate a single threaded computation for a given range of simulation elements. More...

std::vector< std::unique_ptr< DiffuseElement > >	generateElements (const Beam &beam)
	Generate simulation elements for given beam. More...

virtual void	initCoordSystem ()

void	initDistributionHandler () override
	init callbacks for setting the parameter values More...

void	moveDataFromCache () override

void	normalize (size_t start_ind, size_t n_elements) override
	Normalize the detector counts to beam intensity, to solid angle, and to exposure angle. More...

ProgressHandler &	progress ()

Protected Attributes
std::unique_ptr< Beam >	m_beam

std::vector< double >	m_cache

std::unique_ptr< IDetector >	m_detector

DistributionHandler	m_distribution_handler

std::vector< std::unique_ptr< DiffuseElement > >	m_eles

std::vector< double >	m_P

Private Member Functions
void	checkInitialization () const
	Check correct number of axes. More...

void	initElementVector () override
	Initializes the vector of ISimulation elements. More...

size_t	numberOfElements () const override
	Gets the number of elements this simulation needs to calculate. More...

SimulationResult	pack_result () override
	Sets m_result. More...

void	prepareSimulation () override
	Put into a clean state for running a simulation. More...

void	runSingleSimulation (const reSample &re_sample, size_t batch_start, size_t batch_size, double weight=1.0)
	Runs a single simulation with fixed parameter values. If desired, the simulation is run in several threads. More...

void	transferDetectorImage (size_t index)
	Normalize, apply detector resolution and transfer detector image corresponding to alpha_i = m_alpha_i_axis->bin(index) More...

void	updateIntensityMap () override
	Default implementation only adds the detector axes. More...

void	validateParametrization (const ParameterDistribution &par_distr) const override
	Checks the distribution validity for simulation. More...

Private Attributes
std::unique_ptr< IAxis >	m_alpha_i_axis

std::shared_ptr< IBackground >	m_background

std::unique_ptr< DetectorContext >	m_detector_context

std::unique_ptr< Datafield >	m_intensity_map

std::shared_ptr< SimulationOptions >	m_options

std::shared_ptr< ProgressHandler >	m_progress

std::shared_ptr< MultiLayer >	m_sample

Constructor & Destructor Documentation

◆ OffspecSimulation() [1/2]

OffspecSimulation::OffspecSimulation	(	const Beam &	beam,
		const MultiLayer &	sample,
		const IDetector &	detector
	)

Definition at line 29 of file OffspecSimulation.cpp.

     : ISimulation2D(beam, sample, detector)
 {
 }

◆ OffspecSimulation() [2/2]

OffspecSimulation::OffspecSimulation ( const MultiLayer & sample )

Definition at line 35 of file OffspecSimulation.cpp.

     : ISimulation2D(sample)
 {
 }

◆ ~OffspecSimulation()

OffspecSimulation::~OffspecSimulation ( )

overridedefault

Member Function Documentation

◆ addBackgroundIntensity()

void ISimulation2D::addBackgroundIntensity	(	size_t	start_ind,
		size_t	n_elements
	)

overrideprotectedvirtualinherited

Implements ISimulation.

Definition at line 124 of file ISimulation2D.cpp.

 {
     if (!background())
         return;
     for (size_t i = start_ind, stop_point = start_ind + n_elements; i < stop_point; ++i) {
         DiffuseElement& element = *m_eles[i];
         element.setIntensity(background()->addBackground(element.intensity()));
     }
 }

References ISimulation::background(), DiffuseElement::intensity(), ISimulation2D::m_eles, and DiffuseElement::setIntensity().

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◆ addDataToCache()

void ISimulation2D::addDataToCache ( double weight )

overrideprotectedvirtualinherited

Implements ISimulation.

Definition at line 134 of file ISimulation2D.cpp.

 {
     if (m_eles.size() != m_cache.size())
         throw std::runtime_error("Error in ISimulation2D::addDataToCache(double): cache size"
                                  " not the same as element size");
     for (unsigned i = 0; i < m_eles.size(); i++)
         m_cache[i] += m_eles[i]->intensity() * weight;
 }

References ISimulation2D::m_cache, and ISimulation2D::m_eles.

◆ addMask()

void ISimulation2D::addMask	(	const IShape2D &	shape,
		bool	mask_value = `true`
	)

inherited

Adds mask of given shape to the stack of detector masks. The mask value 'true' means that the channel will be excluded from the simulation. The mask which is added last has priority.

Parameters

shape	The shape of mask (Rectangle, Polygon, Line, Ellipse)
mask_value	The value of mask

Definition at line 56 of file ISimulation2D.cpp.

 {
     detector().addMask(shape, mask_value);
 }

References IDetector::addMask(), and ISimulation2D::detector().

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◆ addParameterDistribution() [1/2]

void ISimulation::addParameterDistribution ( const ParameterDistribution & par_distr )

inherited

Definition at line 231 of file ISimulation.cpp.

 {
     validateParametrization(par_distr);
     m_distribution_handler.addParameterDistribution(par_distr);
 }

References DistributionHandler::addParameterDistribution(), ISimulation::m_distribution_handler, and ISimulation::validateParametrization().

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◆ addParameterDistribution() [2/2]

void ISimulation::addParameterDistribution	(	ParameterDistribution::WhichParameter	whichParameter,
		const IDistribution1D &	distribution,
		size_t	nbr_samples,
		double	sigma_factor = `0.0`,
		const RealLimits &	limits = `RealLimits()`
	)

inherited

Definition at line 222 of file ISimulation.cpp.

 {
     ParameterDistribution par_distr(whichParameter, distribution, nbr_samples, sigma_factor,
                                     limits);
     addParameterDistribution(par_distr);
 }

◆ background()

const IBackground* ISimulation::background ( ) const

inlineinherited

Definition at line 76 of file ISimulation.h.

76 { return m_background.get(); }

ISimulation::m_background

std::shared_ptr< IBackground > m_background

Definition: ISimulation.h:137

References ISimulation::m_background.

Referenced by DepthProbeSimulation::addBackgroundIntensity(), ISimulation2D::addBackgroundIntensity(), and SpecularSimulation::addBackgroundIntensity().

◆ beam() [1/2]

Beam& ISimulation2D::beam ( )

inlineinherited

Definition at line 57 of file ISimulation2D.h.

57 { return *m_beam; }

ISimulation2D::m_beam

std::unique_ptr< Beam > m_beam

Definition: ISimulation2D.h:98

References ISimulation2D::m_beam.

Referenced by DepthProbeSimulation::DepthProbeSimulation(), DepthProbeSimulation::createCoordSystem(), createCoordSystem(), ScatteringSimulation::createCoordSystem(), DepthProbeSimulation::generateElements(), ISimulation2D::generateElements(), ISimulation2D::initDistributionHandler(), DepthProbeSimulation::initElementVector(), initElementVector(), ScatteringSimulation::initElementVector(), DepthProbeSimulation::normalize(), ISimulation2D::normalize(), DepthProbeSimulation::setBeamParameters(), and setBeamParameters().

◆ beam() [2/2]

const Beam& ISimulation2D::beam ( ) const

inlineinherited

Definition at line 62 of file ISimulation2D.h.

62 { return *m_beam; }

References ISimulation2D::m_beam.

◆ beamAxis()

const IAxis * OffspecSimulation::beamAxis ( ) const

Returns axis of the beam.

Definition at line 78 of file OffspecSimulation.cpp.

 {
     return m_alpha_i_axis.get();
 }

References m_alpha_i_axis.

Referenced by createCoordSystem().

◆ checkInitialization()

void OffspecSimulation::checkInitialization ( ) const

private

Check correct number of axes.

Definition at line 155 of file OffspecSimulation.cpp.

 {
     ASSERT(m_alpha_i_axis);
     ASSERT(m_alpha_i_axis->size() >= 1);
     ASSERT(detector().rank() == 2);
 }

References ASSERT, ISimulation2D::detector(), and m_alpha_i_axis.

Referenced by intensityMapSize(), numberOfElements(), pack_result(), and prepareSimulation().

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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 OffspecSimulation::className ( ) const

inlinefinalvirtual

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

Implements INode.

Definition at line 36 of file OffspecSimulation.h.

36 { return "OffspecSimulation"; }

◆ createComputation()

std::unique_ptr< IComputation > ISimulation2D::createComputation	(	const reSample &	re_sample,
		size_t	start,
		size_t	n_elements
	)

overrideprotectedvirtualinherited

Generate a single threaded computation for a given range of simulation elements.

Parameters

re_sample	Preprocessed version of our sample
start	Index of the first element to include into computation
n_elements	Number of elements to process

Implements ISimulation.

Definition at line 78 of file ISimulation2D.cpp.

 {
     ASSERT(start < m_eles.size() && start + n_elements <= m_eles.size());
     const auto& begin = m_eles.begin() + static_cast<long>(start);
     return std::make_unique<DWBAComputation>(re_sample, options(), progress(), begin,
                                              begin + static_cast<long>(n_elements));
 }

References ASSERT, ISimulation2D::m_eles, ISimulation::options(), and ISimulation::progress().

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◆ createCoordSystem()

ICoordSystem * OffspecSimulation::createCoordSystem ( ) const

overridevirtual

Implements ISimulation.

Definition at line 84 of file OffspecSimulation.cpp.

 {
     ASSERT(beamAxis());
     return detector().offspecCoords(beamAxis()->clone(), beam().direction());
 }

References ASSERT, ISimulation2D::beam(), beamAxis(), ISimulation2D::detector(), and IDetector::offspecCoords().

Referenced by pack_result().

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◆ detector() [1/2]

IDetector& ISimulation2D::detector ( )

inlineinherited

Definition at line 58 of file ISimulation2D.h.

58 { return *m_detector; }

ISimulation2D::m_detector

std::unique_ptr< IDetector > m_detector

Definition: ISimulation2D.h:99

References ISimulation2D::m_detector.

Referenced by ISimulation2D::addMask(), checkInitialization(), createCoordSystem(), ISimulation2D::force_polarized(), ISimulation2D::generateElements(), intensityMapSize(), ScatteringSimulation::intensityMapSize(), ISimulation2D::maskAll(), pack_result(), ScatteringSimulation::pack_result(), ISimulation2D::prepareSimulation(), ScatteringSimulation::prepareSimulation(), ISimulation2D::setRegionOfInterest(), transferDetectorImage(), and updateIntensityMap().

◆ detector() [2/2]

const IDetector& ISimulation2D::detector ( ) const

inlineinherited

Definition at line 63 of file ISimulation2D.h.

63 { return *m_detector; }

References ISimulation2D::m_detector.

◆ force_polarized()

bool ISimulation2D::force_polarized ( ) const

overridevirtualinherited

Force polarized computation even in absence of sample magnetization or external fields.

Implements ISimulation.

Definition at line 153 of file ISimulation2D.cpp.

 {
     return detector().analyzer().analyzerDirection() != R3{};
 }

References IDetector::analyzer(), PolFilter::analyzerDirection(), and ISimulation2D::detector().

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◆ generateElements()

std::vector< std::unique_ptr< DiffuseElement > > ISimulation2D::generateElements ( const Beam & beam )

protectedinherited

Generate simulation elements for given beam.

Definition at line 87 of file ISimulation2D.cpp.

 {
     const double wavelength = beam.wavelength();
     const double alpha_i = -beam.direction().alpha(); // Defined to be always positive in Beam
     const double phi_i = beam.direction().phi();
     const SpinMatrix beam_polMatrices = beam.polMatrix();
  
     const SpinMatrix analyzer_operator = detector().analyzer().matrix();
     const size_t spec_index = detector().indexOfSpecular(beam);
  
     const size_t N = m_detector_context->numberOfElements();
  
     std::vector<std::unique_ptr<DiffuseElement>> result;
     result.reserve(N);
     for (size_t element_index = 0; element_index < N; ++element_index)
         result.emplace_back(std::make_unique<DiffuseElement>(
             wavelength, alpha_i, phi_i, m_detector_context->createPixel(element_index),
             beam_polMatrices, analyzer_operator,
             m_detector_context->detectorIndex(element_index) == spec_index));
     return result;
 }

References Direction::alpha(), IDetector::analyzer(), ISimulation2D::beam(), ISimulation2D::detector(), Beam::direction(), IDetector::indexOfSpecular(), ISimulation2D::m_detector_context, PolFilter::matrix(), N, Direction::phi(), Beam::polMatrix(), and Beam::wavelength().

Referenced by initElementVector(), and ScatteringSimulation::initElementVector().

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◆ getDetector()

const IDetector* ISimulation2D::getDetector ( ) const

inlineinherited

Definition at line 64 of file ISimulation2D.h.

64 { return m_detector.get(); }

References ISimulation2D::m_detector.

Referenced by ScatteringSimulation::createCoordSystem().

◆ getDistributions()

const std::vector< ParameterDistribution > & ISimulation::getDistributions ( ) const

inherited

Definition at line 237 of file ISimulation.cpp.

 {
     return m_distribution_handler.getDistributions();
 }

References DistributionHandler::getDistributions(), and ISimulation::m_distribution_handler.

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◆ initCoordSystem()

virtual void ISimulation2D::initCoordSystem ( )

inlineprotectedvirtualinherited

Definition at line 70 of file ISimulation2D.h.

70 {}

◆ initDistributionHandler()

void ISimulation2D::initDistributionHandler ( )

overrideprotectedvirtualinherited

init callbacks for setting the parameter values

Reimplemented from ISimulation.

Definition at line 159 of file ISimulation2D.cpp.

 {
     for (const auto& distribution : m_distribution_handler.getDistributions()) {
         const auto* dc = const_cast<ParameterDistribution*>(&distribution);
  
         switch (dc->whichParameter()) {
         case ParameterDistribution::BeamAzimuthalAngle:
             m_distribution_handler.defineCallbackForDistribution(
                 dc, [&](double d) { beam().setAzimuthalAngleGuarded(d); });
             break;
         case ParameterDistribution::BeamInclinationAngle:
             m_distribution_handler.defineCallbackForDistribution(
                 dc, [&](double d) { beam().setInclinationAngleGuarded(d); });
             break;
         case ParameterDistribution::BeamWavelength:
             m_distribution_handler.defineCallbackForDistribution(
                 dc, [&](double d) { beam().setWavelengthGuarded(d); });
             break;
         default:
             ASSERT(0);
         }
     }
 }

References ASSERT, ISimulation2D::beam(), ParameterDistribution::BeamAzimuthalAngle, ParameterDistribution::BeamInclinationAngle, ParameterDistribution::BeamWavelength, DistributionHandler::defineCallbackForDistribution(), DistributionHandler::getDistributions(), ISimulation::m_distribution_handler, Beam::setAzimuthalAngleGuarded(), Beam::setInclinationAngleGuarded(), and Beam::setWavelengthGuarded().

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◆ initElementVector()

void OffspecSimulation::initElementVector ( )

overrideprivatevirtual

Initializes the vector of ISimulation elements.

Implements ISimulation.

Definition at line 97 of file OffspecSimulation.cpp.

 {
     m_eles.clear();
     Beam beam2 = beam();
     for (size_t i = 0; i < m_alpha_i_axis->size(); ++i) {
         beam2.setInclination(m_alpha_i_axis->bin(i).center());
         std::vector<std::unique_ptr<DiffuseElement>> eles_i = generateElements(beam2);
         for (auto&& ele : eles_i)
             m_eles.emplace_back(std::move(ele));
     }
     if (m_cache.empty())
         m_cache.resize(m_eles.size(), 0.0);
 }

References ISimulation2D::beam(), ISimulation2D::generateElements(), m_alpha_i_axis, ISimulation2D::m_cache, ISimulation2D::m_eles, and Beam::setInclination().

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◆ intensityMapSize()

size_t OffspecSimulation::intensityMapSize ( ) const

overridevirtual

Returns the total number of the intensity values in the simulation result.

Implements ISimulation.

Definition at line 91 of file OffspecSimulation.cpp.

 {
     checkInitialization();
     return m_alpha_i_axis->size() * detector().axis(1).size();
 }

References IDetector::axis(), checkInitialization(), ISimulation2D::detector(), m_alpha_i_axis, and IAxis::size().

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◆ maskAll()

void ISimulation2D::maskAll ( )

inherited

Put the mask for all detector channels (i.e. exclude whole detector from the analysis)

Definition at line 61 of file ISimulation2D.cpp.

 {
     detector().maskAll();
 }

References ISimulation2D::detector(), and IDetector::maskAll().

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◆ moveDataFromCache()

void ISimulation2D::moveDataFromCache ( )

overrideprotectedvirtualinherited

Implements ISimulation.

Definition at line 143 of file ISimulation2D.cpp.

 {
     ASSERT(!m_cache.empty());
     if (!m_cache.empty()) {
         for (unsigned i = 0; i < m_eles.size(); i++)
             m_eles[i]->setIntensity(m_cache[i]);
         m_cache.clear();
     }
 }

References ASSERT, ISimulation2D::m_cache, and ISimulation2D::m_eles.

◆ nodeChildren()

std::vector< const INode * > ISimulation2D::nodeChildren ( ) const

overridevirtualinherited

Returns all children.

Reimplemented from ISimulation.

Definition at line 42 of file ISimulation2D.cpp.

 {
     std::vector<const INode*> result = ISimulation::nodeChildren();
     result.push_back(m_beam.get());
     if (m_detector)
         result.push_back(m_detector.get());
     return result;
 }

References ISimulation2D::m_beam, ISimulation2D::m_detector, and ISimulation::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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◆ normalize()

void ISimulation2D::normalize	(	size_t	start_ind,
		size_t	n_elements
	)

overrideprotectedvirtualinherited

Normalize the detector counts to beam intensity, to solid angle, and to exposure angle.

Parameters

start_ind	Index of the first element to operate on
n_elements	Number of elements to process

Implements ISimulation.

Definition at line 109 of file ISimulation2D.cpp.

 {
     const double beam_intensity = beam().intensity();
     for (size_t i = start_ind, stop_point = start_ind + n_elements; i < stop_point; ++i) {
         DiffuseElement& element = *m_eles[i];
         double sin_alpha_i = std::abs(std::sin(element.alphaI()));
         if (sin_alpha_i == 0.0) {
             element.setIntensity(0);
             continue;
         }
         const double solid_angle = element.solidAngle();
         element.setIntensity(element.intensity() * beam_intensity * solid_angle / sin_alpha_i);
     }
 }

References DiffuseElement::alphaI(), ISimulation2D::beam(), Beam::intensity(), DiffuseElement::intensity(), ISimulation2D::m_eles, DiffuseElement::setIntensity(), and DiffuseElement::solidAngle().

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◆ numberOfElements()

size_t OffspecSimulation::numberOfElements ( ) const

overrideprivatevirtual

Gets the number of elements this simulation needs to calculate.

Reimplemented from ISimulation2D.

Definition at line 46 of file OffspecSimulation.cpp.

 {
     checkInitialization();
     return ISimulation2D::numberOfElements() * m_alpha_i_axis->size();
 }

References checkInitialization(), m_alpha_i_axis, and ISimulation2D::numberOfElements().

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◆ options() [1/2]

SimulationOptions & ISimulation::options ( )

inherited

Definition at line 123 of file ISimulation.cpp.

 {
     ASSERT(m_options);
     return *m_options;
 }

References ASSERT, and ISimulation::m_options.

◆ options() [2/2]

const SimulationOptions & ISimulation::options ( ) const

inherited

Definition at line 117 of file ISimulation.cpp.

 {
     ASSERT(m_options);
     return *m_options;
 }

References ASSERT, and ISimulation::m_options.

Referenced by DepthProbeSimulation::createComputation(), ISimulation2D::createComputation(), SpecularSimulation::createComputation(), and ISimulation::simulate().

◆ pack_result()

SimulationResult OffspecSimulation::pack_result ( )

overrideprivatevirtual

Sets m_result.

Implements ISimulation.

Definition at line 52 of file OffspecSimulation.cpp.

 {
     checkInitialization();
     const IAxis& phi_axis = detector().axis(0);
     size_t phi_f_size = phi_axis.size();
     ASSERT(phi_f_size * m_intensity_map->size() == m_eles.size());
     for (size_t i = 0; i < m_alpha_i_axis->size(); ++i)
         transferDetectorImage(i);
  
     auto data = std::unique_ptr<Datafield>(m_intensity_map->clone());
     std::unique_ptr<ICoordSystem> coordsSystem(createCoordSystem());
     return {*data, *coordsSystem};
 }

References ASSERT, IDetector::axis(), checkInitialization(), createCoordSystem(), ISimulation2D::detector(), m_alpha_i_axis, ISimulation2D::m_eles, m_intensity_map, IAxis::size(), and transferDetectorImage().

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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().

◆ prepareSimulation()

void OffspecSimulation::prepareSimulation ( )

overrideprivatevirtual

Put into a clean state for running a simulation.

Reimplemented from ISimulation2D.

Definition at line 40 of file OffspecSimulation.cpp.

 {
     checkInitialization();
     ISimulation2D::prepareSimulation();
 }

References checkInitialization(), and ISimulation2D::prepareSimulation().

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◆ progress()

ProgressHandler & ISimulation::progress ( )

protectedinherited

Definition at line 129 of file ISimulation.cpp.

 {
     ASSERT(m_progress);
     return *m_progress;
 }

References ASSERT, and ISimulation::m_progress.

Referenced by DepthProbeSimulation::createComputation(), ISimulation2D::createComputation(), and SpecularSimulation::createComputation().

◆ runSingleSimulation()

void ISimulation::runSingleSimulation	(	const reSample &	re_sample,
		size_t	batch_start,
		size_t	batch_size,
		double	weight = `1.0`
	)

privateinherited

Runs a single simulation with fixed parameter values. If desired, the simulation is run in several threads.

Definition at line 245 of file ISimulation.cpp.

 {
     initElementVector();
  
     const size_t n_threads = m_options->getNumberOfThreads();
     ASSERT(n_threads > 0);
  
     std::vector<std::unique_ptr<IComputation>> computations;
  
     for (size_t i_thread = 0; i_thread < n_threads; ++i_thread) {
         const size_t thread_start = batch_start + startIndex(n_threads, i_thread, batch_size);
         const size_t thread_size = batchSize(n_threads, i_thread, batch_size);
         if (thread_size == 0)
             break;
         computations.emplace_back(createComputation(re_sample, thread_start, thread_size));
     }
     runComputations(computations);
  
     normalize(batch_start, batch_size);
     addBackgroundIntensity(batch_start, batch_size);
     addDataToCache(weight);
 }

References ISimulation::addBackgroundIntensity(), ISimulation::addDataToCache(), ASSERT, ISimulation::createComputation(), ISimulation::initElementVector(), ISimulation::m_options, and ISimulation::normalize().

Referenced by ISimulation::simulate().

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◆ sample()

const MultiLayer * ISimulation::sample ( ) const

inherited

Definition at line 191 of file ISimulation.cpp.

 {
     return m_sample.get();
 }

References ISimulation::m_sample.

Referenced by ISimulation::simulate(), and DepthProbeSimulation::validityCheck().

◆ setBackground()

void ISimulation::setBackground ( const IBackground & bg )

inherited

Definition at line 196 of file ISimulation.cpp.

 {
     m_background.reset(bg.clone());
 }

References IBackground::clone(), and ISimulation::m_background.

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◆ setBeamParameters()

void OffspecSimulation::setBeamParameters	(	double	wavelength,
		const IAxis &	alpha_axis,
		double	phi_i
	)

Sets beam parameters from here (forwarded to Instrument)

Definition at line 66 of file OffspecSimulation.cpp.

 {
     m_alpha_i_axis.reset(alpha_axis.clone());
     if (alpha_axis.size() < 1)
         throw std::runtime_error("OffspecSimulation::prepareSimulation() "
                                  "-> Error. Incoming alpha range size < 1.");
     const double alpha_zero = alpha_axis.min();
     beam().setWavelength(wavelength);
     beam().setDirection({alpha_zero, phi_i});
     updateIntensityMap();
 }

References ISimulation2D::beam(), IAxis::clone(), m_alpha_i_axis, IAxis::min(), Beam::setDirection(), Beam::setWavelength(), IAxis::size(), and updateIntensityMap().

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◆ setRegionOfInterest()

void ISimulation2D::setRegionOfInterest	(	double	xlow,
		double	ylow,
		double	xup,
		double	yup
	)

inherited

Sets rectangular region of interest with lower left and upper right corners defined.

Definition at line 66 of file ISimulation2D.cpp.

 {
     detector().setRegionOfInterest(xlow, ylow, xup, yup);
 }

References ISimulation2D::detector(), and IDetector::setRegionOfInterest().

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◆ setTerminalProgressMonitor()

void ISimulation::setTerminalProgressMonitor ( )

inherited

Initializes a progress monitor that prints to stdout.

Definition at line 142 of file ISimulation.cpp.

 {
     m_progress->subscribe([](size_t percentage_done) -> bool {
         if (percentage_done < 100)
             std::cout << std::setprecision(2) << "\r... " << percentage_done << "%" << std::flush;
         else // wipe out
             std::cout << "\r... 100%\n";
         return true;
     });
 }

References ISimulation::m_progress.

◆ simulate()

SimulationResult ISimulation::simulate ( )

inherited

Run a simulation, and return the result.

Runs simulation with possible averaging over parameter distributions; returns result.

Definition at line 154 of file ISimulation.cpp.

 {
     if (!SampleUtils::Multilayer::ContainsCompatibleMaterials(*m_sample))
         throw std::runtime_error("Sample contains incompatible material definitions");
     gsl_set_error_handler_off();
  
     prepareSimulation();
  
     const auto re_sample = reSample::make(*sample(), options(), force_polarized());
  
     const size_t total_size = numberOfElements();
     size_t param_combinations = m_distribution_handler.getTotalNumberOfSamples();
  
     m_progress->reset();
     m_progress->setExpectedNTicks(param_combinations * total_size);
  
     // restrict calculation to current batch
     const size_t n_batches = m_options->getNumberOfBatches();
     const size_t current_batch = m_options->getCurrentBatch();
  
     const size_t batch_start = startIndex(n_batches, current_batch, total_size);
     const size_t batch_size = batchSize(n_batches, current_batch, total_size);
     ASSERT(batch_size);
  
     if (param_combinations == 1)
         runSingleSimulation(re_sample, batch_start, batch_size, 1.);
     else {
         initDistributionHandler();
         for (size_t index = 0; index < param_combinations; ++index) {
             double weight = m_distribution_handler.setParameterValues(index);
             runSingleSimulation(re_sample, batch_start, batch_size, weight);
         }
     }
     moveDataFromCache();
     return pack_result();
 }

References ASSERT, SampleUtils::Multilayer::ContainsCompatibleMaterials(), ISimulation::force_polarized(), DistributionHandler::getTotalNumberOfSamples(), ISimulation::initDistributionHandler(), ISimulation::m_distribution_handler, ISimulation::m_options, ISimulation::m_progress, ISimulation::m_sample, reSample::make(), ISimulation::moveDataFromCache(), ISimulation::numberOfElements(), ISimulation::options(), ISimulation::pack_result(), ISimulation::prepareSimulation(), ISimulation::runSingleSimulation(), ISimulation::sample(), and DistributionHandler::setParameterValues().

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◆ subscribe()

void ISimulation::subscribe ( const std::function< bool(size_t)> & inform )

inherited

Definition at line 135 of file ISimulation.cpp.

 {
     ASSERT(m_progress);
     m_progress->subscribe(inform);
 }

References ASSERT, and ISimulation::m_progress.

◆ transferDetectorImage()

void OffspecSimulation::transferDetectorImage ( size_t index )

private

Normalize, apply detector resolution and transfer detector image corresponding to alpha_i = m_alpha_i_axis->bin(index)

Definition at line 135 of file OffspecSimulation.cpp.

 {
     std::unique_ptr<Datafield> detector_image;
     if (detector().rank() == 1)
         detector_image.reset(new Datafield({detector().axis(0).clone()}));
     else if (detector().rank() == 2)
         detector_image.reset(new Datafield(
                                  {detector().axis(0).clone(), detector().axis(1).clone()}));
     else
         ASSERT(0);
  
     size_t N = detector_image->size();
     for (size_t i = 0; i < N; ++i)
         (*detector_image)[i] = m_eles[index * N + i]->intensity();
     detector().applyDetectorResolution(detector_image.get());
     size_t y_axis_size = detector().axis(1).size();
     for (size_t i = 0; i < N; ++i)
         (*m_intensity_map)[index * y_axis_size + i % y_axis_size] += (*detector_image)[i];
 }

References IDetector::applyDetectorResolution(), ASSERT, IDetector::axis(), IAxis::clone(), ISimulation2D::detector(), ISimulation2D::m_eles, m_intensity_map, N, IDetector::rank(), and IAxis::size().

Referenced by pack_result().

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◆ unitOfParameter()

std::string ISimulation::unitOfParameter ( ParameterDistribution::WhichParameter which ) const

inherited

Definition at line 209 of file ISimulation.cpp.

 {
     switch (which) {
     case ParameterDistribution::BeamWavelength:
         return "nm";
     case ParameterDistribution::BeamAzimuthalAngle:
     case ParameterDistribution::BeamInclinationAngle:
         return "rad";
     default:
         throw std::runtime_error("ISimulation::unitOfParameter(): missing implementation");
     }
 }

References ParameterDistribution::BeamAzimuthalAngle, ParameterDistribution::BeamInclinationAngle, and ParameterDistribution::BeamWavelength.

◆ updateIntensityMap()

void OffspecSimulation::updateIntensityMap ( )

overrideprivatevirtual

Default implementation only adds the detector axes.

Reimplemented from ISimulation.

Definition at line 123 of file OffspecSimulation.cpp.

 {
     ASSERT(m_alpha_i_axis);
     if (detector().rank() == 1)
         m_intensity_map.reset(new Datafield({m_alpha_i_axis->clone()}));
     else if (detector().rank() == 2)
         m_intensity_map.reset(new Datafield({m_alpha_i_axis->clone(), detector().axis(1).clone()}));
     else
         ASSERT(0);
     m_intensity_map->setAllTo(0.);
 }

References ASSERT, ISimulation2D::detector(), m_alpha_i_axis, and m_intensity_map.

Referenced by setBeamParameters().

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◆ validateParametrization()

void OffspecSimulation::validateParametrization ( const ParameterDistribution & par_distr ) const

overrideprivatevirtual

Checks the distribution validity for simulation.

Reimplemented from ISimulation.

Definition at line 111 of file OffspecSimulation.cpp.

 {
     const bool zero_mean = par_distr.getDistribution()->mean() == 0.0;
     if (zero_mean)
         return;
     /* TODO come back to this after refactoring of distribution handling
     if (par_distr.whichParameter() == ParameterDistribution::BeamInclinationAngle)
         throw std::runtime_error("Error in OffspecSimulation: parameter distribution of "
                                  "beam inclination angle should have zero mean.");
     */
 }

References ParameterDistribution::getDistribution(), and IDistribution1D::mean().

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Member Data Documentation

◆ m_alpha_i_axis

std::unique_ptr<IAxis> OffspecSimulation::m_alpha_i_axis

private

Definition at line 75 of file OffspecSimulation.h.

Referenced by beamAxis(), checkInitialization(), initElementVector(), intensityMapSize(), numberOfElements(), pack_result(), setBeamParameters(), and updateIntensityMap().

◆ m_background

std::shared_ptr<IBackground> ISimulation::m_background

privateinherited

Definition at line 137 of file ISimulation.h.

Referenced by ISimulation::background(), and ISimulation::setBackground().

◆ m_beam

std::unique_ptr<Beam> ISimulation2D::m_beam

protectedinherited

Definition at line 98 of file ISimulation2D.h.

Referenced by ISimulation2D::ISimulation2D(), ISimulation2D::beam(), and ISimulation2D::nodeChildren().

◆ m_cache

std::vector<double> ISimulation2D::m_cache

protectedinherited

Definition at line 101 of file ISimulation2D.h.

Referenced by ISimulation2D::addDataToCache(), initElementVector(), ScatteringSimulation::initElementVector(), and ISimulation2D::moveDataFromCache().

◆ m_detector

std::unique_ptr<IDetector> ISimulation2D::m_detector

protectedinherited

Definition at line 99 of file ISimulation2D.h.

Referenced by ISimulation2D::ISimulation2D(), ISimulation2D::detector(), ISimulation2D::getDetector(), and ISimulation2D::nodeChildren().

◆ m_detector_context

std::unique_ptr<DetectorContext> ISimulation2D::m_detector_context

privateinherited

Definition at line 104 of file ISimulation2D.h.

Referenced by ISimulation2D::generateElements(), ISimulation2D::numberOfElements(), and ISimulation2D::prepareSimulation().

◆ m_distribution_handler

DistributionHandler ISimulation::m_distribution_handler

protectedinherited

Definition at line 104 of file ISimulation.h.

Referenced by ISimulation::addParameterDistribution(), ISimulation::getDistributions(), ISimulation2D::initDistributionHandler(), and ISimulation::simulate().

◆ m_eles

std::vector<std::unique_ptr<DiffuseElement> > ISimulation2D::m_eles

protectedinherited

Definition at line 100 of file ISimulation2D.h.

Referenced by ISimulation2D::addBackgroundIntensity(), ISimulation2D::addDataToCache(), ISimulation2D::createComputation(), initElementVector(), ScatteringSimulation::initElementVector(), ISimulation2D::moveDataFromCache(), ISimulation2D::normalize(), pack_result(), ScatteringSimulation::pack_result(), and transferDetectorImage().

◆ m_intensity_map

std::unique_ptr<Datafield> OffspecSimulation::m_intensity_map

private

Definition at line 76 of file OffspecSimulation.h.

Referenced by pack_result(), transferDetectorImage(), and updateIntensityMap().

◆ m_options

std::shared_ptr<SimulationOptions> ISimulation::m_options

privateinherited

Definition at line 135 of file ISimulation.h.

Referenced by ISimulation::options(), ISimulation::runSingleSimulation(), and ISimulation::simulate().

◆ 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_progress

std::shared_ptr<ProgressHandler> ISimulation::m_progress

privateinherited

Definition at line 136 of file ISimulation.h.

Referenced by ISimulation::progress(), ISimulation::setTerminalProgressMonitor(), ISimulation::simulate(), and ISimulation::subscribe().

◆ m_sample

std::shared_ptr<MultiLayer> ISimulation::m_sample

privateinherited

Definition at line 133 of file ISimulation.h.

Referenced by ISimulation::nodeChildren(), ISimulation::sample(), and ISimulation::simulate().

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

/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sim/Simulation/OffspecSimulation.h
/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sim/Simulation/OffspecSimulation.cpp

Description

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ OffspecSimulation() [1/2]

◆ OffspecSimulation() [2/2]

◆ ~OffspecSimulation()

Member Function Documentation

◆ addBackgroundIntensity()

◆ addDataToCache()

◆ addMask()

◆ addParameterDistribution() [1/2]

◆ addParameterDistribution() [2/2]

◆ background()

◆ beam() [1/2]

◆ beam() [2/2]

◆ beamAxis()

◆ checkInitialization()

◆ checkNodeArgs()

◆ className()

◆ createComputation()

◆ createCoordSystem()

◆ detector() [1/2]

◆ detector() [2/2]

◆ force_polarized()

◆ generateElements()

◆ getDetector()

◆ getDistributions()

◆ initCoordSystem()

◆ initDistributionHandler()

◆ initElementVector()

◆ intensityMapSize()

◆ maskAll()

◆ moveDataFromCache()

◆ nodeChildren()

◆ nodeOffspring()

◆ normalize()

◆ numberOfElements()

◆ options() [1/2]

◆ options() [2/2]

◆ pack_result()

◆ parDefs()

◆ prepareSimulation()

◆ progress()

◆ runSingleSimulation()

◆ sample()

◆ setBackground()

◆ setBeamParameters()

◆ setRegionOfInterest()

◆ setTerminalProgressMonitor()

◆ simulate()

◆ subscribe()

◆ transferDetectorImage()

◆ unitOfParameter()

◆ updateIntensityMap()

◆ validateParametrization()

Member Data Documentation

◆ m_alpha_i_axis

◆ m_background

◆ m_beam

◆ m_cache

◆ m_detector

◆ m_detector_context

◆ m_distribution_handler

◆ m_eles

◆ m_intensity_map

◆ m_options

◆ m_P

◆ m_progress

◆ m_sample