Scan type with z-components of scattering vector as coordinate values. More...

Inheritance diagram for QSpecScan:

Collaboration diagram for QSpecScan:

Public Member Functions
	QSpecScan (const IAxis &qs_nm)

	QSpecScan (int nbins, double qz_min, double qz_max)
	Sets q-defined specular scan. More...

	QSpecScan (std::vector< double > qs_nm)
	Accepts qz-value vector (in inverse nm) More...

	~QSpecScan () override

QSpecScan *	clone () const override

virtual const IAxis *	coordinateAxis () const override
	Returns coordinate axis assigned to the data holder. More...

std::vector< double >	createIntensities (const std::vector< SpecularSimulationElement > &sim_elements) const override
	Returns intensity vector corresponding to convolution of given simulation elements. More...

std::vector< double >	footprint (size_t i, size_t n_elements) const override
	Returns footprint correction factor for a range of simulation elements of size n_elements and starting from element with index i. More...

virtual const IFootprintFactor *	footprintFactor () const override
	Returns IFootprintFactor object pointer. More...

std::vector< SpecularSimulationElement >	generateSimulationElements (const Instrument &instrument) const override
	Generates simulation elements for specular simulations. More...

size_t	numberOfSimulationElements () const override
	Returns the number of simulation elements. More...

double	offset () const

const ScanResolution *	resolution () const

void	setAbsoluteQResolution (const IRangedDistribution &distr, const std::vector< double > &std_dev)
	Sets qz resolution values via IRangedDistribution and values of standard deviations. More...

void	setAbsoluteQResolution (const IRangedDistribution &distr, double std_dev)

void	setOffset (double offset)

void	setQResolution (const ScanResolution &resolution)
	Sets q resolution values via ScanResolution object. More...

void	setRelativeQResolution (const IRangedDistribution &distr, const std::vector< double > &rel_dev)
	Sets qz resolution values via IRangedDistribution and values of relative deviations (that is, rel_dev equals standard deviation divided by the mean value). More...

void	setRelativeQResolution (const IRangedDistribution &distr, double rel_dev)

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

Private Member Functions
std::vector< std::vector< ParameterSample > >	applyQResolution () const

void	checkInitialization ()

std::vector< double >	generateQzVector () const

Private Attributes
double	m_offset = 0.

std::vector< std::vector< ParameterSample > >	m_q_res_cache

const std::unique_ptr< IAxis >	m_qs

std::unique_ptr< ScanResolution >	m_resolution

Detailed Description

Scan type with z-components of scattering vector as coordinate values.

Wavelength and incident angles are not accessible separately.

Definition at line 28 of file QSpecScan.h.

Constructor & Destructor Documentation

◆ QSpecScan() [1/3]

QSpecScan::QSpecScan ( std::vector< double > qs_nm )

Accepts qz-value vector (in inverse nm)

Definition at line 22 of file QSpecScan.cpp.

     : m_qs(std::make_unique<PointwiseAxis>("qs", std::move(qs_nm)))
     , m_resolution(ScanResolution::scanEmptyResolution())
 {
     checkInitialization();
 }

References checkInitialization().

Referenced by clone().

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◆ QSpecScan() [2/3]

QSpecScan::QSpecScan ( const IAxis & qs_nm )

Definition at line 29 of file QSpecScan.cpp.

     : m_qs(qs_nm.clone()), m_resolution(ScanResolution::scanEmptyResolution())
 {
     checkInitialization();
 }

References checkInitialization().

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◆ QSpecScan() [3/3]

QSpecScan::QSpecScan	(	int	nbins,
		double	qz_min,
		double	qz_max
	)

Sets q-defined specular scan.

Accepts either numpy array of q-values sorted in ascending order or an IAxis object with q-values. Alternatively an axis can be defined in-place, then the first passed parameter is the number of bins, second - minimum on-axis q-value, third - maximum on-axis q_value.

Definition at line 35 of file QSpecScan.cpp.

     : m_qs(std::make_unique<FixedBinAxis>("qs", nbins, qz_min, qz_max))
     , m_resolution(ScanResolution::scanEmptyResolution())
 {
     checkInitialization();
 }

References checkInitialization().

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◆ ~QSpecScan()

QSpecScan::~QSpecScan ( )

overridedefault

Member Function Documentation

◆ applyQResolution()

std::vector< std::vector< ParameterSample > > QSpecScan::applyQResolution ( ) const

private

Definition at line 161 of file QSpecScan.cpp.

 {
     if (m_q_res_cache.empty())
         m_q_res_cache = m_resolution->generateSamples(m_qs->binCenters());
     return m_q_res_cache;
 }

References m_q_res_cache, m_qs, and m_resolution.

Referenced by createIntensities(), and generateQzVector().

◆ checkInitialization()

void QSpecScan::checkInitialization ( )

private

Definition at line 137 of file QSpecScan.cpp.

 {
     std::vector<double> axis_values = m_qs->binCenters();
     if (!std::is_sorted(axis_values.begin(), axis_values.end()))
         throw std::runtime_error("Error in QSpecScan::checkInitialization: q-vector values shall "
                                  "be sorted in ascending order.");
  
     if (axis_values.front() < 0)
         throw std::runtime_error("Error in QSpecScan::checkInitialization: q-vector values are out "
                                  "of acceptable range.");
 }

References m_qs.

Referenced by QSpecScan().

◆ clone()

QSpecScan * QSpecScan::clone ( ) const

overridevirtual

Implements ISpecularScan.

Definition at line 44 of file QSpecScan.cpp.

 {
     auto* result = new QSpecScan(*m_qs);
     result->setQResolution(*m_resolution);
     result->setOffset(m_offset);
     return result;
 }

References QSpecScan(), m_offset, m_qs, and m_resolution.

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◆ coordinateAxis()

virtual const IAxis* QSpecScan::coordinateAxis ( ) const

inlineoverridevirtual

Returns coordinate axis assigned to the data holder.

Implements ISpecularScan.

Definition at line 50 of file QSpecScan.h.

50 { return m_qs.get(); }

References m_qs.

◆ createIntensities()

std::vector< double > QSpecScan::createIntensities ( const std::vector< SpecularSimulationElement > & sim_elements ) const

overridevirtual

Returns intensity vector corresponding to convolution of given simulation elements.

Implements ISpecularScan.

Definition at line 82 of file QSpecScan.cpp.

 {
     const size_t axis_size = m_qs->size();
     std::vector<double> result(axis_size, 0.0);
  
     const auto samples = applyQResolution();
  
     size_t elem_pos = 0;
     for (size_t i = 0; i < axis_size; ++i) {
         double& current = result[i];
         for (size_t j = 0, size = samples[i].size(); j < size; ++j) {
             current += sim_elements[elem_pos].intensity() * samples[i][j].weight;
             ++elem_pos;
         }
     }
     return result;
 }

References applyQResolution(), and m_qs.

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◆ footprint()

std::vector< double > QSpecScan::footprint	(	size_t	i,
		size_t	n_elements
	)		const

overridevirtual

Returns footprint correction factor for a range of simulation elements of size n_elements and starting from element with index i.

Implements ISpecularScan.

Definition at line 67 of file QSpecScan.cpp.

 {
     if (i + n_elements > numberOfSimulationElements())
         throw std::runtime_error("Error in QSpecScan::footprint: given index exceeds the "
                                  "number of simulation elements");
     return std::vector<double>(n_elements, 1.0);
 }

References numberOfSimulationElements().

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◆ footprintFactor()

virtual const IFootprintFactor* QSpecScan::footprintFactor ( ) const

inlineoverridevirtual

Returns IFootprintFactor object pointer.

Implements ISpecularScan.

Definition at line 53 of file QSpecScan.h.

53 { return nullptr; }

◆ generateQzVector()

std::vector< double > QSpecScan::generateQzVector ( ) const

private

Definition at line 149 of file QSpecScan.cpp.

 {
     const auto samples = applyQResolution();
  
     std::vector<double> result;
     result.reserve(numberOfSimulationElements());
     for (size_t i = 0, size_out = samples.size(); i < size_out; ++i)
         for (size_t j = 0, size_in = samples[i].size(); j < size_in; ++j)
             result.push_back(samples[i][j].value);
     return result;
 }

References applyQResolution(), and numberOfSimulationElements().

Referenced by generateSimulationElements().

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◆ generateSimulationElements()

std::vector< SpecularSimulationElement > QSpecScan::generateSimulationElements ( const Instrument & instrument ) const

overridevirtual

Generates simulation elements for specular simulations.

Implements ISpecularScan.

Definition at line 54 of file QSpecScan.cpp.

 {
     const std::vector<double> qz = generateQzVector();
  
     std::vector<SpecularSimulationElement> result;
     result.reserve(qz.size());
     for (size_t i = 0, size = qz.size(); i < size; ++i)
         result.emplace_back(
             SpecularSimulationElement(-(qz[i] + m_offset) / 2.0, instrument, qz[i] >= 0));
  
     return result;
 }

References generateQzVector(), and m_offset.

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◆ numberOfSimulationElements()

size_t QSpecScan::numberOfSimulationElements ( ) const

overridevirtual

Returns the number of simulation elements.

Implements ISpecularScan.

Definition at line 76 of file QSpecScan.cpp.

 {
     return m_qs->size() * m_resolution->nSamples();
 }

References m_qs, and m_resolution.

Referenced by footprint(), and generateQzVector().

◆ offset()

double QSpecScan::offset ( ) const

inline

Definition at line 87 of file QSpecScan.h.

87 { return m_offset; }

References m_offset.

Referenced by setOffset().

◆ resolution()

const ScanResolution* QSpecScan::resolution ( ) const

inline

Definition at line 42 of file QSpecScan.h.

42 { return m_resolution.get(); }

References m_resolution.

Referenced by setAbsoluteQResolution(), setQResolution(), and setRelativeQResolution().

◆ setAbsoluteQResolution() [1/2]

void QSpecScan::setAbsoluteQResolution	(	const IRangedDistribution &	distr,
		const std::vector< double > &	std_dev
	)

Sets qz resolution values via IRangedDistribution and values of standard deviations.

std_dev can be either single-valued or a numpy array. In the latter case the length of the array should coinside with the length of the qz-axis.

Definition at line 129 of file QSpecScan.cpp.

 {
     std::unique_ptr<ScanResolution> resolution(
         ScanResolution::scanAbsoluteResolution(distr, std_dev));
     setQResolution(*resolution);
 }

References resolution(), ScanResolution::scanAbsoluteResolution(), and setQResolution().

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◆ setAbsoluteQResolution() [2/2]

void QSpecScan::setAbsoluteQResolution	(	const IRangedDistribution &	distr,
		double	std_dev
	)

Definition at line 122 of file QSpecScan.cpp.

 {
     std::unique_ptr<ScanResolution> resolution(
         ScanResolution::scanAbsoluteResolution(distr, std_dev));
     setQResolution(*resolution);
 }

References resolution(), ScanResolution::scanAbsoluteResolution(), and setQResolution().

Referenced by StandardSimulations::TOFRWithPointwiseResolution().

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◆ setOffset()

void QSpecScan::setOffset ( double offset )

inline

Definition at line 86 of file QSpecScan.h.

86 { m_offset = offset; }

QSpecScan::offset

double offset() const

Definition: QSpecScan.h:87

References m_offset, and offset().

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◆ setQResolution()

void QSpecScan::setQResolution ( const ScanResolution & resolution )

Sets q resolution values via ScanResolution object.

Definition at line 100 of file QSpecScan.cpp.

 {
     m_resolution.reset(resolution.clone());
     m_q_res_cache.clear();
     m_q_res_cache.shrink_to_fit();
 }

References ScanResolution::clone(), m_q_res_cache, m_resolution, and resolution().

Referenced by setAbsoluteQResolution(), and setRelativeQResolution().

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◆ setRelativeQResolution() [1/2]

void QSpecScan::setRelativeQResolution	(	const IRangedDistribution &	distr,
		const std::vector< double > &	rel_dev
	)

Sets qz resolution values via IRangedDistribution and values of relative deviations (that is, rel_dev equals standard deviation divided by the mean value).

rel_dev can be either single-valued or a numpy array. In the latter case the length of the array should coinside with the length of the qz-axis.

Definition at line 114 of file QSpecScan.cpp.

 {
     std::unique_ptr<ScanResolution> resolution(
         ScanResolution::scanRelativeResolution(distr, rel_dev));
     setQResolution(*resolution);
 }

References resolution(), ScanResolution::scanRelativeResolution(), and setQResolution().

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◆ setRelativeQResolution() [2/2]

void QSpecScan::setRelativeQResolution	(	const IRangedDistribution &	distr,
		double	rel_dev
	)

Definition at line 107 of file QSpecScan.cpp.

 {
     std::unique_ptr<ScanResolution> resolution(
         ScanResolution::scanRelativeResolution(distr, rel_dev));
     setQResolution(*resolution);
 }

References resolution(), ScanResolution::scanRelativeResolution(), and setQResolution().

Referenced by StandardSimulations::TOFRWithRelativeResolution().

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◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )

inlinevirtualinherited

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

Definition at line 34 of file ICloneable.h.

Member Data Documentation

◆ m_offset

double QSpecScan::m_offset = 0.

private

Definition at line 98 of file QSpecScan.h.

Referenced by clone(), generateSimulationElements(), offset(), and setOffset().

◆ m_q_res_cache

std::vector<std::vector<ParameterSample> > QSpecScan::m_q_res_cache

mutableprivate

Definition at line 96 of file QSpecScan.h.

Referenced by applyQResolution(), and setQResolution().

◆ m_qs

const std::unique_ptr<IAxis> QSpecScan::m_qs

private

Definition at line 94 of file QSpecScan.h.

Referenced by applyQResolution(), checkInitialization(), clone(), coordinateAxis(), createIntensities(), and numberOfSimulationElements().

◆ m_resolution

std::unique_ptr<ScanResolution> QSpecScan::m_resolution

private

Definition at line 95 of file QSpecScan.h.

Referenced by applyQResolution(), clone(), numberOfSimulationElements(), resolution(), and setQResolution().

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

/home/www/ba/Core/Scan/QSpecScan.h
/home/www/ba/Core/Scan/QSpecScan.cpp

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ QSpecScan() [1/3]

◆ QSpecScan() [2/3]

◆ QSpecScan() [3/3]

◆ ~QSpecScan()

Member Function Documentation

◆ applyQResolution()

◆ checkInitialization()

◆ clone()

◆ coordinateAxis()

◆ createIntensities()

◆ footprint()

◆ footprintFactor()

◆ generateQzVector()

◆ generateSimulationElements()

◆ numberOfSimulationElements()

◆ offset()

◆ resolution()

◆ setAbsoluteQResolution() [1/2]

◆ setAbsoluteQResolution() [2/2]

◆ setOffset()

◆ setQResolution()

◆ setRelativeQResolution() [1/2]

◆ setRelativeQResolution() [2/2]

◆ transferToCPP()

Member Data Documentation

◆ m_offset

◆ m_q_res_cache

◆ m_qs

◆ m_resolution