QSpecScan Class Reference

Inheritance diagram for QSpecScan:

Collaboration diagram for QSpecScan:

Public Member Functions
	QSpecScan (std::vector< double > qs_nm)
	QSpecScan (const IAxis &qs_nm)
	QSpecScan (int nbins, double qz_min, double qz_max)
	~QSpecScan () override
QSpecScan *	clone () const override
std::vector< SpecularSimulationElement >	generateSimulationElements () const override
virtual const IAxis *	coordinateAxis () const override
virtual const IFootprintFactor *	footprintFactor () const override
std::vector< double >	footprint (size_t i, size_t n_elements) const override
size_t	numberOfSimulationElements () const override
std::vector< double >	createIntensities (const std::vector< SpecularSimulationElement > &sim_elements) const override
std::string	print () const override
void	setQResolution (const ScanResolution &resolution)
void	setRelativeQResolution (const RangedDistribution &distr, double rel_dev)
void	setRelativeQResolution (const RangedDistribution &distr, const std::vector< double > &rel_dev)
void	setAbsoluteQResolution (const RangedDistribution &distr, double std_dev)
void	setAbsoluteQResolution (const RangedDistribution &distr, const std::vector< double > &std_dev)
virtual void	transferToCPP ()

Private Member Functions
void	checkInitialization ()
std::vector< double >	generateQzVector () const
std::vector< std::vector< ParameterSample > >	applyQResolution () const

Private Attributes
std::unique_ptr< IAxis >	m_qs
std::unique_ptr< ScanResolution >	m_resolution
std::vector< std::vector< ParameterSample > >	m_q_res_cache

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 23 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 30 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 37 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

clone()

QSpecScan * QSpecScan::clone ( ) const

overridevirtual

Implements ISpecularScan.

Definition at line 46 of file QSpecScan.cpp.

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

References m_qs, m_resolution, and QSpecScan().

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generateSimulationElements()

std::vector< SpecularSimulationElement > QSpecScan::generateSimulationElements ( ) 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] / 2.0, qz[i] >= 0));
    return result;
}

References generateQzVector().

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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 48 of file QSpecScan.h.

{ return m_qs.get(); }

References m_qs.

Referenced by print().

footprintFactor()

virtual const IFootprintFactor* QSpecScan::footprintFactor ( ) const

inlineoverridevirtual

Returns IFootprintFactor object pointer.

Implements ISpecularScan.

Definition at line 51 of file QSpecScan.h.

{ return nullptr; }

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 65 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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numberOfSimulationElements()

size_t QSpecScan::numberOfSimulationElements ( ) const

overridevirtual

Returns the number of simulation elements.

Implements ISpecularScan.

Definition at line 74 of file QSpecScan.cpp.

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

References m_qs, and m_resolution.

Referenced by footprint(), and generateQzVector().

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 80 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].getIntensity() * samples[i][j].weight;
            ++elem_pos;
        }
    }
    return result;
}

References applyQResolution(), and m_qs.

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print()

std::string QSpecScan::print ( ) const

overridevirtual

Print scan definition in python format.

Implements ISpecularScan.

Definition at line 98 of file QSpecScan.cpp.

{
    std::stringstream result;
    const std::string axis_def = pyfmt::indent() + "axis = ";
    result << axis_def << coordinateAxis()->pyString("", axis_def.size()) << "\n";
 
    result << pyfmt::indent() << "scan = ba.QSpecScan(axis)";
    if (!m_resolution->empty()) {
        result << "\n";
        result << *m_resolution << "\n";
        result << pyfmt::indent() << "scan.setQResolution(resolution)";
    }
    return result.str();
}

References coordinateAxis(), pyfmt::indent(), m_resolution, and IAxis::pyString().

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setQResolution()

void QSpecScan::setQResolution

(

const ScanResolution &

resolution

)

Sets q resolution values via ScanResolution object.

Definition at line 113 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, and m_resolution.

Referenced by setAbsoluteQResolution(), and setRelativeQResolution().

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setRelativeQResolution() [1/2]

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

Definition at line 120 of file QSpecScan.cpp.

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

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

Referenced by StandardSimulations::TOFRWithRelativeResolution().

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setRelativeQResolution() [2/2]

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

Sets qz resolution values via RangedDistribution 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 127 of file QSpecScan.cpp.

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

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

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setAbsoluteQResolution() [1/2]

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

Definition at line 135 of file QSpecScan.cpp.

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

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

Referenced by StandardSimulations::TOFRWithPointwiseResolution().

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setAbsoluteQResolution() [2/2]

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

Sets qz resolution values via RangedDistribution 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 142 of file QSpecScan.cpp.

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

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

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checkInitialization()

void QSpecScan::checkInitialization ( )

private

Definition at line 150 of file QSpecScan.cpp.

{
    std::vector<double> axis_values = m_qs->getBinCenters();
    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().

generateQzVector()

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

private

Definition at line 162 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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applyQResolution()

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

private

Definition at line 174 of file QSpecScan.cpp.

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

References m_q_res_cache, m_qs, and m_resolution.

Referenced by createIntensities(), and generateQzVector().

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_qs

std::unique_ptr<IAxis> QSpecScan::m_qs

private

Definition at line 91 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 92 of file QSpecScan.h.

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

m_q_res_cache

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

mutableprivate

Definition at line 93 of file QSpecScan.h.

Referenced by applyQResolution(), and setQResolution().

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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