QSpecScan.h

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Core/Scan/QSpecScan.h
//! @brief     Declares QSpecScan class.
//!
//! @homepage  http://www.bornagainproject.org
//! @license   GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2018
//! @authors   Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
//  ************************************************************************************************
 
#ifndef BORNAGAIN_CORE_SCAN_QSPECSCAN_H
#define BORNAGAIN_CORE_SCAN_QSPECSCAN_H
 
#include "Core/Scan/ISpecularScan.h"
#include <memory>
 
class ParameterSample;
class IRangedDistribution;
class ScanResolution;
 
//! Scan type with z-components of scattering vector as coordinate values.
//! Wavelength and incident angles are not accessible separately.
 
class QSpecScan : public ISpecularScan {
public:
    //! Accepts qz-value vector (in inverse nm)
    QSpecScan(std::vector<double> qs_nm);
    QSpecScan(const IAxis& qs_nm);
    //! 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.
    QSpecScan(int nbins, double qz_min, double qz_max);
 
    ~QSpecScan() override;
    QSpecScan* clone() const override;
 
    const ScanResolution* resolution() const { return m_resolution.get(); }
 
#ifndef SWIG
    //! Generates simulation elements for specular simulations
    std::vector<SpecularSimulationElement>
    generateSimulationElements(const Instrument& instrument) const override;
 
    //! Returns coordinate axis assigned to the data holder
    virtual const IAxis* coordinateAxis() const override { return m_qs.get(); }
 
    //! Returns IFootprintFactor object pointer
    virtual const IFootprintFactor* footprintFactor() const override { return nullptr; }
 
    //! Returns footprint correction factor for a range of simulation elements of size _n_elements_
    //! and starting from element with index _i_.
    std::vector<double> footprint(size_t i, size_t n_elements) const override;
 
    //! Returns the number of simulation elements
    size_t numberOfSimulationElements() const override;
 
    //! Returns intensity vector corresponding to convolution of given simulation elements
    std::vector<double>
    createIntensities(const std::vector<SpecularSimulationElement>& sim_elements) const override;
 
#endif // USER_API
 
    //! Sets q resolution values via ScanResolution object.
    void setQResolution(const ScanResolution& resolution);
 
    void setRelativeQResolution(const IRangedDistribution& distr, 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.
    void setRelativeQResolution(const IRangedDistribution& distr,
                                const std::vector<double>& rel_dev);
 
    void setAbsoluteQResolution(const IRangedDistribution& distr, 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.
    void setAbsoluteQResolution(const IRangedDistribution& distr,
                                const std::vector<double>& std_dev);
 
    void setOffset(double offset) { m_offset = offset; }
    double offset() const { return m_offset; }
 
private:
    void checkInitialization();
    std::vector<double> generateQzVector() const;
    std::vector<std::vector<ParameterSample>> applyQResolution() const;
 
    const std::unique_ptr<IAxis> m_qs;
    std::unique_ptr<ScanResolution> m_resolution;
    mutable std::vector<std::vector<ParameterSample>> m_q_res_cache;
 
    double m_offset = 0.;
};
 
#endif // BORNAGAIN_CORE_SCAN_QSPECSCAN_H