-
Notifications
You must be signed in to change notification settings - Fork 122
/
VesuvioResolution.h
101 lines (90 loc) · 3.94 KB
/
VesuvioResolution.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2013 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAPI/ParamFunction.h"
#include "MantidCurveFitting/DllConfig.h"
namespace Mantid {
namespace CurveFitting {
namespace Algorithms {
//---------------------------------------------------------------------------
// Forward declarations
//---------------------------------------------------------------------------
struct DetectorParams;
} // namespace Algorithms
namespace Functions {
//---------------------------------------------------------------------------
/// Simple data structure to store resolution parameter values
/// It avoids some functions taking a huge number of arguments
struct ResolutionParams {
double dl1; ///< spread in source-sample distance (m)
double dl2; ///< spread in sample-detector distance (m)
double dtof; ///< spread in tof measurement (us)
double dthe; ///< spread in scattering angle (radians)
double dEnLorentz; ///< lorentz width in energy (meV)
double dEnGauss; ///< gaussian width in energy (meV
};
/**
Calculate the resolution from a workspace of Vesuvio data using the mass &
instrument definition.
*/
class MANTID_CURVEFITTING_DLL VesuvioResolution : public API::ParamFunction, public API::IFunction1D {
public:
/// Creates a POD struct containing the required resolution parameters for
/// this spectrum
static ResolutionParams getResolutionParameters(const API::MatrixWorkspace_const_sptr &ws, const size_t index);
/// Default constructor required for factory
VesuvioResolution();
/** @name Function evaluation */
///@{
/// A string identifier for this function
std::string name() const override;
/// Access total resolution width
inline double resolutionFWHM() const { return m_resolutionSigma; }
/// Access lorentz FWHM
inline double lorentzFWHM() const { return m_lorentzFWHM; }
/// Calculate the function
void function1D(double *out, const double *xValues, const size_t nData) const override;
/// Ensure the object is ready to be fitted
void setUpForFit() override;
/// Cache a copy of the workspace pointer and pull out the parameters
void setMatrixWorkspace(std::shared_ptr<const API::MatrixWorkspace> workspace, size_t wsIndex, double startX,
double endX) override;
/// Pre-calculate the resolution components values
void cacheResolutionComponents(const Algorithms::DetectorParams &detpar, const ResolutionParams &respar);
/// Turn off logger
void disableLogging() { m_log.setEnabled(false); }
/// Compute Voigt function
void voigtApprox(std::vector<double> &voigt, const std::vector<double> &xValues, const double lorentzPos,
const double lorentzAmp, const double lorentzWidth, const double gaussWidth) const;
/// Compute Voigt function with cached values
void voigtApprox(std::vector<double> &voigt, const std::vector<double> &xValues, const double lorentzPos,
const double lorentzAmp) const;
///@}
private:
/// Declare parameters that will never participate in the fit
void declareAttributes() override;
/// Set an attribute value (and possibly cache its value)
void setAttribute(const std::string &name, const Attribute &value) override;
/// Logger
mutable Kernel::Logger m_log;
/// Current workspace index, required to access instrument parameters
size_t m_wsIndex;
/// Store the mass values
double m_mass;
/// Voigt function
std::shared_ptr<API::IPeakFunction> m_voigt;
/// Total resolution width
double m_resolutionSigma;
/// Lorentz FWHM
double m_lorentzFWHM;
///@}
};
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid