/
ConvertSpectrumAxis2.h
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/
ConvertSpectrumAxis2.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2015 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/Algorithm.h"
#include "MantidAlgorithms/DllConfig.h"
#include "MantidGeometry/IDetector.h"
namespace Mantid {
namespace Geometry {
class DetectorInfo;
}
namespace API {
class MatrixWorkspace;
}
namespace Algorithms {
/** Converts the representation of the vertical axis (the one up the side of
a matrix) of a Workspace2D from its default of holding the
spectrum number to the target unit given - theta, elastic Q and elastic Q^2.
The spectra will be reordered by increasing theta and duplicates will not be
aggregated.
Required Properties:
<UL>
<LI> InputWorkspace - The name of the input workspace. </LI>
<LI> OutputWorkspace - The name of the output workspace. </LI>
<LI> Target - The unit to which the spectrum axis should be
converted. </LI>
</UL>
*/
class MANTID_ALGORITHMS_DLL ConvertSpectrumAxis2 final : public API::Algorithm {
public:
/// Algorithm's name
const std::string name() const override { return "ConvertSpectrumAxis"; }
/// Summary of algorithms purpose
const std::string summary() const override {
return "Converts the axis of a Workspace2D which normally holds spectrum "
"numbers to one of Q, Q^2 or theta. 'Note': After running this "
"algorithm, some features will be unavailable on the workspace as "
"it will have lost all connection to the instrument. This includes "
"things like the 3D Instrument Display.";
}
/// Algorithm's version
int version() const override { return (2); }
const std::vector<std::string> seeAlso() const override { return {"ConvertAxesToRealSpace", "ConvertUnits"}; }
/// Algorithm's category for identification
const std::string category() const override { return "Transforms\\Units;Transforms\\Axes"; }
private:
/// Initialisation code
void init() override;
/// Execution code
void exec() override;
/// Converting to theta.
void createThetaMap(API::Progress &progress, const std::string &targetUnit, API::MatrixWorkspace_sptr &inputWS);
/// Compute inPlaneTwoTheta
double inPlaneTwoTheta(const size_t index, const API::MatrixWorkspace_sptr &inputWS) const;
/// Compute signed in plane two theta
double signedInPlaneTwoTheta(const size_t index, const API::MatrixWorkspace_sptr &inputWS) const;
/// Converting to Q and QSquared
void createElasticQMap(API::Progress &progress, const std::string &targetUnit, API::MatrixWorkspace_sptr &inputWS);
/// Creates an output workspace.
API::MatrixWorkspace_sptr createOutputWorkspace(API::Progress &progress, const std::string &targetUnit,
API::MatrixWorkspace_sptr &inputWS);
/// Map to which the conversion to the unit is stored.
std::multimap<double, size_t> m_indexMap;
/// Vector of axis in case ordering is not asked.
std::vector<double> m_axis;
/// Flag whether ordering is needed.
bool m_toOrder;
/// Emplaces to value and the index pair into the map.
void emplaceIndexMap(double value, size_t wsIndex);
/// Getting Efixed
double getEfixed(const size_t detectorIndex, const Mantid::Geometry::DetectorInfo &detectorInfo,
const API::MatrixWorkspace &inputWS, const int emode) const;
};
} // namespace Algorithms
} // namespace Mantid