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ReflectometryReductionOne2.h
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ReflectometryReductionOne2.h
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// 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 "MantidReflectometry/ReflectometryWorkflowBase2.h"
namespace Mantid {
// Forward declaration
namespace API {
class SpectrumInfo;
}
namespace Geometry {
class ReferenceFrame;
}
namespace HistogramData {
class HistogramX;
class HistogramY;
class HistogramE;
} // namespace HistogramData
namespace Reflectometry {
/** ReflectometryReductionOne2 : Reflectometry reduction of a single input TOF
workspace to an IvsQ workspace. Version 2 of the algorithm.
*/
class MANTID_REFLECTOMETRY_DLL ReflectometryReductionOne2 : public ReflectometryWorkflowBase2 {
public:
/// Algorithm's name for identification
const std::string name() const override { return "ReflectometryReductionOne"; };
/// Summary of algorithms purpose
const std::string summary() const override {
return "Reduces a single TOF/Lambda reflectometry run into a mod Q vs I/I0 "
"workspace. Performs monitor normalization and transmission "
"corrections.";
}
/// Algorithm's version for identification.
int version() const override { return 2; };
const std::vector<std::string> seeAlso() const override { return {"ReflectometryReductionOneAuto"}; }
/// Algorithm's category for identification.
const std::string category() const override { return "Reflectometry"; };
private:
/** Overridden Algorithm methods **/
// Initialize the algorithm
void init() override;
// Execute the algorithm
void exec() override;
// Validate inputs
std::map<std::string, std::string> validateInputs() override;
// Set default names for output workspaces
void setDefaultOutputWorkspaceNames();
// Create a direct beam workspace from input workspace in wavelength
Mantid::API::MatrixWorkspace_sptr makeDirectBeamWS(Mantid::API::MatrixWorkspace_sptr inputWS);
// Performs direct beam correction
Mantid::API::MatrixWorkspace_sptr directBeamCorrection(Mantid::API::MatrixWorkspace_sptr detectorWS);
// Performs transmission or algorithm correction
Mantid::API::MatrixWorkspace_sptr transOrAlgCorrection(const Mantid::API::MatrixWorkspace_sptr &detectorWS,
const bool detectorWSReduced);
// Performs background subtraction
Mantid::API::MatrixWorkspace_sptr backgroundSubtraction(Mantid::API::MatrixWorkspace_sptr detectorWS);
// Performs transmission corrections
Mantid::API::MatrixWorkspace_sptr transmissionCorrection(const Mantid::API::MatrixWorkspace_sptr &detectorWS,
const bool detectorWSReduced);
// Performs transmission corrections using alternative correction algorithms
Mantid::API::MatrixWorkspace_sptr algorithmicCorrection(const Mantid::API::MatrixWorkspace_sptr &detectorWS);
// Performs monitor corrections
Mantid::API::MatrixWorkspace_sptr monitorCorrection(Mantid::API::MatrixWorkspace_sptr detectorWS);
// convert to momentum transfer
bool useDetectorAngleForQConversion(const MatrixWorkspace_sptr &ws) const;
Mantid::API::MatrixWorkspace_sptr convertToQ(const Mantid::API::MatrixWorkspace_sptr &inputWS);
// Get the twoTheta width of a given detector
double getDetectorTwoThetaRange(const size_t spectrumIdx);
// Utility function to create name for diagnostic workspaces
std::string createDebugWorkspaceName(const std::string &inputName);
// Utility function to output a diagnostic workspace to the ADS
void outputDebugWorkspace(const API::MatrixWorkspace_sptr &ws, const std::string &wsName, const std::string &wsSuffix,
const bool debug, int &step);
// Create the output workspace in wavelength
Mantid::API::MatrixWorkspace_sptr makeIvsLam();
// Do the reduction by summation in Q
Mantid::API::MatrixWorkspace_sptr sumInQ(const API::MatrixWorkspace_sptr &detectorWS);
// Do the summation in Q for a single input value
void sumInQProcessValue(const int inputIdx, const double twoTheta, const double bTwoTheta,
const HistogramData::HistogramX &inputX, const HistogramData::HistogramY &inputY,
const HistogramData::HistogramE &inputE, const std::vector<size_t> &detectors,
const size_t outSpecIdx, const API::MatrixWorkspace_sptr &IvsLam,
std::vector<double> &outputE);
// Share counts to a projected value for summation in Q
void sumInQShareCounts(const double inputCounts, const double inputErr, const double bLambda, const double lambdaMin,
const double lambdaMax, const size_t outSpecIdx, const API::MatrixWorkspace_sptr &IvsLam,
std::vector<double> &outputE);
void findWavelengthMinMax(const API::MatrixWorkspace_sptr &inputWS);
// Construct the output workspace
void findIvsLamRange(const API::MatrixWorkspace_sptr &detectorWS, const std::vector<size_t> &detectors,
const double lambdaMin, const double lambdaMax, double &projectedMin, double &projectedMax);
// Construct the output workspace
Mantid::API::MatrixWorkspace_sptr constructIvsLamWS(const API::MatrixWorkspace_sptr &detectorWS);
// Whether summation should be done in Q or the default lambda
bool summingInQ() const;
// Get projected coordinates onto twoThetaR
void getProjectedLambdaRange(const double lambda, const double twoTheta, const double bLambda, const double bTwoTheta,
const std::vector<size_t> &detectors, double &lambdaTop, double &lambdaBot,
const bool outerCorners = true);
// Check whether two spectrum maps match
void verifySpectrumMaps(const API::MatrixWorkspace_const_sptr &ws1, const API::MatrixWorkspace_const_sptr &ws2);
// Find and cache constants
void findDetectorGroups();
void findTheta0();
// Accessors for detectors and theta and lambda values
const std::vector<std::vector<size_t>> &detectorGroups() const { return m_detectorGroups; };
double theta0() { return m_theta0; }
double twoThetaR(const std::vector<size_t> &detectors);
size_t twoThetaRDetectorIdx(const std::vector<size_t> &detectors);
double wavelengthMin() { return m_wavelengthMin; };
double wavelengthMax() { return m_wavelengthMax; };
size_t findIvsLamRangeMinDetector(const std::vector<size_t> &detectors);
size_t findIvsLamRangeMaxDetector(const std::vector<size_t> &detectors);
double findIvsLamRangeMin(const Mantid::API::MatrixWorkspace_sptr &detectorWS, const std::vector<size_t> &detectors,
const double lambda);
double findIvsLamRangeMax(const Mantid::API::MatrixWorkspace_sptr &detectorWS, const std::vector<size_t> &detectors,
const double lambda);
API::MatrixWorkspace_sptr m_runWS;
const API::SpectrumInfo *m_spectrumInfo;
std::shared_ptr<const Mantid::Geometry::ReferenceFrame> m_refFrame;
bool m_convertUnits; // convert the input workspace to lambda
bool m_normaliseMonitors; // normalise by monitors and direct beam
bool m_normaliseTransmission; // transmission or algorithmic correction
bool m_sum; // whether to do summation
double m_theta0; // horizon angle
// groups of spectrum indices of the detectors of interest
std::vector<std::vector<size_t>> m_detectorGroups;
// Store the min/max wavelength we're interested in. These will be the
// input Wavelength min/max if summing in lambda, or the projected
// versions of these if summing in Q
double m_wavelengthMin;
double m_wavelengthMax;
// True if partial bins should be included in the summation in Q
bool m_partialBins;
};
} // namespace Reflectometry
} // namespace Mantid