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IntegratePeaksMDHKL.h
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IntegratePeaksMDHKL.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 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 "MantidAPI/IMDEventWorkspace_fwd.h"
#include "MantidAPI/IMDHistoWorkspace_fwd.h"
#include "MantidDataObjects/MDEventWorkspace.h"
#include "MantidDataObjects/MDHistoWorkspace.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidKernel/System.h"
namespace Mantid {
namespace MDAlgorithms {
/** Integrate single-crystal peaks in reciprocal-space.
*
* @author Vickie Lynch
* @date 2016-06-23
*/
class DLLExport IntegratePeaksMDHKL : public API::Algorithm {
public:
/// Algorithm's name for identification
const std::string name() const override { return "IntegratePeaksMDHKL"; };
/// Summary of algorithms purpose
const std::string summary() const override {
return "Integrate single-crystal peaks in reciprocal space, for "
"MDHistoWorkspaces.";
}
/// Algorithm's version for identification
int version() const override { return 1; };
const std::vector<std::string> seeAlso() const override {
return {"IntegratePeaksHybrid", "IntegratePeaksUsingClusters", "IntegratePeaksMD", "IntegratePeaksCWSD"};
}
/// Algorithm's category for identification
const std::string category() const override { return "MDAlgorithms\\Peaks;Crystal\\Integration"; }
private:
/// Initialise the properties
void init() override;
/// Run the algorithm
void exec() override;
DataObjects::MDHistoWorkspace_sptr normalize(int h, int k, int l, double box, int gridPts,
const API::MatrixWorkspace_sptr &flux,
const API::MatrixWorkspace_sptr &sa,
const API::IMDEventWorkspace_sptr &ws);
DataObjects::MDHistoWorkspace_sptr binEvent(int h, int k, int l, double box, int gridPts,
const API::IMDWorkspace_sptr &ws);
DataObjects::MDHistoWorkspace_sptr cropHisto(int h, int k, int l, double box, const API::IMDWorkspace_sptr &ws);
void integratePeak(const int neighborPts, const DataObjects::MDHistoWorkspace_sptr &out, double &intensity,
double &errorSquared);
};
} // namespace MDAlgorithms
} // namespace Mantid