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IntegrateEllipsoidsTwoStep.h
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IntegrateEllipsoidsTwoStep.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2011 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/MatrixWorkspace.h"
#include "MantidAPI/Progress.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidKernel/Matrix.h"
#include "MantidMDAlgorithms/Integrate3DEvents.h"
namespace Mantid {
namespace MDAlgorithms {
/** @class IntegrateEllipsoidsTwoStep
IntegrateEllipsoidsTwoStep provides a two pass peak integration algorithm.
*/
class DLLExport IntegrateEllipsoidsTwoStep : public API::Algorithm {
public:
/// Get the name of this algorithm
const std::string name() const override;
/// Get the version of this algorithm
int version() const override;
const std::vector<std::string> seeAlso() const override {
return {"IntegrateEllipsoids"};
}
/// Get the category of this algorithm
const std::string category() const override;
/// Summary of algorithms purpose
const std::string summary() const override {
return "Integrate Single Crystal Diffraction Bragg peaks using 3D "
"ellipsoids.";
}
private:
void init() override;
void exec() override;
IntegrationParameters
makeIntegrationParameters(const Kernel::V3D &peak_q) const;
void qListFromHistoWS(Integrate3DEvents &integrator, API::Progress &prog,
DataObjects::Workspace2D_sptr &wksp,
const Kernel::DblMatrix &UBinv, bool hkl_integ);
void qListFromEventWS(Integrate3DEvents &integrator, API::Progress &prog,
DataObjects::EventWorkspace_sptr &wksp,
const Kernel::DblMatrix &UBinv, bool hkl_integ);
/// Calculate if this Q is on a detector
void calculateE1(const Geometry::DetectorInfo &detectorInfo);
void runMaskDetectors(const Mantid::DataObjects::PeaksWorkspace_sptr &peakWS,
const std::string &property, const std::string &values);
/// integrate a collection of strong peaks
DataObjects::PeaksWorkspace_sptr
integratePeaks(DataObjects::PeaksWorkspace_sptr peaks,
API::MatrixWorkspace_sptr ws);
/// save all detector pixels
std::vector<Kernel::V3D> E1Vec;
};
} // namespace MDAlgorithms
} // namespace Mantid