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PDFFourierTransform.h
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PDFFourierTransform.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/WorkspaceUnitValidator.h"
#include "MantidAlgorithms/DllConfig.h"
namespace Mantid {
namespace Algorithms {
/** PDFFourierTransform : TODO: DESCRIPTION
*/
class MANTID_ALGORITHMS_DLL PDFFourierTransform : public API::Algorithm {
public:
/// Algorithm's name for identification
const std::string name() const override;
/// Summary of algorithms purpose
const std::string summary() const override {
return "Fourier transform from S(Q) to G(r), which is paired distribution "
"function (PDF). G(r) will be stored in another named workspace.";
}
/// Algorithm's version for identification
int version() const override;
const std::vector<std::string> seeAlso() const override { return {"FFT"}; }
/// Algorithm's category for identification
const std::string category() const override;
/// @copydoc Algorithm::validateInputs()
std::map<std::string, std::string> validateInputs() override;
private:
/// Initialize the properties
void init() override;
/// Run the algorithm
void exec() override;
size_t determineQminIndex(const std::vector<double> &Q, const std::vector<double> &FofQ);
size_t determineQmaxIndex(const std::vector<double> &Q, const std::vector<double> &FofQ);
double determineRho0();
};
} // namespace Algorithms
} // namespace Mantid