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SaveHKL.h
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SaveHKL.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 "MantidCrystal/DllConfig.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidKernel/System.h"
namespace Mantid {
namespace Crystal {
/** Save a PeaksWorkspace to a Gsas-style ASCII .hkl file.
*
* @author Vickie Lynch, SNS
* @date 2011-09-28
*/
class MANTID_CRYSTAL_DLL SaveHKL : public API::Algorithm {
public:
/// Algorithm's name for identification
const std::string name() const override { return "SaveHKL"; }
/// Summary of algorithms purpose
const std::string summary() const override {
return "Save a PeaksWorkspace to a ASCII .hkl file.";
}
/// Algorithm's version for identification
int version() const override { return 1; }
const std::vector<std::string> seeAlso() const override {
return {"LoadHKL"};
}
/// Algorithm's category for identification
const std::string category() const override {
return "Crystal\\DataHandling;DataHandling\\Text";
}
private:
/// Initialise the properties
void init() override;
/// Run the algorithm
void exec() override;
double absorbSphere(double radius, double twoth, double wl, double &tbar);
double spectrumCalc(double TOF, int iSpec,
std::vector<std::vector<double>> time,
std::vector<std::vector<double>> spectra, size_t id);
void sizeBanks(const std::string &bankName, int &nCols, int &nRows);
DataObjects::PeaksWorkspace_sptr m_ws;
double m_smu = 0.0; // in 1/cm
double m_amu = 0.0; // in 1/cm
double m_power_th = 0.0;
};
} // namespace Crystal
} // namespace Mantid