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SelectCellWithForm.h
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SelectCellWithForm.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2012 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/IPeaksWorkspace.h"
#include "MantidCrystal/DllConfig.h"
namespace Mantid {
namespace Crystal {
/** ShowPossibleCells : Algorithm to display a list of possible conventional
cells corresponding to the UB saved in the sample associated
with the specified PeaksWorkspace, provided the saved UB is for a Niggli
reduced cell.
@author Dennis Mikkelson
@date 2012-02-13
*/
class MANTID_CRYSTAL_DLL SelectCellWithForm : public API::Algorithm {
public:
/// Algorithm's name for identification
const std::string name() const override { return "SelectCellWithForm"; };
/// Algorithm's version for identification
int version() const override { return 1; };
const std::vector<std::string> seeAlso() const override {
return {"FindUBUsingFFT", "FindUBUsingIndexedPeaks", "FindUBUsingLatticeParameters"};
}
/// Algorithm's category for identification
const std::string category() const override { return "Crystal\\Cell"; }
/// Summary of algorithms purpose
const std::string summary() const override {
return "Select a conventional cell with a specific form number, "
"corresponding to the UB stored with the sample for this peaks "
"works space.";
}
static Kernel::Matrix<double> DetermineErrors(std::vector<double> &sigabc, const Kernel::Matrix<double> &UB,
const API::IPeaksWorkspace_sptr &ws, double tolerance);
private:
/// Initialise the properties
void init() override;
/// Run the algorithm
void exec() override;
};
} // namespace Crystal
} // namespace Mantid