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SelectCellWithForm.h
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SelectCellWithForm.h
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#ifndef MANTID_CRYSTAL_SELECT_CELL_WITH_FORM_H_
#define MANTID_CRYSTAL_SELECT_CELL_WITH_FORM_H_
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
#include "MantidDataObjects/PeaksWorkspace.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
Copyright © 2012 ISIS Rutherford Appleton Laboratory &
NScD Oak Ridge National Laboratory
This file is part of Mantid.
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at:
<https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class DLLExport 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; };
/// 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 DataObjects::PeaksWorkspace_sptr &ws, double tolerance);
private:
/// Initialise the properties
void init() override;
/// Run the algorithm
void exec() override;
};
} // namespace Crystal
} // namespace Mantid
#endif /* MANTID_CRYSTAL_SELECT_CELL_WITH_FORM_H */