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DiffractionFocussing.h
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DiffractionFocussing.h
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#ifndef MANTID_ALGORITHM_DIFFRACTIONFOCUSSING_H_
#define MANTID_ALGORITHM_DIFFRACTIONFOCUSSING_H_
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/DeprecatedAlgorithm.h"
#include <Poco/NObserver.h>
namespace Mantid {
namespace Algorithms {
/**
This is a parent algorithm that uses several different child algorithms to
perform it's task.
Takes a workspace as input and the filename of a grouping file of a suitable
format.
The input workspace is
1) Converted to d-spacing units
2) Rebinnned to a common set of bins
3) The spectra are grouped according to the grouping file.
Required Properties:
<UL>
<LI> InputWorkspace - The name of the 2D Workspace to take as input </LI>
<LI> GroupingFileName - The path to a grouping file</LI>
<LI> OutputWorkspace - The name of the 2D workspace in which to store the result
</LI>
</UL>
The structure of the grouping file is as follows:
# Format: number UDET offset select group
0 611 0.0000000 1 0
1 612 0.0000000 1 0
2 601 0.0000000 0 0
3 602 0.0000000 0 0
4 621 0.0000000 1 0
@author Nick Draper, Tessella
@date 11/07/2008
Copyright © 2008 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
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 DiffractionFocussing : public API::Algorithm,
public API::DeprecatedAlgorithm {
public:
/// Constructor
DiffractionFocussing();
/// Destructor
~DiffractionFocussing() override{};
/// Algorithm's name for identification overriding a virtual method
const std::string name() const override { return "DiffractionFocussing"; }
/// Summary of algorithms purpose
const std::string summary() const override {
return "Algorithm to focus powder diffraction data into a number of "
"histograms according to a grouping scheme defined in a CalFile.";
}
/// Algorithm's version for identification overriding a virtual method
int version() const override { return 1; }
/// Algorithm's category for identification overriding a virtual method
const std::string category() const override {
return "Diffraction\\Focussing";
}
private:
// Overridden Algorithm methods
void init() override;
void exec() override;
API::MatrixWorkspace_sptr
convertUnitsToDSpacing(const API::MatrixWorkspace_sptr &workspace);
void RebinWorkspace(API::MatrixWorkspace_sptr &workspace);
void calculateRebinParams(const API::MatrixWorkspace_const_sptr &workspace,
double &min, double &max, double &step);
std::multimap<int64_t, int64_t>
readGroupingFile(std::string groupingFileName);
};
} // namespace Algorithm
} // namespace Mantid
#endif /*MANTID_ALGORITHM_DIFFRACTIONFOCUSSING_H_*/