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OptimizeLatticeForCellType.h
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OptimizeLatticeForCellType.h
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#ifndef MANTID_CRYSTAL_OptimizeLatticeForCellType_H_
#define MANTID_CRYSTAL_OptimizeLatticeForCellType_H_
#include "MantidAPI/Algorithm.h"
#include "MantidKernel/System.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include <gsl/gsl_blas.h>
#include <gsl/gsl_multifit_nlin.h>
#include <gsl/gsl_multimin.h>
#include <gsl/gsl_statistics.h>
namespace Mantid
{
namespace Crystal
{
/**
Find the offsets for each detector
@author Vickie Lynch, SNS
@date 02/06/2012
Copyright © 2009 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 OptimizeLatticeForCellType: public API::Algorithm
{
public:
/// Default constructorMatrix
OptimizeLatticeForCellType();
/// Destructor
virtual ~OptimizeLatticeForCellType();
/// Algorithm's name for identification overriding a virtual method
virtual const std::string name() const { return "OptimizeLatticeForCellType"; }
/// Algorithm's version for identification overriding a virtual method
virtual int version() const { return 1; }
/// Algorithm's category for identification overriding a virtual method
virtual const std::string category() const { return "Crystal"; }
/// Call TOFLattice as a Child Algorithm to get statistics of the peaks
double optLattice(std::string inname, std::string cell_type, std::vector<double> & params);
private:
/// Sets documentation strings for this algorithm
virtual void initDocs();
// Overridden Algorithm methods
void init();
void exec();
/// Static reference to the logger class
static Kernel::Logger& g_log;
};
} // namespace Algorithm
} // namespace Mantid
#endif /*MANTID_CRYSTAL_OptimizeLatticeForCellType_H_*/