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GoniometerAnglesFromPhiRotation.h
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GoniometerAnglesFromPhiRotation.h
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/*
* GoniometerAnglesFromPhiRotation.h
*
* Created on: Apr 15, 2013
* Author: ruth
*/
/**
Finds Goniometer angles for a 2nd run with the same chi and omega rotationa and
only phi rotation changes by a specified amount.
@author Ruth Mikkelson, SNS, ORNL
@date 04/15/2013
Copyright © 2009 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>
*/
#ifndef GoniometerAnglesFromPhiRotation_H_
#define GoniometerAnglesFromPhiRotation_H_
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
#include "MantidDataObjects/PeaksWorkspace.h"
namespace Mantid {
namespace Crystal {
class DLLExport GoniometerAnglesFromPhiRotation : public API::Algorithm {
public:
/// Algorithm's name for identification
const std::string name() const override {
return "GoniometerAnglesFromPhiRotation";
}
/// Summary of algorithms purpose
const std::string summary() const override {
return "The 2nd PeaksWorkspace is set up with the correct sample "
"orientations and UB matrices";
}
/// Algorithm's version for identification
int version() const override { return 1; }
/// Algorithm's category for identification
const std::string category() const override { return "Crystal\\Goniometer"; }
private:
/// Initialise the properties
void init() override;
Kernel::Matrix<double>
getUBRaw(const Kernel::Matrix<double> &UB,
const Kernel::Matrix<double> &GoniometerMatrix) const;
bool CheckForOneRun(const DataObjects::PeaksWorkspace_sptr &Peaks,
Kernel::Matrix<double> &GoniometerMatrix) const;
void IndexRaw(const DataObjects::PeaksWorkspace_sptr &Peaks,
const Kernel::Matrix<double> &UBraw, int &Nindexed,
double &AvErrIndexed, double &AvErrorAll,
double tolerance) const;
/// Run the algorithm
void exec() override;
};
} // Crystal
} // Mantid
#endif /* GoniometerAnglesFromPhiRotation_H_ */