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GoniometerAnglesFromPhiRotation.h
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GoniometerAnglesFromPhiRotation.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2009 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 +
/*
* 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
*/
#pragma once
#include "MantidAPI/Algorithm.h"
#include "MantidCrystal/DllConfig.h"
#include "MantidDataObjects/PeaksWorkspace.h"
namespace Mantid {
namespace Crystal {
class MANTID_CRYSTAL_DLL 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; }
const std::vector<std::string> seeAlso() const override {
return {"SetGoniometer"};
}
/// 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;
};
} // namespace Crystal
} // namespace Mantid