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ReflectometrySumInQ.h
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ReflectometrySumInQ.h
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#ifndef MANTID_ALGORITHMS_REFLECTOMETRYSUMINQ_H_
#define MANTID_ALGORITHMS_REFLECTOMETRYSUMINQ_H_
#include "MantidAlgorithms/DllConfig.h"
#include "MantidAPI/Algorithm.h"
#include <cmath>
namespace Mantid {
namespace API {
class SpectrumInfo;
}
namespace HistogramData {
class BinEdges;
class Counts;
class CountStandardDeviations;
}
namespace Algorithms {
/** ReflectometrySumInQ : Sum counts from the input workspace in lambda
along lines of constant Q by projecting to "virtual lambda" at a
reference angle.
Copyright © 2018 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 MANTID_ALGORITHMS_DLL ReflectometrySumInQ : public API::Algorithm {
public:
struct Angles {
double horizon{std::numeric_limits<double>::quiet_NaN()};
double twoTheta{std::numeric_limits<double>::quiet_NaN()};
double delta{std::numeric_limits<double>::quiet_NaN()};
};
struct MinMax {
double min{std::numeric_limits<double>::max()};
double max{std::numeric_limits<double>::lowest()};
// Do not add noexcept to defaulted constructor here as this
// causes the constructor to be deleted in clang 6.0.0
// For more see:
// https://stackoverflow.com/questions/46866686/default-member-initializer-needed-within-definition-of-enclosing-class-outside
MinMax() = default;
MinMax(const double a, const double b) noexcept;
void testAndSet(const double a) noexcept;
void testAndSetMax(const double a) noexcept;
void testAndSetMin(const double a) noexcept;
};
const std::string name() const override;
int version() const override;
const std::string category() const override;
const std::string summary() const override;
private:
void init() override;
void exec() override;
std::map<std::string, std::string> validateInputs() override;
API::MatrixWorkspace_sptr
constructIvsLamWS(const API::MatrixWorkspace &detectorWS,
const Indexing::SpectrumIndexSet &indices,
const Angles &refAngles);
MinMax findWavelengthMinMax(const API::MatrixWorkspace &detectorWS,
const Indexing::SpectrumIndexSet &indices,
const Angles &refAngles);
void
processValue(const int inputIdx, const MinMax &twoThetaRange,
const Angles &refAngles,
const Mantid::HistogramData::BinEdges &inputX,
const Mantid::HistogramData::Counts &inputY,
const Mantid::HistogramData::CountStandardDeviations &inputE,
API::MatrixWorkspace &IvsLam, std::vector<double> &outputE);
MinMax projectedLambdaRange(const MinMax &wavelengthRange,
const MinMax &twoThetaRange,
const Angles &refAngles);
Angles referenceAngles(const API::SpectrumInfo &spectrumInfo);
API::MatrixWorkspace_sptr sumInQ(const API::MatrixWorkspace &detectorWS,
const Indexing::SpectrumIndexSet &indices);
};
} // namespace Algorithms
} // namespace Mantid
#endif /* MANTID_ALGORITHMS_REFLECTOMETRYSUMINQ_H_ */