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QENSFitSimultaneous.h
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QENSFitSimultaneous.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2015 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 +
#pragma once
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidCurveFitting/DllConfig.h"
#include "MantidCurveFitting/IFittingAlgorithm.h"
#include "MantidKernel/IValidator.h"
namespace Mantid {
namespace CurveFitting {
namespace Algorithms {
/**
QENSFitSimultaneous - Algorithm for performing a simultaneous QENS fit
*/
class MANTID_CURVEFITTING_DLL QENSFitSimultaneous : public IFittingAlgorithm {
public:
const std::string name() const override;
int version() const override;
const std::string category() const override;
const std::string summary() const override;
const std::vector<std::string> seeAlso() const override;
protected:
virtual std::vector<API::MatrixWorkspace_sptr> getWorkspaces() const;
virtual bool throwIfElasticQConversionFails() const;
virtual bool isFitParameter(const std::string &name) const;
std::set<std::string> getUniqueParameterNames() const;
virtual std::vector<std::string> getFitParameterNames() const;
virtual std::map<std::string, std::string> getAdditionalLogStrings() const;
virtual std::map<std::string, std::string> getAdditionalLogNumbers() const;
virtual API::ITableWorkspace_sptr processParameterTable(API::ITableWorkspace_sptr parameterTable);
private:
void initConcrete() override;
void execConcrete() override;
std::vector<API::MatrixWorkspace_sptr>
convertInputToElasticQ(const std::vector<API::MatrixWorkspace_sptr> &workspaces) const;
std::pair<API::ITableWorkspace_sptr, API::Workspace_sptr>
performFit(const std::vector<API::MatrixWorkspace_sptr> &workspaces, const std::string &output);
API::WorkspaceGroup_sptr processIndirectFitParameters(const API::ITableWorkspace_sptr ¶meterWorkspace,
const std::vector<std::size_t> &grouping);
void copyLogs(const API::WorkspaceGroup_sptr &resultWorkspace,
const std::vector<API::MatrixWorkspace_sptr> &workspaces);
void copyLogs(const API::MatrixWorkspace_sptr &resultWorkspace, const API::WorkspaceGroup_sptr &resultGroup);
void extractMembers(const API::WorkspaceGroup_sptr &resultGroupWs,
const std::vector<API::MatrixWorkspace_sptr> &workspaces, const std::string &outputWsName);
void addAdditionalLogs(const API::WorkspaceGroup_sptr &group);
void addAdditionalLogs(const API::Workspace_sptr &result);
API::IAlgorithm_sptr extractMembersAlgorithm(const API::WorkspaceGroup_sptr &resultGroupWs,
const std::string &outputWsName) const;
std::string getOutputBaseName() const;
std::vector<std::string> getWorkspaceNames() const;
std::vector<std::string> getWorkspaceIndices() const;
void renameWorkspaces(const API::WorkspaceGroup_sptr &outputGroup, std::vector<std::string> const &spectra,
std::string const &outputBaseName, std::string const &endOfSuffix,
std::vector<std::string> const &inputWorkspaceNames);
void renameWorkspaces(const API::WorkspaceGroup_sptr &outputGroup, std::vector<std::string> const &spectra,
std::string const &outputBaseName, std::string const &endOfSuffix);
};
} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid