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 {
 
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 &parameterWorkspace,
                                                        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