LoadFullprofResolution.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2013 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/Algorithm.h"
#include "MantidDataHandling/DllConfig.h"
#include "MantidDataObjects/TableWorkspace.h"
 
namespace Poco {
namespace XML {
class Document;
class Element;
} // namespace XML
} // namespace Poco
 
namespace Mantid {
namespace DataHandling {
 
class MANTID_DATAHANDLING_DLL LoadFullprofResolution final : public API::Algorithm {
public:
  const std::string name() const override { return "LoadFullprofResolution"; }
 
  int version() const override { return 1; }
  const std::vector<std::string> seeAlso() const override { return {"LoadFullprofFile"}; }
 
  const std::string category() const override { return "Diffraction\\DataHandling"; }
  const std::string summary() const override {
    return "Load Fullprof's resolution (.irf) file to one or multiple "
           "TableWorkspace(s) and/or where this is supported."
           " See description section, translate fullprof resolution fitting "
           "parameter into Mantid equivalent fitting parameters.";
  }
 
  static void getTableRowNumbers(const API::ITableWorkspace_sptr &tablews, std::map<std::string, size_t> &parammap);
 
  static void putParametersIntoWorkspace(const API::Column_const_sptr &, const API::MatrixWorkspace_sptr &ws, int nProf,
                                         std::string &parameterXMLString);
 
  static void addALFBEParameter(const API::Column_const_sptr &, Poco::XML::Document *mDoc, Poco::XML::Element *parent,
                                const std::string &paramName);
 
  static void addSigmaParameters(const API::Column_const_sptr &, Poco::XML::Document *mDoc, Poco::XML::Element *parent);
 
  static void addGammaParameters(const API::Column_const_sptr &, Poco::XML::Document *mDoc, Poco::XML::Element *parent);
 
  static void addBBX_S_Parameters(const API::Column_const_sptr &, Poco::XML::Document *mDoc,
                                  Poco::XML::Element *parent);
 
  static void addBBX_A_Parameters(const API::Column_const_sptr &, Poco::XML::Document *mDoc,
                                  Poco::XML::Element *parent);
 
  static void addBBX_B_Parameters(const API::Column_const_sptr &, Poco::XML::Document *mDoc,
                                  Poco::XML::Element *parent);
 
  static std::string getXMLEqValue(const API::Column_const_sptr &, const std::string &name);
 
  static std::string getXMLSquaredEqValue(const API::Column_const_sptr &column, const std::string &name);
 
  // Translate a parameter name from as it appears in the table workspace to its
  // name in the XML file
  static std::string getXMLParameterName(const std::string &name);
 
  static void createBankToWorkspaceMap(const std::vector<int> &banks, const std::vector<int> &workspaces,
                                       std::map<int, size_t> &workspaceOfBank);
 
  static std::map<std::string, size_t> m_rowNumbers;
 
private:
  void init() override;
  void exec() override;
 
  void loadFile(const std::string &filename, std::vector<std::string> &lines);
 
  int getProfNumber(const std::vector<std::string> &lines);
 
  void scanBanks(const std::vector<std::string> &lines, const bool useFileBankIDs, std::vector<int> &banks,
                 std::map<int, int> &bankstartindexmap, std::map<int, int> &bankendindexmap);
 
  void parseResolutionStrings(std::map<std::string, double> &parammap, const std::vector<std::string> &lines,
                              const bool useFileBankIDs, int bankid, int startlineindex, int endlineindex,
                              int profNumber);
 
  void parseBankLine(std::string line, double &cwl, int &bankid);
 
  int searchProfile();
 
  void parseProfile9();
 
  void parseProfile10();
 
  double parseDoubleValue(const std::string &value, const std::string &label = std::string());
 
  DataObjects::TableWorkspace_sptr genTableWorkspace(std::map<int, std::map<std::string, double>> bankparammap);
 
  // DataObjects::TableWorkspace_sptr
  // genInfoTableWorkspace(std::vector<int> banks);
  //                              const std::vector<int> &workspaces,
  //                              std::map<int, size_t> &WorkpsaceOfBank);
};
 
} // namespace DataHandling
} // namespace Mantid