EQSANSLoad.cpp

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 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 +
#include "MantidWorkflowAlgorithms/EQSANSLoad.h"
#include "MantidAPI/AlgorithmProperty.h"
#include "MantidAPI/Axis.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceUnitValidator.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/DetectorInfo.h"
#include "MantidKernel/PropertyManager.h"
#include "MantidKernel/PropertyManagerDataService.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidWorkflowAlgorithms/EQSANSInstrument.h"
 
#include <boost/algorithm/string/trim.hpp>
#include <boost/regex.hpp>
 
#include "Poco/NumberFormatter.h"
#include "Poco/NumberParser.h"
#include "Poco/String.h"
 
#include <filesystem>
#include <fstream>
 
namespace Mantid::WorkflowAlgorithms {
 
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(EQSANSLoad)
 
using namespace Kernel;
using namespace API;
using namespace Geometry;
using namespace DataObjects;
 
void EQSANSLoad::init() {
  declareProperty(std::make_unique<API::FileProperty>("Filename", "", API::FileProperty::OptionalLoad, "_event.nxs"),
                  "The name of the input event Nexus file to load");
 
  auto wsValidator = std::make_shared<WorkspaceUnitValidator>("TOF");
  declareProperty(std::make_unique<WorkspaceProperty<EventWorkspace>>("InputWorkspace", "", Direction::Input,
                                                                      PropertyMode::Optional, wsValidator),
                  "Input event workspace. Assumed to be unmodified events "
                  "straight from LoadEventNexus");
 
  declareProperty(std::make_unique<WorkspaceProperty<>>("OutputWorkspace", "", Direction::Output),
                  "Then name of the output EventWorkspace");
  declareProperty("NoBeamCenter", false, "If true, the detector will not be moved according to the beam center");
  declareProperty("UseConfigBeam", false,
                  "If true, the beam center defined in "
                  "the configuration file will be "
                  "used");
  declareProperty("BeamCenterX", EMPTY_DBL(),
                  "Beam position in X pixel "
                  "coordinates (used only if "
                  "UseConfigBeam is false)");
  declareProperty("BeamCenterY", EMPTY_DBL(),
                  "Beam position in Y pixel "
                  "coordinates (used only if "
                  "UseConfigBeam is false)");
  declareProperty("UseConfigTOFCuts", false,
                  "If true, the edges of the TOF distribution will be cut "
                  "according to the configuration file");
  declareProperty("LowTOFCut", 0.0,
                  "TOF value below which events will not be "
                  "loaded into the workspace at load-time");
  declareProperty("HighTOFCut", 0.0,
                  "TOF value above which events will not be "
                  "loaded into the workspace at load-time");
  declareProperty("SkipTOFCorrection", false, "IF true, the EQSANS TOF correction will be skipped");
  declareProperty("WavelengthStep", 0.1,
                  "Wavelength steps to be used when "
                  "rebinning the data before performing "
                  "the reduction");
  declareProperty("UseConfigMask", false,
                  "If true, the masking information "
                  "found in the configuration file "
                  "will be used");
  declareProperty("UseConfig", true, "If true, the best configuration file found will be used");
  declareProperty("CorrectForFlightPath", false,
                  "If true, the TOF will be modified for the true flight path "
                  "from the sample to the detector pixel");
  declareProperty("PreserveEvents", true, "If true, the output workspace will be an event workspace");
  declareProperty("SampleDetectorDistance", EMPTY_DBL(),
                  "Sample to detector distance to use (overrides meta data), in mm");
  declareProperty("SampleDetectorDistanceOffset", EMPTY_DBL(),
                  "Offset to the sample to detector distance (use only when "
                  "using the distance found in the meta data), in mm");
  declareProperty("SampleOffset", EMPTY_DBL(),
                  "Offset to be applied to the sample position (use only when "
                  "using the detector distance found in the meta data), in mm");
  declareProperty("DetectorOffset", EMPTY_DBL(),
                  "Offset to be applied to the detector position (use only when "
                  "using the distance found in the meta data), in mm");
  declareProperty("LoadMonitors", true, "If true, the monitor workspace will be loaded");
  declareProperty("LoadNexusInstrumentXML", true,
                  "Reads the embedded Instrument XML from the NeXus file "
                  "(optional, default True). ");
  declareProperty("OutputMessage", "", Direction::Output);
  declareProperty("ReductionProperties", "__sans_reduction_properties", Direction::Input);
}
 
double getRunPropertyDbl(const MatrixWorkspace_sptr &inputWS, const std::string &pname) {
  Mantid::Kernel::Property *prop = inputWS->run().getProperty(pname);
  const auto *dp = dynamic_cast<Mantid::Kernel::PropertyWithValue<double> *>(prop);
  if (!dp)
    throw std::runtime_error("Could not cast (interpret) the property " + pname +
                             " as a floating point numeric value.");
  return *dp;
}
 
std::string EQSANSLoad::findConfigFile(const int &run) {
  // Append the standard location of EQSANS config file to the data search
  // directory list
  std::string sns_folder = "/SNS/EQSANS/shared/instrument_configuration";
  if (std::filesystem::exists(sns_folder))
    Kernel::ConfigService::Instance().appendDataSearchDir(sns_folder);
 
  const std::vector<std::string> &searchPaths = Kernel::ConfigService::Instance().getDataSearchDirs();
 
  int max_run_number = 0;
  std::string config_file;
  static boost::regex re1("eqsans_configuration\\.([0-9]+)$");
  boost::smatch matches;
  for (const auto &searchPath : searchPaths) {
    if (std::filesystem::exists(searchPath)) {
      for (const auto &entry : std::filesystem::directory_iterator(searchPath)) {
        std::string filename = entry.path().filename().string();
        if (boost::regex_search(filename, matches, re1)) {
          std::string s = matches[1];
          int run_number = 0;
          Poco::NumberParser::tryParse(s, run_number);
          if (run_number > max_run_number && run_number <= run) {
            max_run_number = run_number;
            config_file = entry.path().string();
          }
        }
      }
    }
  }
  return config_file;
}
 
void EQSANSLoad::readRectangularMasks(const std::string &line) {
  // Looking for rectangular mask
  // Rectangular mask         = 7, 0; 7, 255
  boost::regex re_key("rectangular mask", boost::regex::icase);
  boost::regex re_key_alt("elliptical mask", boost::regex::icase);
  if (boost::regex_search(line, re_key) || boost::regex_search(line, re_key_alt)) {
    boost::regex re_sig("=[ ]*([0-9]+)[ ]*[ ,][ ]*([0-9]+)[ ]*[ ;,][ "
                        "]*([0-9]+)[ ]*[ ,][ ]*([0-9]+)");
    boost::smatch posVec;
    if (boost::regex_search(line, posVec, re_sig)) {
      if (posVec.size() == 5) {
        for (int i = 0; i < 4; i++) {
          std::string num_str = posVec[i + 1];
          m_mask_as_string = m_mask_as_string + " " + num_str;
        }
        m_mask_as_string += ",";
      }
    }
  }
}
 
void EQSANSLoad::readTOFcuts(const std::string &line) {
  boost::regex re_key("tof edge discard", boost::regex::icase);
  if (boost::regex_search(line, re_key)) {
    boost::regex re_sig("=[ ]*([0-9]+)[ ]*[ ,][ ]*([0-9]+)");
    boost::smatch posVec;
    if (boost::regex_search(line, posVec, re_sig)) {
      if (posVec.size() == 3) {
        std::string num_str = posVec[1];
        Poco::NumberParser::tryParseFloat(num_str, m_low_TOF_cut);
        num_str = posVec[2];
        Poco::NumberParser::tryParseFloat(num_str, m_high_TOF_cut);
      }
    }
  }
}
 
void EQSANSLoad::readBeamCenter(const std::string &line) {
  boost::regex re_key("spectrum center", boost::regex::icase);
  if (boost::regex_search(line, re_key)) {
    boost::regex re_sig("=[ ]*([0-9]+.[0-9]*)[ ]*[ ,][ ]*([0-9]+.[0-9]+)");
    boost::smatch posVec;
    if (boost::regex_search(line, posVec, re_sig)) {
      if (posVec.size() == 3) {
        std::string num_str = posVec[1];
        Poco::NumberParser::tryParseFloat(num_str, m_center_x);
        num_str = posVec[2];
        Poco::NumberParser::tryParseFloat(num_str, m_center_y);
      }
    }
  }
}
 
void EQSANSLoad::readModeratorPosition(const std::string &line) {
  boost::regex re_key("sample location", boost::regex::icase);
  if (boost::regex_search(line, re_key)) {
    boost::regex re_sig("=[ ]*([0-9]+)");
    boost::smatch posVec;
    if (boost::regex_search(line, posVec, re_sig)) {
      if (posVec.size() == 2) {
        std::string num_str = posVec[1];
        Poco::NumberParser::tryParseFloat(num_str, m_moderator_position);
        m_moderator_position = -m_moderator_position / 1000.0;
      }
    }
  }
}
 
void EQSANSLoad::readSourceSlitSize(const std::string &line) {
  boost::regex re_key("wheel", boost::regex::icase);
  if (boost::regex_search(line, re_key)) {
    boost::regex re_sig(R"(([1-8]) wheel[ ]*([1-3])[ \t]*=[ \t]*(\w+))");
    boost::smatch posVec;
    if (boost::regex_search(line, posVec, re_sig)) {
      if (posVec.size() == 4) {
        std::string num_str = posVec[1];
        int slit_number = 0;
        Poco::NumberParser::tryParse(num_str, slit_number);
        slit_number--;
 
        num_str = posVec[2];
        int wheel_number = 0;
        Poco::NumberParser::tryParse(num_str, wheel_number);
        wheel_number--;
 
        num_str = posVec[3];
        boost::regex re_size("\\w*?([0-9]+)mm");
        int slit_size = 0;
        if (boost::regex_search(num_str, posVec, re_size)) {
          if (posVec.size() == 2) {
            num_str = posVec[1];
            Poco::NumberParser::tryParse(num_str, slit_size);
          }
        }
        m_slit_positions[wheel_number][slit_number] = slit_size;
      }
    }
  }
}
 
void EQSANSLoad::getSourceSlitSize() {
  if (!dataWS->run().hasProperty("vBeamSlit")) {
    m_output_message += "   Could not determine source aperture diameter: ";
    m_output_message += "slit parameters were not found in the run log\n";
    return;
  }
 
  const std::string slit1Name = "vBeamSlit";
  Mantid::Kernel::Property *prop = dataWS->run().getProperty(slit1Name);
  const auto *dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(prop);
  const auto *ip = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<int> *>(prop);
  int slit1;
  if (dp)
    slit1 = static_cast<int>(dp->getStatistics().mean);
  else if (ip)
    slit1 = static_cast<int>(ip->getStatistics().mean);
  else
    throw std::runtime_error("Could not cast (interpret) the property " + slit1Name +
                             " as a time series property with "
                             "int or floating point values.");
 
  const std::string slit2Name = "vBeamSlit2";
  prop = dataWS->run().getProperty(slit2Name);
  dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(prop);
  ip = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<int> *>(prop);
  int slit2;
  if (dp)
    slit2 = static_cast<int>(dp->getStatistics().mean);
  else if (ip)
    slit2 = static_cast<int>(ip->getStatistics().mean);
  else
    throw std::runtime_error("Could not cast (interpret) the property " + slit2Name +
                             " as a time series property with "
                             "int or floating point values.");
 
  const std::string slit3Name = "vBeamSlit3";
  prop = dataWS->run().getProperty(slit3Name);
  dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(prop);
  ip = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<int> *>(prop);
  int slit3;
  if (dp)
    slit3 = static_cast<int>(dp->getStatistics().mean);
  else if (ip)
    slit3 = static_cast<int>(ip->getStatistics().mean);
  else
    throw std::runtime_error("Could not cast (interpret) the property " + slit3Name +
                             " as a time series property with "
                             "int or floating point values.");
 
  if (slit1 < 0 && slit2 < 0 && slit3 < 0) {
    m_output_message += "   Could not determine source aperture diameter\n";
    return;
  }
 
  // Default slit size
  double S1 = 20.0;
  double L1 = -1.0;
  const double ssd = fabs(dataWS->getInstrument()->getSource()->getPos().Z()) * 1000.0;
  const int slits[3] = {slit1, slit2, slit3};
  for (int i = 0; i < 3; i++) {
    int m = slits[i] - 1;
    if (m >= 0 && m < 6) {
      double x = m_slit_positions[i][m];
      double y = ssd - m_slit_to_source[i];
      if (L1 < 0 || x / y < S1 / L1) {
        L1 = y;
        S1 = x;
      }
    }
  }
  dataWS->mutableRun().addProperty("source-aperture-diameter", S1, "mm", true);
  m_output_message += "   Source aperture diameter: ";
  Poco::NumberFormatter::append(m_output_message, S1, 1);
  m_output_message += " mm\n";
}
 
void EQSANSLoad::moveToBeamCenter() {
  // Check that we have a beam center defined, otherwise set the
  // default beam center
  if (isEmpty(m_center_x) || isEmpty(m_center_y)) {
    EQSANSInstrument::getDefaultBeamCenter(dataWS, m_center_x, m_center_y);
    g_log.information() << "Setting beam center to [" << m_center_x << ", " << m_center_y << "]\n";
    return;
  }
 
  // Check that the center of the detector really is at (0,0)
  int nx_pixels = static_cast<int>(dataWS->getInstrument()->getNumberParameter("number-of-x-pixels")[0]);
  int ny_pixels = static_cast<int>(dataWS->getInstrument()->getNumberParameter("number-of-y-pixels")[0]);
  const auto &detInfo = dataWS->detectorInfo();
  const V3D pixel_first = detInfo.position(detInfo.indexOf(0));
  int detIDx = EQSANSInstrument::getDetectorFromPixel(nx_pixels - 1, 0, dataWS);
  int detIDy = EQSANSInstrument::getDetectorFromPixel(0, ny_pixels - 1, dataWS);
 
  const V3D pixel_last_x = detInfo.position(detInfo.indexOf(detIDx));
  const V3D pixel_last_y = detInfo.position(detInfo.indexOf(detIDy));
  double x_offset = (pixel_first.X() + pixel_last_x.X()) / 2.0;
  double y_offset = (pixel_first.Y() + pixel_last_y.Y()) / 2.0;
  double beam_ctr_x = 0.0;
  double beam_ctr_y = 0.0;
  EQSANSInstrument::getCoordinateFromPixel(m_center_x, m_center_y, dataWS, beam_ctr_x, beam_ctr_y);
 
  auto mvAlg = createChildAlgorithm("MoveInstrumentComponent", 0.5, 0.50);
  mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
  mvAlg->setProperty("ComponentName", "detector1");
  mvAlg->setProperty("X", -x_offset - beam_ctr_x);
  mvAlg->setProperty("Y", -y_offset - beam_ctr_y);
  mvAlg->setProperty("RelativePosition", true);
  mvAlg->executeAsChildAlg();
  m_output_message += "   Beam center offset: " + Poco::NumberFormatter::format(x_offset) + ", " +
                      Poco::NumberFormatter::format(y_offset) + " m\n";
  // m_output_message += "   Beam center in real-space: " +
  // Poco::NumberFormatter::format(-x_offset-beam_ctr_x)
  //    + ", " + Poco::NumberFormatter::format(-y_offset-beam_ctr_y) + " m\n";
  g_log.information() << "Moving beam center to " << m_center_x << " " << m_center_y << '\n';
 
  dataWS->mutableRun().addProperty("beam_center_x", m_center_x, "pixel", true);
  dataWS->mutableRun().addProperty("beam_center_y", m_center_y, "pixel", true);
  m_output_message += "   Beam center: " + Poco::NumberFormatter::format(m_center_x) + ", " +
                      Poco::NumberFormatter::format(m_center_y) + "\n";
}
 
void EQSANSLoad::readConfigFile(const std::string &filePath) {
  // Initialize parameters
  m_mask_as_string = "";
  m_moderator_position = 0;
 
  // The following should be properties
  bool use_config_mask = getProperty("UseConfigMask");
  bool use_config_cutoff = getProperty("UseConfigTOFCuts");
  bool use_config_center = getProperty("UseConfigBeam");
 
  std::ifstream file(filePath.c_str());
  if (!file) {
    g_log.error() << "Unable to open file: " << filePath << '\n';
    throw Exception::FileError("Unable to open file: ", filePath);
  }
  g_log.information() << "Using config file: " << filePath << '\n';
  m_output_message += "   Using configuration file: " + filePath + "\n";
 
  std::string line;
  while (getline(file, line)) {
    boost::trim(line);
    std::string comment = line.substr(0, 1);
    if (Poco::icompare(comment, "#") == 0)
      continue;
    if (use_config_mask)
      readRectangularMasks(line);
    if (use_config_cutoff)
      readTOFcuts(line);
    if (use_config_center)
      readBeamCenter(line);
    readModeratorPosition(line);
    readSourceSlitSize(line);
  }
 
  if (use_config_mask)
    dataWS->mutableRun().addProperty("rectangular_masks", m_mask_as_string, "pixels", true);
 
  dataWS->mutableRun().addProperty("low_tof_cut", m_low_TOF_cut, "microsecond", true);
  dataWS->mutableRun().addProperty("high_tof_cut", m_high_TOF_cut, "microsecond", true);
  m_output_message += "   Discarding lower " + Poco::NumberFormatter::format(m_low_TOF_cut) + " and upper " +
                      Poco::NumberFormatter::format(m_high_TOF_cut) + " microsec\n";
 
  if (m_moderator_position != 0)
    dataWS->mutableRun().addProperty("moderator_position", m_moderator_position, "mm", true);
}
 
void EQSANSLoad::exec() {
  // Verify the validity of the inputs
  // TODO: this should be done by the new data management algorithm used for
  // live data reduction (when it's implemented...)
  const std::string fileName = getPropertyValue("Filename");
  EventWorkspace_sptr inputEventWS = getProperty("InputWorkspace");
  if (fileName.empty() && !inputEventWS) {
    g_log.error() << "EQSANSLoad input error: Either a valid file path or an "
                     "input workspace must be provided\n";
    throw std::runtime_error("EQSANSLoad input error: Either a valid file path "
                             "or an input workspace must be provided");
  } else if (!fileName.empty() && inputEventWS) {
    g_log.error() << "EQSANSLoad input error: Either a valid file path or an "
                     "input workspace must be provided, but not both\n";
    throw std::runtime_error("EQSANSLoad input error: Either a valid file path "
                             "or an input workspace must be provided, but not "
                             "both");
  }
 
  // Read in default TOF cuts
  const bool skipTOFCorrection = getProperty("SkipTOFCorrection");
  m_low_TOF_cut = getProperty("LowTOFCut");
  m_high_TOF_cut = getProperty("HighTOFCut");
 
  // Read in default beam center
  m_center_x = getProperty("BeamCenterX");
  m_center_y = getProperty("BeamCenterY");
  const bool noBeamCenter = getProperty("NoBeamCenter");
 
  // Reduction property manager
  const std::string reductionManagerName = getProperty("ReductionProperties");
  std::shared_ptr<PropertyManager> reductionManager;
  if (PropertyManagerDataService::Instance().doesExist(reductionManagerName)) {
    reductionManager = PropertyManagerDataService::Instance().retrieve(reductionManagerName);
  } else {
    reductionManager = std::make_shared<PropertyManager>();
    PropertyManagerDataService::Instance().addOrReplace(reductionManagerName, reductionManager);
  }
 
  if (!reductionManager->existsProperty("LoadAlgorithm")) {
    auto loadProp = std::make_unique<AlgorithmProperty>("LoadAlgorithm");
    setPropertyValue("InputWorkspace", "");
    setProperty("NoBeamCenter", false);
    loadProp->setValue(toString());
    reductionManager->declareProperty(std::move(loadProp));
  }
 
  if (!reductionManager->existsProperty("InstrumentName"))
    reductionManager->declareProperty(std::make_unique<PropertyWithValue<std::string>>("InstrumentName", "EQSANS"));
 
  // Output log
  m_output_message = "";
 
  // Check whether we need to load the data
  if (!inputEventWS) {
    const bool loadMonitors = getProperty("LoadMonitors");
    const bool loadNexusInstrumentXML = getProperty("LoadNexusInstrumentXML");
    auto loadAlg = createChildAlgorithm("LoadEventNexus", 0, 0.2);
    loadAlg->setProperty("LoadMonitors", loadMonitors);
    loadAlg->setProperty("Filename", fileName);
    loadAlg->setProperty("LoadNexusInstrumentXML", loadNexusInstrumentXML);
    if (skipTOFCorrection) {
      if (m_low_TOF_cut > 0.0)
        loadAlg->setProperty("FilterByTofMin", m_low_TOF_cut);
      if (m_high_TOF_cut > 0.0)
        loadAlg->setProperty("FilterByTofMax", m_high_TOF_cut);
    }
    loadAlg->execute();
    Workspace_sptr dataWS_asWks = loadAlg->getProperty("OutputWorkspace");
    dataWS = std::dynamic_pointer_cast<MatrixWorkspace>(dataWS_asWks);
 
    // Get monitor workspace as necessary
    std::string mon_wsname = getPropertyValue("OutputWorkspace") + "_monitors";
    if (loadMonitors && loadAlg->existsProperty("MonitorWorkspace")) {
      Workspace_sptr monWSOutput = loadAlg->getProperty("MonitorWorkspace");
      MatrixWorkspace_sptr monWS = std::dynamic_pointer_cast<MatrixWorkspace>(monWSOutput);
      if ((monWSOutput) && (!monWS))
        // this was a group workspace - EQSansLoad does not support multi period
        // data yet
        throw Exception::NotImplementedError("The file contains multi period "
                                             "data, support for this is not "
                                             "implemented in EQSANSLoad yet");
      declareProperty(std::make_unique<WorkspaceProperty<>>("MonitorWorkspace", mon_wsname, Direction::Output),
                      "Monitors from the Event NeXus file");
      setProperty("MonitorWorkspace", monWS);
    }
  } else {
    MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
    EventWorkspace_sptr outputEventWS = std::dynamic_pointer_cast<EventWorkspace>(outputWS);
    if (inputEventWS != outputEventWS) {
      auto copyAlg = createChildAlgorithm("CloneWorkspace", 0, 0.2);
      copyAlg->setProperty("InputWorkspace", inputEventWS);
      copyAlg->executeAsChildAlg();
      Workspace_sptr dataWS_asWks = copyAlg->getProperty("OutputWorkspace");
      dataWS = std::dynamic_pointer_cast<MatrixWorkspace>(dataWS_asWks);
    } else {
      dataWS = std::dynamic_pointer_cast<MatrixWorkspace>(inputEventWS);
    }
  }
 
  // Get the sample flange-to-detector distance
  // We have to call it "SampleDetectorDistance" in the workspace
  double sfdd = 0.0;
  double s2d = 0.0;
  const double sampleflange_det_dist = getProperty("SampleDetectorDistance");
  if (!isEmpty(sampleflange_det_dist)) {
    sfdd = sampleflange_det_dist;
  } else {
    if (!dataWS->run().hasProperty("detectorZ")) {
      g_log.error() << "Could not determine Z position: the "
                       "SampleDetectorDistance property was not set "
                       "and the run logs do not contain the detectorZ property\n";
      throw std::invalid_argument("Could not determine Z position: stopping execution");
    }
 
    const std::string dzName = "detectorZ";
    Mantid::Kernel::Property *prop = dataWS->run().getProperty(dzName);
    const auto *dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(prop);
    if (!dp)
      throw std::runtime_error("Could not cast (interpret) the property " + dzName +
                               " as a time series property value.");
    sfdd = dp->getStatistics().mean;
 
    // Modify SDD according to the DetectorDistance offset if given
    const double sampleflange_det_offset = getProperty("DetectorOffset");
    if (!isEmpty(sampleflange_det_offset))
      sfdd += sampleflange_det_offset;
 
    // Modify SDD according to SampleDetectorDistanceOffset offset if given.
    // This is here for backward compatibility.
    const double sample_det_offset = getProperty("SampleDetectorDistanceOffset");
    if (!isEmpty(sample_det_offset))
      sfdd += sample_det_offset;
    if (!isEmpty(sample_det_offset) && !isEmpty(sampleflange_det_offset))
      g_log.error() << "Both DetectorOffset and SampleDetectorDistanceOffset "
                       "are set. Only one should be used.\n";
 
    s2d = sfdd;
    // Modify S2D according to the SampleDistance offset if given
    // This assumes that a positive offset moves the sample toward the detector
    const double sampleflange_sample_offset = getProperty("SampleOffset");
    if (!isEmpty(sampleflange_sample_offset)) {
      s2d -= sampleflange_sample_offset;
 
      // Move the sample to its correct position
      auto mvAlg = createChildAlgorithm("MoveInstrumentComponent", 0.2, 0.4);
      mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
      mvAlg->setProperty("ComponentName", "sample-position");
      mvAlg->setProperty("Z", sampleflange_sample_offset / 1000.0);
      mvAlg->setProperty("RelativePosition", false);
      mvAlg->executeAsChildAlg();
      g_log.information() << "Moving sample to " << sampleflange_sample_offset / 1000.0 << " meters\n";
      m_output_message +=
          "   Sample position: " + Poco::NumberFormatter::format(sampleflange_sample_offset / 1000.0, 3) + " m\n";
    }
  }
  dataWS->mutableRun().addProperty("sampleflange_detector_distance", sfdd, "mm", true);
  dataWS->mutableRun().addProperty("sample_detector_distance", s2d, "mm", true);
 
  // Move the detector to its correct position
  auto mvAlg = createChildAlgorithm("MoveInstrumentComponent", 0.2, 0.4);
  mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
  mvAlg->setProperty("ComponentName", "detector1");
  mvAlg->setProperty("Z", sfdd / 1000.0);
  mvAlg->setProperty("RelativePosition", false);
  mvAlg->executeAsChildAlg();
  g_log.information() << "Moving detector to " << sfdd / 1000.0 << " meters\n";
  m_output_message += "   Detector position: " + Poco::NumberFormatter::format(sfdd / 1000.0, 3) + " m\n";
 
  // Get the run number so we can find the proper config file
  int run_number = 0;
  std::string config_file;
  if (dataWS->run().hasProperty("run_number")) {
    const std::string run_str = dataWS->run().getPropertyValueAsType<std::string>("run_number");
    Poco::NumberParser::tryParse(run_str, run_number);
    // Find a proper config file
    config_file = findConfigFile(run_number);
  } else {
    g_log.error() << "Could not find run number for workspace " << getPropertyValue("OutputWorkspace") << '\n';
    m_output_message += "   Could not find run number for data file\n";
  }
 
  // Process the config file
  bool use_config = getProperty("UseConfig");
  if (use_config && !config_file.empty()) {
    // Special case to force reading the beam center from the config file
    // We're adding this to be compatible with the original EQSANS load
    // written in python
    if (m_center_x == 0.0 && m_center_y == 0.0)
      setProperty("UseConfigBeam", true);
 
    readConfigFile(config_file);
  } else if (use_config) {
    use_config = false;
    g_log.error() << "Cound not find config file for workspace " << getPropertyValue("OutputWorkspace") << '\n';
    m_output_message +=
        "   Could not find configuration file for run " + Poco::NumberFormatter::format(run_number) + "\n";
  }
 
  // If we use the config file, move the moderator position
  if (use_config) {
    if (m_moderator_position > -13.0)
      g_log.error() << "Moderator position seems close to the sample, please check\n";
    g_log.information() << "Moving moderator to " << m_moderator_position << '\n';
    m_output_message += "   Moderator position: " + Poco::NumberFormatter::format(m_moderator_position) + " m\n";
    mvAlg = createChildAlgorithm("MoveInstrumentComponent", 0.4, 0.45);
    mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
    mvAlg->setProperty("ComponentName", "moderator");
    mvAlg->setProperty("Z", m_moderator_position);
    mvAlg->setProperty("RelativePosition", false);
    mvAlg->executeAsChildAlg();
  }
 
  // Get source aperture radius
  getSourceSlitSize();
 
  // Move the beam center to its proper position
  if (!noBeamCenter) {
    if (isEmpty(m_center_x) || isEmpty(m_center_y)) {
      if (reductionManager->existsProperty("LatestBeamCenterX") &&
          reductionManager->existsProperty("LatestBeamCenterY")) {
        m_center_x = reductionManager->getProperty("LatestBeamCenterX");
        m_center_y = reductionManager->getProperty("LatestBeamCenterY");
      }
    }
    moveToBeamCenter();
 
    // Add beam center to reduction properties, as the last beam center position
    // that was used.
    // This will give us our default position next time.
    if (!reductionManager->existsProperty("LatestBeamCenterX"))
      reductionManager->declareProperty(std::make_unique<PropertyWithValue<double>>("LatestBeamCenterX", m_center_x));
    else
      reductionManager->setProperty("LatestBeamCenterX", m_center_x);
    if (!reductionManager->existsProperty("LatestBeamCenterY"))
      reductionManager->declareProperty(std::make_unique<PropertyWithValue<double>>("LatestBeamCenterY", m_center_y));
    else
      reductionManager->setProperty("LatestBeamCenterY", m_center_y);
  }
 
  // Modify TOF
  const bool correct_for_flight_path = getProperty("CorrectForFlightPath");
  double wl_min = 0.0;
  double wl_max;
  double wl_combined_max = 0.0;
  if (skipTOFCorrection) {
    m_output_message += "    Skipping EQSANS TOF correction: assuming a single frame\n";
    dataWS->mutableRun().addProperty("is_frame_skipping", 0, true);
    if (correct_for_flight_path) {
      g_log.error() << "CorrectForFlightPath and SkipTOFCorrection can't be "
                       "set to true at the same time\n";
      m_output_message += "    Skipped flight path correction: see error log\n";
    }
  } else {
    m_output_message += "   Flight path correction ";
    if (!correct_for_flight_path)
      m_output_message += "NOT ";
    m_output_message += "applied\n";
    DataObjects::EventWorkspace_sptr dataWS_evt = std::dynamic_pointer_cast<EventWorkspace>(dataWS);
    auto tofAlg = createChildAlgorithm("EQSANSTofStructure", 0.5, 0.7);
    tofAlg->setProperty<EventWorkspace_sptr>("InputWorkspace", dataWS_evt);
    tofAlg->setProperty("LowTOFCut", m_low_TOF_cut);
    tofAlg->setProperty("HighTOFCut", m_high_TOF_cut);
    tofAlg->setProperty("FlightPathCorrection", correct_for_flight_path);
    tofAlg->executeAsChildAlg();
    wl_min = tofAlg->getProperty("WavelengthMin");
    wl_max = tofAlg->getProperty("WavelengthMax");
    if (wl_min >= wl_max) {
      g_log.error() << "Bad wavelength range\n";
      g_log.error() << m_output_message << '\n';
    }
 
    const bool frame_skipping = tofAlg->getProperty("FrameSkipping");
    dataWS->mutableRun().addProperty("wavelength_min", wl_min, "Angstrom", true);
    dataWS->mutableRun().addProperty("wavelength_max", wl_max, "Angstrom", true);
    dataWS->mutableRun().addProperty("is_frame_skipping", int(frame_skipping), true);
    wl_combined_max = wl_max;
    m_output_message +=
        "   Wavelength range: " + Poco::NumberFormatter::format(wl_min) + " - " + Poco::NumberFormatter::format(wl_max);
    if (frame_skipping) {
      const double wl_min2 = tofAlg->getProperty("WavelengthMinFrame2");
      const double wl_max2 = tofAlg->getProperty("WavelengthMaxFrame2");
      wl_combined_max = wl_max2;
      dataWS->mutableRun().addProperty("wavelength_min_frame2", wl_min2, "Angstrom", true);
      dataWS->mutableRun().addProperty("wavelength_max_frame2", wl_max2, "Angstrom", true);
      m_output_message += " and " + Poco::NumberFormatter::format(wl_min2) + " - " +
                          Poco::NumberFormatter::format(wl_max2) + " Angstrom\n";
    } else
      m_output_message += " Angstrom\n";
  }
 
  // Convert to wavelength
  // Checked on 8/10/17 - changed from "sdd" to "sfdd" as was done above
  // sfdd + ssd gives total distance (corrected by offset) from the source
  const double ssd = fabs(dataWS->getInstrument()->getSource()->getPos().Z()) * 1000.0;
  const double conversion_factor = 3.9560346 / (sfdd + ssd);
  m_output_message +=
      "   TOF to wavelength conversion factor: " + Poco::NumberFormatter::format(conversion_factor) + "\n";
 
  if (skipTOFCorrection) {
    DataObjects::EventWorkspace_sptr dataWS_evt = std::dynamic_pointer_cast<EventWorkspace>(dataWS);
    if (dataWS_evt->getNumberEvents() == 0)
      throw std::invalid_argument("No event to process: check your TOF cuts");
    wl_min = dataWS_evt->getTofMin() * conversion_factor;
    wl_max = dataWS_evt->getTofMax() * conversion_factor;
    wl_combined_max = wl_max;
    g_log.information() << "Wavelength range: " << wl_min << " to " << wl_max << '\n';
    dataWS->mutableRun().addProperty("wavelength_min", wl_min, "Angstrom", true);
    dataWS->mutableRun().addProperty("wavelength_max", wl_max, "Angstrom", true);
  }
 
  auto scAlg = createChildAlgorithm("ScaleX", 0.7, 0.71);
  scAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", dataWS);
  scAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", dataWS);
  scAlg->setProperty("Factor", conversion_factor);
  scAlg->executeAsChildAlg();
  dataWS->getAxis(0)->setUnit("Wavelength");
 
  // Rebin so all the wavelength bins are aligned
  const bool preserveEvents = getProperty("PreserveEvents");
  const double wl_step = getProperty("WavelengthStep");
 
  const double wl_min_rounded = round(wl_min * 100.0) / 100.0;
  const double wl_max_rounded = round(wl_combined_max * 100.0) / 100.0;
  std::string params = Poco::NumberFormatter::format(wl_min_rounded, 2) + "," + Poco::NumberFormatter::format(wl_step) +
                       "," + Poco::NumberFormatter::format(wl_max_rounded, 2);
  g_log.information() << "Rebin parameters: " << params << '\n';
  auto rebinAlg = createChildAlgorithm("Rebin", 0.71, 0.72);
  rebinAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", dataWS);
  if (preserveEvents)
    rebinAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", dataWS);
  rebinAlg->setPropertyValue("Params", params);
  rebinAlg->setProperty("PreserveEvents", preserveEvents);
  rebinAlg->executeAsChildAlg();
 
  if (!preserveEvents)
    dataWS = rebinAlg->getProperty("OutputWorkspace");
 
  dataWS->mutableRun().addProperty("event_ws", getPropertyValue("OutputWorkspace"), true);
  setProperty<MatrixWorkspace_sptr>("OutputWorkspace", std::dynamic_pointer_cast<MatrixWorkspace>(dataWS));
  setPropertyValue("OutputMessage", m_output_message);
}
 
} // namespace Mantid::WorkflowAlgorithms