예제 #1
0
/**
Determine in the WorkspaceGroup is multiperiod.
* @return True if the WorkspaceGroup instance is multiperiod.
*/
bool WorkspaceGroup::isMultiperiod() const {
  std::lock_guard<std::recursive_mutex> _lock(m_mutex);
  if (m_workspaces.empty()) {
    g_log.debug("Not a multiperiod-group with < 1 nested workspace.");
    return false;
  }
  // Loop through all inner workspaces, checking each one in turn.
  for (const auto &workspace : m_workspaces) {
    if (MatrixWorkspace_sptr ws =
            boost::dynamic_pointer_cast<MatrixWorkspace>(workspace)) {
      try {
        Kernel::Property *nPeriodsProp = ws->run().getLogData("nperiods");
        int num = -1;
        Kernel::Strings::convert(nPeriodsProp->value(), num);
        if (num < 1) {
          g_log.debug("Not a multiperiod-group with nperiods log < 1.");
          return false;
        }
      } catch (Kernel::Exception::NotFoundError &) {
        g_log.debug("Not a multiperiod-group without nperiods log on all "
                    "nested workspaces.");
        return false;
      }
    } else {
      g_log.debug("Not a multiperiod-group unless all inner workspaces are "
                  "Matrix Workspaces.");
      return false;
    }
  }
  return true;
}
예제 #2
0
/** Loads and checks the values passed to the algorithm
*
*  @throw invalid_argument if there is an incapatible property value so the algorithm can't continue
*/
void DetectorEfficiencyCor::retrieveProperties()
{
  // these first three properties are fully checked by validators
  m_inputWS = getProperty("InputWorkspace");
  m_paraMap = &(m_inputWS->instrumentParameters());

  m_Ei = getProperty("IncidentEnergy");
  // If we're not given an Ei, see if one has been set.
  if( m_Ei == EMPTY_DBL() )
  {
    if( m_inputWS->run().hasProperty("Ei") )
    {
      Kernel::Property* eiprop = m_inputWS->run().getProperty("Ei");
      m_Ei = boost::lexical_cast<double>(eiprop->value());
      g_log.debug() << "Using stored Ei value " << m_Ei << "\n";
    }
    else
    {
      throw std::invalid_argument("No Ei value has been set or stored within the run information.");
    }
  }

  m_outputWS = getProperty("OutputWorkspace");
  // If input and output workspaces are not the same, create a new workspace for the output
  if (m_outputWS != m_inputWS )
  {
    m_outputWS = WorkspaceFactory::Instance().create(m_inputWS);
  }
}
예제 #3
0
/**
 * Set up starting values for cached variables
 */
void MDNormDirectSC::cacheInputs() {
  m_inputWS = getProperty("InputWorkspace");
  bool skipCheck = getProperty("SkipSafetyCheck");
  if (!skipCheck && (inputEnergyMode() != "Direct")) {
    throw std::invalid_argument("Invalid energy transfer mode. Algorithm only "
                                "supports direct geometry spectrometers.");
  }
  // Min/max dimension values
  const auto hdim(m_inputWS->getDimension(0)), kdim(m_inputWS->getDimension(1)),
      ldim(m_inputWS->getDimension(2)), edim(m_inputWS->getDimension(3));
  m_hmin = hdim->getMinimum();
  m_kmin = kdim->getMinimum();
  m_lmin = ldim->getMinimum();
  m_dEmin = edim->getMinimum();
  m_hmax = hdim->getMaximum();
  m_kmax = kdim->getMaximum();
  m_lmax = ldim->getMaximum();
  m_dEmax = edim->getMaximum();

  const auto &exptInfoZero = *(m_inputWS->getExperimentInfo(0));
  auto source = exptInfoZero.getInstrument()->getSource();
  auto sample = exptInfoZero.getInstrument()->getSample();
  if (source == nullptr || sample == nullptr) {
    throw Kernel::Exception::InstrumentDefinitionError(
        "Instrument not sufficiently defined: failed to get source and/or "
        "sample");
  }
  m_samplePos = sample->getPos();
  m_beamDir = m_samplePos - source->getPos();
  m_beamDir.normalize();

  double originaldEmin = exptInfoZero.run().getBinBoundaries().front();
  double originaldEmax = exptInfoZero.run().getBinBoundaries().back();
  if (exptInfoZero.run().hasProperty("Ei")) {
    Kernel::Property *eiprop = exptInfoZero.run().getProperty("Ei");
    m_Ei = boost::lexical_cast<double>(eiprop->value());
    if (m_Ei <= 0) {
      throw std::invalid_argument("Ei stored in the workspace is not positive");
    }
  } else {
    throw std::invalid_argument("Could not find Ei value in the workspace.");
  }
  double eps = 1e-7;
  if (m_Ei - originaldEmin < eps) {
    originaldEmin = m_Ei - eps;
  }
  if (m_Ei - originaldEmax < eps) {
    originaldEmax = m_Ei - 1e-7;
  }
  if (originaldEmin == originaldEmax) {
    throw std::runtime_error("The limits of the original workspace used in "
                             "ConvertToMD are incorrect");
  }
  const double energyToK = 8.0 * M_PI * M_PI * PhysicalConstants::NeutronMass *
                           PhysicalConstants::meV * 1e-20 /
                           (PhysicalConstants::h * PhysicalConstants::h);
  m_ki = std::sqrt(energyToK * m_Ei);
  m_kfmin = std::sqrt(energyToK * (m_Ei - originaldEmin));
  m_kfmax = std::sqrt(energyToK * (m_Ei - originaldEmax));
}
예제 #4
0
T ConvertEmptyToTof::getPropertyFromRun(API::MatrixWorkspace_const_sptr inputWS,
                                        const std::string &propertyName) {
  if (inputWS->run().hasProperty(propertyName)) {
    Kernel::Property *prop = inputWS->run().getProperty(propertyName);
    return boost::lexical_cast<T>(prop->value());
  } else {
    std::string mesg =
        "No '" + propertyName + "' property found in the input workspace....";
    throw std::runtime_error(mesg);
  }
}
예제 #5
0
std::string AlgorithmHasProperty::checkValidity(
    const boost::shared_ptr<IAlgorithm> &value) const {
  std::string message;
  if (value->existsProperty(m_propName)) {
    Kernel::Property *p = value->getProperty(m_propName);
    if (!p->isValid().empty()) {
      message = "Algorithm object contains the required property \"" +
                m_propName + "\" but it has an invalid value: " + p->value();
    }
  } else {
    message = "Algorithm object does not have the required property \"" +
              m_propName + "\"";
  }

  return message;
}
예제 #6
0
TimeAtSampleStrategy *FilterEvents::setupDirectTOFCorrection() const {

  // Get incident energy Ei
  double ei = 0.;
  if (m_eventWS->run().hasProperty("Ei")) {
    Kernel::Property *eiprop = m_eventWS->run().getProperty("Ei");
    ei = boost::lexical_cast<double>(eiprop->value());
    g_log.debug() << "Using stored Ei value " << ei << "\n";
  } else {
    ei = getProperty("IncidentEnergy");
    if (isEmpty(ei))
      throw std::invalid_argument(
          "No Ei value has been set or stored within the run information.");
    g_log.debug() << "Using user-input Ei value " << ei << "\n";
  }

  return new TimeAtSampleStrategyDirect(m_eventWS, ei);
}
예제 #7
0
/** This method creates an XML element named "Run"
 *  @param sasRun :: string for run element in the xml
 */
void SaveCanSAS1D::createSASRunElement(std::string& sasRun)
{
  //initialise the run number to an empty string, this may or may not be changed later
  std::string run;
  if( m_workspace->run().hasProperty("run_number") )
  {
    Kernel::Property *logP = m_workspace->run().getLogData("run_number");
    run = logP->value();
  }
  else
  {
    g_log.debug() << "Didn't find RunNumber log in workspace. Writing <Run></Run> to the CANSAS file\n";
  }

  searchandreplaceSpecialChars(run);

  sasRun="\n\t\t<Run>";
  sasRun+=run;
  sasRun+="</Run>";
}
예제 #8
0
파일: SaveGSS.cpp 프로젝트: nimgould/mantid
/** Write value from a RunInfo property (i.e., log) to a stream
    */
void writeLogValue(std::ostream &os, const Run &runinfo,
                   const std::string &name,
                   const std::string &defValue = "UNKNOWN") {
  // Return without property exists
  if (!runinfo.hasProperty(name)) {
    os << defValue;
    return;
  }

  // Get handler of property
  Kernel::Property *prop = runinfo.getProperty(name);

  // Return without a valid pointer to property
  if (prop == NULL) {
    os << defValue;
    return;
  }

  // Get value
  Kernel::TimeSeriesProperty<double> *log =
      dynamic_cast<Kernel::TimeSeriesProperty<double> *>(prop);
  if (log) {
    // Time series to get mean
    os << log->getStatistics().mean;
  } else {
    // None time series
    os << prop->value();
  }

  // Unit
  std::string units = prop->units();
  if (!units.empty())
    os << " " << units;

  return;
}
/** Execute the algorithm.
 */
void ConvertToDiffractionMDWorkspace::exec() {
  Timer tim, timtotal;
  CPUTimer cputim, cputimtotal;

  // ---------------------- Extract properties
  // --------------------------------------
  ClearInputWorkspace = getProperty("ClearInputWorkspace");
  Append = getProperty("Append");
  std::string OutputDimensions = getPropertyValue("OutputDimensions");
  LorentzCorrection = getProperty("LorentzCorrection");
  OneEventPerBin = getProperty("OneEventPerBin");

  // -------- Input workspace -> convert to Event
  // ------------------------------------
  m_inWS = getProperty("InputWorkspace");
  Workspace2D_sptr m_InWS2D = boost::dynamic_pointer_cast<Workspace2D>(m_inWS);
  if (LorentzCorrection) {
    API::Run &run = m_inWS->mutableRun();
    if (run.hasProperty("LorentzCorrection")) {
      Kernel::Property *prop = run.getProperty("LorentzCorrection");
      bool lorentzDone = boost::lexical_cast<bool, std::string>(prop->value());
      if (lorentzDone) {
        LorentzCorrection = false;
        g_log.warning() << "Lorentz Correction was already done for this "
                           "workspace.  LorentzCorrection was changed to false."
                        << std::endl;
      }
    }
  }

  m_inEventWS = boost::dynamic_pointer_cast<EventWorkspace>(m_inWS);

  // check the input units
  if (m_inWS->getAxis(0)->unit()->unitID() != "TOF")
    throw std::invalid_argument(
        "Input event workspace's X axis must be in TOF units.");

  // Try to get the output workspace
  IMDEventWorkspace_sptr i_out = getProperty("OutputWorkspace");
  ws = boost::dynamic_pointer_cast<
      DataObjects::MDEventWorkspace<DataObjects::MDLeanEvent<3>, 3>>(i_out);

  // Initalize the matrix to 3x3 identity
  mat = Kernel::Matrix<double>(3, 3, true);

  // ----------------- Handle the type of output
  // -------------------------------------

  std::string dimensionNames[3] = {"Q_lab_x", "Q_lab_y", "Q_lab_z"};
  Mantid::Kernel::SpecialCoordinateSystem coordinateSystem =
      Mantid::Kernel::QLab;

  // Setup the MDFrame
  auto frameFactory = makeMDFrameFactoryChain();
  Mantid::Geometry::MDFrame_uptr frame;

  if (OutputDimensions == "Q (sample frame)") {
    // Set the matrix based on goniometer angles
    mat = m_inWS->mutableRun().getGoniometerMatrix();
    // But we need to invert it, since we want to get the Q in the sample frame.
    mat.Invert();
    // Names
    dimensionNames[0] = "Q_sample_x";
    dimensionNames[1] = "Q_sample_y";
    dimensionNames[2] = "Q_sample_z";
    coordinateSystem = Mantid::Kernel::QSample;
    // Frame
    MDFrameArgument frameArgQSample(QSample::QSampleName, "");
    frame = frameFactory->create(frameArgQSample);

  } else if (OutputDimensions == "HKL") {
    // Set the matrix based on UB etc.
    Kernel::Matrix<double> ub =
        m_inWS->mutableSample().getOrientedLattice().getUB();
    Kernel::Matrix<double> gon = m_inWS->mutableRun().getGoniometerMatrix();
    // As per Busing and Levy 1967, q_lab_frame = 2pi * Goniometer * UB * HKL
    // Therefore, HKL = (2*pi * Goniometer * UB)^-1 * q_lab_frame
    mat = gon * ub;
    mat.Invert();
    // Divide by 2 PI to account for our new convention, |Q| = 2pi / wl
    // (December 2011, JZ)
    mat /= (2 * M_PI);
    dimensionNames[0] = "H";
    dimensionNames[1] = "K";
    dimensionNames[2] = "L";
    coordinateSystem = Mantid::Kernel::HKL;
    MDFrameArgument frameArgQLab(HKL::HKLName, Units::Symbol::RLU.ascii());
    frame = frameFactory->create(frameArgQLab);
  } else {
    MDFrameArgument frameArgQLab(QLab::QLabName, "");
    frame = frameFactory->create(frameArgQLab);
  }
  // Q in the lab frame is the default, so nothing special to do.

  if (ws && Append) {
    // Check that existing workspace dimensions make sense with the desired one
    // (using the name)
    if (ws->getDimension(0)->getName() != dimensionNames[0])
      throw std::runtime_error("The existing MDEventWorkspace " +
                               ws->getName() +
                               " has different dimensions than were requested! "
                               "Either give a different name for the output, "
                               "or change the OutputDimensions parameter.");
  }

  // ------------------- Create the output workspace if needed
  // ------------------------
  if (!ws || !Append) {
    // Create an output workspace with 3 dimensions.
    size_t nd = 3;
    i_out = DataObjects::MDEventFactory::CreateMDWorkspace(nd, "MDLeanEvent");
    ws = boost::dynamic_pointer_cast<DataObjects::MDEventWorkspace3Lean>(i_out);

    // ---------------- Get the extents -------------
    std::vector<double> extents = getProperty("Extents");
    // Replicate a single min,max into several
    if (extents.size() == 2) {
      for (size_t d = 1; d < nd; d++) {
        extents.push_back(extents[0]);
        extents.push_back(extents[1]);
      }
    }
    if (extents.size() != nd * 2)
      throw std::invalid_argument(
          "You must specify either 2 or 6 extents (min,max).");

    // Give all the dimensions
    for (size_t d = 0; d < nd; d++) {
      MDHistoDimension *dim =
          new MDHistoDimension(dimensionNames[d], dimensionNames[d], *frame,
                               static_cast<coord_t>(extents[d * 2]),
                               static_cast<coord_t>(extents[d * 2 + 1]), 10);
      ws->addDimension(MDHistoDimension_sptr(dim));
    }
    ws->initialize();

    // Build up the box controller, using the properties in
    // BoxControllerSettingsAlgorithm
    BoxController_sptr bc = ws->getBoxController();
    this->setBoxController(bc, m_inWS->getInstrument());
    // We always want the box to be split (it will reject bad ones)
    ws->splitBox();

    // Perform minimum recursion depth splitting
    int minDepth = this->getProperty("MinRecursionDepth");
    int maxDepth = this->getProperty("MaxRecursionDepth");
    if (minDepth > maxDepth)
      throw std::invalid_argument(
          "MinRecursionDepth must be <= MaxRecursionDepth ");
    ws->setMinRecursionDepth(size_t(minDepth));
  }

  ws->splitBox();

  if (!ws)
    throw std::runtime_error("Error creating a 3D MDEventWorkspace!");

  BoxController_sptr bc = ws->getBoxController();
  if (!bc)
    throw std::runtime_error(
        "Output MDEventWorkspace does not have a BoxController!");

  // Cache the extents for speed.
  m_extentsMin = new coord_t[3];
  m_extentsMax = new coord_t[3];
  for (size_t d = 0; d < 3; d++) {
    m_extentsMin[d] = ws->getDimension(d)->getMinimum();
    m_extentsMax[d] = ws->getDimension(d)->getMaximum();
  }

  // Copy ExperimentInfo (instrument, run, sample) to the output WS
  ExperimentInfo_sptr ei(m_inWS->cloneExperimentInfo());
  uint16_t runIndex = ws->addExperimentInfo(ei);
  UNUSED_ARG(runIndex);

  // ------------------- Cache values that are common for all
  // ---------------------------
  // Extract some parameters global to the instrument
  m_inWS->getInstrument()->getInstrumentParameters(l1, beamline, beamline_norm,
                                                   samplePos);
  beamline_norm = beamline.norm();
  beamDir = beamline / beamline.norm();

  // To get all the detector ID's
  m_inWS->getInstrument()->getDetectors(allDetectors);

  // Estimate the number of events in the final workspace
  size_t totalEvents = m_inWS->size();
  if (m_inEventWS && !OneEventPerBin)
    totalEvents = m_inEventWS->getNumberEvents();
  prog = boost::make_shared<Progress>(this, 0, 1.0, totalEvents);

  // Is the addition of events thread-safe?
  bool MultiThreadedAdding = m_inWS->threadSafe();

  // Create the thread pool that will run all of these.
  ThreadScheduler *ts = new ThreadSchedulerFIFO();
  ThreadPool tp(ts, 0);

  // To track when to split up boxes
  this->failedDetectorLookupCount = 0;
  size_t eventsAdded = 0;
  size_t approxEventsInOutput = 0;
  size_t lastNumBoxes = ws->getBoxController()->getTotalNumMDBoxes();
  if (DODEBUG)
    g_log.information() << cputim << ": initial setup. There are "
                        << lastNumBoxes << " MDBoxes.\n";

  for (size_t wi = 0; wi < m_inWS->getNumberHistograms(); wi++) {
    // Get an idea of how many events we'll be adding
    size_t eventsAdding = m_inWS->blocksize();
    if (m_inEventWS && !OneEventPerBin)
      eventsAdding = m_inEventWS->getEventList(wi).getNumberEvents();

    if (MultiThreadedAdding) {
      // Equivalent to calling "this->convertSpectrum(wi)"
      boost::function<void()> func =
          boost::bind(&ConvertToDiffractionMDWorkspace::convertSpectrum, &*this,
                      static_cast<int>(wi));
      // Give this task to the scheduler
      double cost = static_cast<double>(eventsAdding);
      ts->push(new FunctionTask(func, cost));
    } else {
      // Not thread-safe. Just add right now
      this->convertSpectrum(static_cast<int>(wi));
    }

    // Keep a running total of how many events we've added
    eventsAdded += eventsAdding;
    approxEventsInOutput += eventsAdding;

    if (bc->shouldSplitBoxes(approxEventsInOutput, eventsAdded, lastNumBoxes)) {
      if (DODEBUG)
        g_log.information() << cputim << ": Added tasks worth " << eventsAdded
                            << " events. WorkspaceIndex " << wi << std::endl;
      // Do all the adding tasks
      tp.joinAll();
      if (DODEBUG)
        g_log.information() << cputim
                            << ": Performing the addition of these events.\n";

      // Now do all the splitting tasks
      ws->splitAllIfNeeded(ts);
      if (ts->size() > 0)
        prog->doReport("Splitting Boxes");
      tp.joinAll();

      // Count the new # of boxes.
      lastNumBoxes = ws->getBoxController()->getTotalNumMDBoxes();
      if (DODEBUG)
        g_log.information() << cputim
                            << ": Performing the splitting. There are now "
                            << lastNumBoxes << " boxes.\n";
      eventsAdded = 0;
    }
  }

  if (this->failedDetectorLookupCount > 0) {
    if (this->failedDetectorLookupCount == 1)
      g_log.warning() << "Unable to find a detector for "
                      << this->failedDetectorLookupCount
                      << " spectrum. It has been skipped." << std::endl;
    else
      g_log.warning() << "Unable to find detectors for "
                      << this->failedDetectorLookupCount
                      << " spectra. They have been skipped." << std::endl;
  }

  if (DODEBUG)
    g_log.information() << cputim << ": We've added tasks worth " << eventsAdded
                        << " events.\n";

  tp.joinAll();
  if (DODEBUG)
    g_log.information() << cputim
                        << ": Performing the FINAL addition of these events.\n";

  // Do a final splitting of everything
  ws->splitAllIfNeeded(ts);
  tp.joinAll();
  if (DODEBUG)
    g_log.information()
        << cputim << ": Performing the FINAL splitting of boxes. There are now "
        << ws->getBoxController()->getTotalNumMDBoxes() << " boxes\n";

  // Recount totals at the end.
  cputim.reset();
  ws->refreshCache();
  if (DODEBUG)
    g_log.information() << cputim << ": Performing the refreshCache().\n";

  // TODO: Centroid in parallel, maybe?
  // ws->getBox()->refreshCentroid(NULL);
  // if (DODEBUG) g_log.information() << cputim << ": Performing the
  // refreshCentroid().\n";

  if (DODEBUG) {
    g_log.information() << "Workspace has " << ws->getNPoints()
                        << " events. This took " << cputimtotal
                        << " in total.\n";
    std::vector<std::string> stats = ws->getBoxControllerStats();
    for (auto &stat : stats)
      g_log.information() << stat << "\n";
    g_log.information() << std::endl;
  }

  // Set the special coordinate system.
  ws->setCoordinateSystem(coordinateSystem);

  // Save the output
  setProperty("OutputWorkspace",
              boost::dynamic_pointer_cast<IMDEventWorkspace>(ws));

  // Clean up
  delete[] m_extentsMin;
  delete[] m_extentsMax;
}
예제 #10
0
파일: SaveGSS.cpp 프로젝트: nimgould/mantid
/** Write the header information, which is independent of bank, from the given
 * workspace
   * @param format :: The string containing the header formatting
   * @param os :: The stream to use to write the information
   * @param primaryflightpath :: Value for the moderator to sample distance
   */
void SaveGSS::writeHeaders(const std::string &format, std::stringstream &os,
                           double primaryflightpath) const {
  const Run &runinfo = inputWS->run();

  // Run number
  if (format.compare(SLOG) == 0) {
    os << "Sample Run: ";
    writeLogValue(os, runinfo, "run_number");
    os << " Vanadium Run: ";
    writeLogValue(os, runinfo, "van_number");
    os << " Wavelength: ";
    writeLogValue(os, runinfo, "LambdaRequest");
    os << "\n";
  }

  if (this->getProperty("ExtendedHeader")) {
    // the instrument parameter file
    if (runinfo.hasProperty("iparm_file")) {
      Kernel::Property *prop = runinfo.getProperty("iparm_file");
      if (prop != NULL && (!prop->value().empty())) {
        std::stringstream line;
        line << "#Instrument parameter file: " << prop->value();
        os << std::setw(80) << std::left << line.str() << "\n";
      }
    }

    // write out the gsas monitor counts
    os << "Monitor: ";
    if (runinfo.hasProperty("gsas_monitor")) {
      writeLogValue(os, runinfo, "gsas_monitor");
    } else {
      writeLogValue(os, runinfo, "gd_prtn_chrg", "1");
    }
    os << "\n";
  }

  if (format.compare(SLOG) == 0) {
    os << "# "; // make the next line a comment
  }
  os << inputWS->getTitle() << "\n";
  os << "# " << inputWS->getNumberHistograms() << " Histograms\n";
  os << "# File generated by Mantid:\n";
  os << "# Instrument: " << inputWS->getInstrument()->getName() << "\n";
  os << "# From workspace named : " << inputWS->getName() << "\n";
  if (getProperty("MultiplyByBinWidth"))
    os << "# with Y multiplied by the bin widths.\n";
  os << "# Primary flight path " << primaryflightpath << "m \n";
  if (format.compare(SLOG) == 0) {
    os << "# Sample Temperature: ";
    writeLogValue(os, runinfo, "SampleTemp");
    os << " Freq: ";
    writeLogValue(os, runinfo, "SpeedRequest1");
    os << " Guide: ";
    writeLogValue(os, runinfo, "guide");
    os << "\n";

    // print whether it is normalized by monitor or pcharge
    bool norm_by_current = false;
    bool norm_by_monitor = false;
    const Mantid::API::AlgorithmHistories &algohist =
        inputWS->getHistory().getAlgorithmHistories();
    for (Mantid::API::AlgorithmHistories::const_iterator it = algohist.begin();
         it != algohist.end(); ++it) {
      if ((*it)->name().compare("NormaliseByCurrent") == 0)
        norm_by_current = true;
      if ((*it)->name().compare("NormaliseToMonitor") == 0)
        norm_by_monitor = true;
    }
    os << "#";
    if (norm_by_current)
      os << " Normalised to pCharge";
    if (norm_by_monitor)
      os << " Normalised to monitor";
    os << "\n";
  }

  return;
}
예제 #11
0
void CorrectKiKf::execEvent()
{
  g_log.information("Processing event workspace");

  const MatrixWorkspace_const_sptr matrixInputWS = this->getProperty("InputWorkspace");
  EventWorkspace_const_sptr inputWS= boost::dynamic_pointer_cast<const EventWorkspace>(matrixInputWS);

  // generate the output workspace pointer
  API::MatrixWorkspace_sptr matrixOutputWS = this->getProperty("OutputWorkspace");
  EventWorkspace_sptr outputWS;
  if (matrixOutputWS == matrixInputWS)
    outputWS = boost::dynamic_pointer_cast<EventWorkspace>(matrixOutputWS);
  else
  {
    //Make a brand new EventWorkspace
    outputWS = boost::dynamic_pointer_cast<EventWorkspace>(
            API::WorkspaceFactory::Instance().create("EventWorkspace", inputWS->getNumberHistograms(), 2, 1));
    //Copy geometry over.
    API::WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS, false);
    //You need to copy over the data as well.
    outputWS->copyDataFrom( (*inputWS) );

    //Cast to the matrixOutputWS and save it
    matrixOutputWS = boost::dynamic_pointer_cast<MatrixWorkspace>(outputWS);
    this->setProperty("OutputWorkspace", matrixOutputWS);
  }

  const std::string emodeStr = getProperty("EMode");
  double efixedProp = getProperty("EFixed"),efixed;

  if( efixedProp == EMPTY_DBL() )
  {
    if (emodeStr == "Direct")
    {
      // Check if it has been store on the run object for this workspace
      if( this->inputWS->run().hasProperty("Ei"))
      {
        Kernel::Property* eiprop = this->inputWS->run().getProperty("Ei");
        efixedProp = boost::lexical_cast<double>(eiprop->value());
        g_log.debug() << "Using stored Ei value " << efixedProp << "\n";
      }
      else
      {
        throw std::invalid_argument("No Ei value has been set or stored within the run information.");
      }
    }
    else
    {
      // If not specified, will try to get Ef from the parameter file for indirect geometry, 
      // but it will be done for each spectrum separately, in case of different analyzer crystals
    }
  }

  // Get the parameter map
  const ParameterMap& pmap = outputWS->constInstrumentParameters();

  int64_t numHistograms = static_cast<int64_t>(inputWS->getNumberHistograms());
  API::Progress prog = API::Progress(this, 0.0, 1.0, numHistograms);
  PARALLEL_FOR1(outputWS)
  for (int64_t i=0; i < numHistograms; ++i)
  {
    PARALLEL_START_INTERUPT_REGION
    
    double Efi = 0;
    // Now get the detector object for this histogram to check if monitor
    // or to get Ef for indirect geometry
    if (emodeStr == "Indirect") 
    {
      if ( efixedProp != EMPTY_DBL()) Efi = efixedProp;
      else try 
      {
        IDetector_const_sptr det = inputWS->getDetector(i);
        if (!det->isMonitor())
        {
            try
            {
              Parameter_sptr par = pmap.getRecursive(det.get(),"Efixed");
              if (par)
              {
                Efi = par->value<double>();
                g_log.debug() << "Detector: " << det->getID() << " EFixed: " << Efi << "\n";
              }
            }
            catch (std::runtime_error&) { /* Throws if a DetectorGroup, use single provided value */ }
        }

      }
      catch(std::runtime_error&) { g_log.information() << "Workspace Index " << i << ": cannot find detector" << "\n"; }
    }

    if (emodeStr == "Indirect") efixed=Efi;
    else efixed=efixedProp;

    //Do the correction
		EventList *evlist=outputWS->getEventListPtr(i);
    switch (evlist->getEventType())
    {
      case TOF:
        //Switch to weights if needed.
        evlist->switchTo(WEIGHTED);
        /* no break */
        // Fall through
  
      case WEIGHTED:
        correctKiKfEventHelper(evlist->getWeightedEvents(), efixed,emodeStr);
        break;
  
      case WEIGHTED_NOTIME:
        correctKiKfEventHelper(evlist->getWeightedEventsNoTime(), efixed,emodeStr);
        break;
    }


    prog.report();
    PARALLEL_END_INTERUPT_REGION
  }
  PARALLEL_CHECK_INTERUPT_REGION

  outputWS->clearMRU();
  if (inputWS->getNumberEvents( ) != outputWS->getNumberEvents( ))
  {
    g_log.information() <<"Ef <= 0 or Ei <= 0 for "<<inputWS->getNumberEvents( )-outputWS->getNumberEvents( )<<" events, out of "<<inputWS->getNumberEvents( )<<std::endl;
    if ( efixedProp == EMPTY_DBL()) g_log.information()<<"Try to set fixed energy"<<std::endl ;
  }
}
예제 #12
0
void ModeratorTzero::execEvent(const std::string &emode) {
  g_log.information("Processing event workspace");

  const MatrixWorkspace_const_sptr matrixInputWS =
      getProperty("InputWorkspace");
  EventWorkspace_const_sptr inputWS =
      boost::dynamic_pointer_cast<const EventWorkspace>(matrixInputWS);

  // generate the output workspace pointer
  const size_t numHists = static_cast<size_t>(inputWS->getNumberHistograms());
  Mantid::API::MatrixWorkspace_sptr matrixOutputWS =
      getProperty("OutputWorkspace");
  EventWorkspace_sptr outputWS;
  if (matrixOutputWS == matrixInputWS) {
    outputWS = boost::dynamic_pointer_cast<EventWorkspace>(matrixOutputWS);
  } else {
    // Make a brand new EventWorkspace
    outputWS = boost::dynamic_pointer_cast<EventWorkspace>(
        WorkspaceFactory::Instance().create("EventWorkspace", numHists, 2, 1));
    // Copy geometry over.
    WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS, false);
    // You need to copy over the data as well.
    outputWS->copyDataFrom((*inputWS));
    // Cast to the matrixOutputWS and save it
    matrixOutputWS = boost::dynamic_pointer_cast<MatrixWorkspace>(outputWS);
    setProperty("OutputWorkspace", matrixOutputWS);
  }

  // Get pointers to sample and source
  IComponent_const_sptr source = m_instrument->getSource();
  IComponent_const_sptr sample = m_instrument->getSample();
  double Lss = source->getDistance(*sample); // distance from source to sample

  // calculate tof shift once for all neutrons if emode==Direct
  double t0_direct(-1);
  if (emode == "Direct") {
    Kernel::Property *eiprop = inputWS->run().getProperty("Ei");
    double Ei = boost::lexical_cast<double>(eiprop->value());
    mu::Parser parser;
    parser.DefineVar("incidentEnergy", &Ei); // associate E1 to this parser
    parser.SetExpr(m_formula);
    t0_direct = parser.Eval();
  }

  // Loop over the spectra
  Progress prog(this, 0.0, 1.0, numHists); // report progress of algorithm
  PARALLEL_FOR1(outputWS)
  for (int i = 0; i < static_cast<int>(numHists); ++i) {
    PARALLEL_START_INTERUPT_REGION
    size_t wsIndex = static_cast<size_t>(i);
    EventList &evlist = outputWS->getEventList(wsIndex);
    if (evlist.getNumberEvents() > 0) // don't bother with empty lists
    {
      IDetector_const_sptr det;
      double L1(Lss); // distance from source to sample
      double L2(-1);  // distance from sample to detector

      try {
        det = inputWS->getDetector(i);
        if (det->isMonitor()) {
          // redefine the sample as the monitor
          L1 = source->getDistance(*det);
          L2 = 0;
        } else {
          L2 = sample->getDistance(*det);
        }
      } catch (Exception::NotFoundError &) {
        g_log.error() << "Unable to calculate distances to/from detector" << i
                      << std::endl;
      }

      if (L2 >= 0) {
        // One parser for each parallel processor needed (except Edirect mode)
        double E1;
        mu::Parser parser;
        parser.DefineVar("incidentEnergy", &E1); // associate E1 to this parser
        parser.SetExpr(m_formula);

        // fast neutrons are shifted by min_t0_next, irrespective of tof
        double v1_max = L1 / m_t1min;
        E1 = m_convfactor * v1_max * v1_max;
        double min_t0_next = parser.Eval();

        if (emode == "Indirect") {
          double t2(-1.0); // time from sample to detector. (-1) signals error
          if (det->isMonitor()) {
            t2 = 0.0;
          } else {
            static const double convFact =
                1.0e-6 * sqrt(2 * PhysicalConstants::meV /
                              PhysicalConstants::NeutronMass);
            std::vector<double> wsProp = det->getNumberParameter("Efixed");
            if (!wsProp.empty()) {
              double E2 = wsProp.at(0);        //[E2]=meV
              double v2 = convFact * sqrt(E2); //[v2]=meter/microsec
              t2 = L2 / v2;
            } else {
              // t2 is kept to -1 if no Efixed is found
              g_log.debug() << "Efixed not found for detector " << i
                            << std::endl;
            }
          }
          if (t2 >= 0) // t2 < 0 when no detector info is available
          {
            // fix the histogram bins
            MantidVec &x = evlist.dataX();
            for (double &tof : x) {
              if (tof < m_t1min + t2)
                tof -= min_t0_next;
              else
                tof -= CalculateT0indirect(tof, L1, t2, E1, parser);
            }

            MantidVec tofs = evlist.getTofs();
            for (double &tof : tofs) {
              if (tof < m_t1min + t2)
                tof -= min_t0_next;
              else
                tof -= CalculateT0indirect(tof, L1, t2, E1, parser);
            }
            evlist.setTofs(tofs);
            evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
          } // end of if( t2>= 0)
        }   // end of if(emode=="Indirect")
        else if (emode == "Elastic") {
          // Apply t0 correction to histogram bins
          MantidVec &x = evlist.dataX();
          for (double &tof : x) {
            if (tof < m_t1min * (L1 + L2) / L1)
              tof -= min_t0_next;
            else
              tof -= CalculateT0elastic(tof, L1 + L2, E1, parser);
          }

          MantidVec tofs = evlist.getTofs();
          for (double &tof : tofs) {
            // add a [-0.1,0.1] microsecond noise to avoid artifacts
            // resulting from original tof data
            if (tof < m_t1min * (L1 + L2) / L1)
              tof -= min_t0_next;
            else
              tof -= CalculateT0elastic(tof, L1 + L2, E1, parser);
          }
          evlist.setTofs(tofs);
          evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);

          MantidVec tofs_b = evlist.getTofs();
          MantidVec xarray = evlist.readX();
        } // end of else if(emode=="Elastic")
        else if (emode == "Direct") {
          // fix the histogram bins
          MantidVec &x = evlist.dataX();
          for (double &tof : x) {
            tof -= t0_direct;
          }

          MantidVec tofs = evlist.getTofs();
          for (double &tof : tofs) {
            tof -= t0_direct;
          }
          evlist.setTofs(tofs);
          evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
        } // end of else if(emode=="Direct")
      }   // end of if(L2 >= 0)
    }     // end of if (evlist.getNumberEvents() > 0)
    prog.report();
    PARALLEL_END_INTERUPT_REGION
  } // end of for (int i = 0; i < static_cast<int>(numHists); ++i)
  PARALLEL_CHECK_INTERUPT_REGION
  outputWS->clearMRU(); // Clears the Most Recent Used lists */
} // end of void ModeratorTzero::execEvent()
예제 #13
0
void ModeratorTzero::execEvent(const std::string &emode) {
  g_log.information("Processing event workspace");

  const MatrixWorkspace_const_sptr matrixInputWS =
      getProperty("InputWorkspace");

  // generate the output workspace pointer
  API::MatrixWorkspace_sptr matrixOutputWS = getProperty("OutputWorkspace");
  if (matrixOutputWS != matrixInputWS) {
    matrixOutputWS = matrixInputWS->clone();
    setProperty("OutputWorkspace", matrixOutputWS);
  }
  auto outputWS = boost::dynamic_pointer_cast<EventWorkspace>(matrixOutputWS);

  // calculate tof shift once for all neutrons if emode==Direct
  double t0_direct(-1);
  if (emode == "Direct") {
    Kernel::Property *eiprop = outputWS->run().getProperty("Ei");
    double Ei = boost::lexical_cast<double>(eiprop->value());
    mu::Parser parser;
    parser.DefineVar("incidentEnergy", &Ei); // associate E1 to this parser
    parser.SetExpr(m_formula);
    t0_direct = parser.Eval();
  }

  const auto &spectrumInfo = outputWS->spectrumInfo();
  const double Lss = spectrumInfo.l1();

  // Loop over the spectra
  const size_t numHists = static_cast<size_t>(outputWS->getNumberHistograms());
  Progress prog(this, 0.0, 1.0, numHists); // report progress of algorithm
  PARALLEL_FOR_IF(Kernel::threadSafe(*outputWS))
  for (int i = 0; i < static_cast<int>(numHists); ++i) {
    PARALLEL_START_INTERUPT_REGION
    size_t wsIndex = static_cast<size_t>(i);
    EventList &evlist = outputWS->getSpectrum(wsIndex);
    if (evlist.getNumberEvents() > 0) // don't bother with empty lists
    {
      double L1(Lss); // distance from source to sample
      double L2(-1);  // distance from sample to detector

      if (spectrumInfo.hasDetectors(i)) {
        if (spectrumInfo.isMonitor(i)) {
          // redefine the sample as the monitor
          L1 = Lss + spectrumInfo.l2(i); // L2 in SpectrumInfo defined negative
          L2 = 0;
        } else {
          L2 = spectrumInfo.l2(i);
        }
      } else {
        g_log.error() << "Unable to calculate distances to/from detector" << i
                      << '\n';
      }

      if (L2 >= 0) {
        // One parser for each parallel processor needed (except Edirect mode)
        double E1;
        mu::Parser parser;
        parser.DefineVar("incidentEnergy", &E1); // associate E1 to this parser
        parser.SetExpr(m_formula);

        // fast neutrons are shifted by min_t0_next, irrespective of tof
        double v1_max = L1 / m_t1min;
        E1 = m_convfactor * v1_max * v1_max;
        double min_t0_next = parser.Eval();

        if (emode == "Indirect") {
          double t2(-1.0); // time from sample to detector. (-1) signals error
          if (spectrumInfo.isMonitor(i)) {
            t2 = 0.0;
          } else {
            static const double convFact =
                1.0e-6 * sqrt(2 * PhysicalConstants::meV /
                              PhysicalConstants::NeutronMass);
            std::vector<double> wsProp =
                spectrumInfo.detector(i).getNumberParameter("Efixed");
            if (!wsProp.empty()) {
              double E2 = wsProp.at(0);        //[E2]=meV
              double v2 = convFact * sqrt(E2); //[v2]=meter/microsec
              t2 = L2 / v2;
            } else {
              // t2 is kept to -1 if no Efixed is found
              g_log.debug() << "Efixed not found for detector " << i << '\n';
            }
          }
          if (t2 >= 0) // t2 < 0 when no detector info is available
          {
            // fix the histogram bins
            auto &x = evlist.mutableX();
            for (double &tof : x) {
              if (tof < m_t1min + t2)
                tof -= min_t0_next;
              else
                tof -= CalculateT0indirect(tof, L1, t2, E1, parser);
            }

            MantidVec tofs = evlist.getTofs();
            for (double &tof : tofs) {
              if (tof < m_t1min + t2)
                tof -= min_t0_next;
              else
                tof -= CalculateT0indirect(tof, L1, t2, E1, parser);
            }
            evlist.setTofs(tofs);
            evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
          } // end of if( t2>= 0)
        }   // end of if(emode=="Indirect")
        else if (emode == "Elastic") {
          // Apply t0 correction to histogram bins
          auto &x = evlist.mutableX();
          for (double &tof : x) {
            if (tof < m_t1min * (L1 + L2) / L1)
              tof -= min_t0_next;
            else
              tof -= CalculateT0elastic(tof, L1 + L2, E1, parser);
          }

          MantidVec tofs = evlist.getTofs();
          for (double &tof : tofs) {
            // add a [-0.1,0.1] microsecond noise to avoid artifacts
            // resulting from original tof data
            if (tof < m_t1min * (L1 + L2) / L1)
              tof -= min_t0_next;
            else
              tof -= CalculateT0elastic(tof, L1 + L2, E1, parser);
          }
          evlist.setTofs(tofs);
          evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
        } // end of else if(emode=="Elastic")
        else if (emode == "Direct") {
          // fix the histogram bins
          evlist.mutableX() -= t0_direct;

          MantidVec tofs = evlist.getTofs();
          for (double &tof : tofs) {
            tof -= t0_direct;
          }
          evlist.setTofs(tofs);
          evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
        } // end of else if(emode=="Direct")
      }   // end of if(L2 >= 0)
    }     // end of if (evlist.getNumberEvents() > 0)
    prog.report();
    PARALLEL_END_INTERUPT_REGION
  } // end of for (int i = 0; i < static_cast<int>(numHists); ++i)
  PARALLEL_CHECK_INTERUPT_REGION
  outputWS->clearMRU(); // Clears the Most Recent Used lists */
} // end of void ModeratorTzero::execEvent()
예제 #14
0
void CorrectKiKf::exec()
{
  // Get the workspaces
  this->inputWS = this->getProperty("InputWorkspace");
  this->outputWS = this->getProperty("OutputWorkspace");

  // If input and output workspaces are not the same, create a new workspace for the output
  if (this->outputWS != this->inputWS)
  {
    this->outputWS = API::WorkspaceFactory::Instance().create(this->inputWS);
  }

  //Check if it is an event workspace
  EventWorkspace_const_sptr eventW = boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
  if (eventW != NULL)
  {
    this->execEvent();
    return;
  }  
  

  const size_t size = this->inputWS->blocksize();
  // Calculate the number of spectra in this workspace
  const int numberOfSpectra = static_cast<int>(this->inputWS->size() / size);
  API::Progress prog(this,0.0,1.0,numberOfSpectra);
  const bool histogram = this->inputWS->isHistogramData();
  bool negativeEnergyWarning = false;
    
  const std::string emodeStr = getProperty("EMode");
  double efixedProp = getProperty("EFixed");

  if( efixedProp == EMPTY_DBL() )
  {
    if (emodeStr == "Direct")
    {
      // Check if it has been store on the run object for this workspace
      if( this->inputWS->run().hasProperty("Ei"))
      {
        Kernel::Property* eiprop = this->inputWS->run().getProperty("Ei");
        efixedProp = boost::lexical_cast<double>(eiprop->value());
        g_log.debug() << "Using stored Ei value " << efixedProp << "\n";
      }
      else
      {
        throw std::invalid_argument("No Ei value has been set or stored within the run information.");
      }
    }
    else
    {
      // If not specified, will try to get Ef from the parameter file for indirect geometry, 
      // but it will be done for each spectrum separately, in case of different analyzer crystals
    }
  }


  PARALLEL_FOR2(inputWS,outputWS)
  for (int64_t i = 0; i < int64_t(numberOfSpectra); ++i)
  {
    PARALLEL_START_INTERUPT_REGION 
    double Efi = 0;
    // Now get the detector object for this histogram to check if monitor
    // or to get Ef for indirect geometry
    if (emodeStr == "Indirect") 
    {
      if ( efixedProp != EMPTY_DBL()) Efi = efixedProp;
      else try 
      {
        IDetector_const_sptr det = inputWS->getDetector(i);
        if (!det->isMonitor())
        {
          std::vector< double >  wsProp=det->getNumberParameter("Efixed");
          if ( wsProp.size() > 0 )
          {
            Efi=wsProp.at(0);
            g_log.debug() << i << " Ef: "<< Efi<<" (from parameter file)\n";     
          }
          else
          { 
            g_log.information() <<"Ef not found for spectrum "<< i << std::endl;
            throw std::invalid_argument("No Ef value has been set or found.");
          }
        }

      }
      catch(std::runtime_error&) { g_log.information() << "Spectrum " << i << ": cannot find detector" << "\n"; }
    }

    MantidVec& yOut = outputWS->dataY(i);
    MantidVec& eOut = outputWS->dataE(i);
    const MantidVec& xIn = inputWS->readX(i);
    const MantidVec& yIn = inputWS->readY(i);
    const MantidVec& eIn = inputWS->readE(i);
    //Copy the energy transfer axis
    outputWS->setX( i, inputWS->refX(i) );
    for (unsigned int j = 0; j < size; ++j)
    {
      const double deltaE = histogram ? 0.5*(xIn[j]+xIn[j+1]) : xIn[j];
      double Ei=0.;
      double Ef=0.;
      double kioverkf = 1.;
      if (emodeStr == "Direct")  //Ei=Efixed
      {
        Ei = efixedProp;
        Ef = Ei - deltaE;
      } else                     //Ef=Efixed
      { 
        Ef = Efi;
        Ei = Efi + deltaE;
      }
      // if Ei or Ef is negative, it should be a warning
      // however, if the intensity is 0 (histogram goes to energy transfer higher than Ei) it is still ok, so no warning.
      if ((Ei <= 0)||(Ef <= 0))
      {
        kioverkf=0.;
        if (yIn[j]!=0) negativeEnergyWarning=true;
      } 
      else kioverkf = std::sqrt( Ei / Ef );

      yOut[j] = yIn[j]*kioverkf;
      eOut[j] = eIn[j]*kioverkf;
    }
    prog.report();
    PARALLEL_END_INTERUPT_REGION
  }//end for i 
  PARALLEL_CHECK_INTERUPT_REGION

  if (negativeEnergyWarning) g_log.information() <<"Ef <= 0 or Ei <= 0 in at least one spectrum!!!!"<<std::endl;
  if ((negativeEnergyWarning) && ( efixedProp == EMPTY_DBL())) g_log.information()<<"Try to set fixed energy"<<std::endl ;
  this->setProperty("OutputWorkspace",this->outputWS);
  return;
}
예제 #15
0
/**
 * Clear the vector of strings and then add pairs of strings giving information
 * about the specified point, x, y.  The first string in a pair should
 * generally be a string describing the value being presented and the second
 * string should contain the value.
 *
 * @param x    The x-coordinate of the point of interest in the data.
 * @param y    The y-coordinate of the point of interest in the data.
 * @param list Vector that will be filled out with the information strings.
 */
void MatrixWSDataSource::getInfoList( double x,
                                      double y,
                                      std::vector<std::string> &list )
{
  // First get the info that is always available for any matrix workspace
  list.clear();

  int row = (int)y;
  restrictRow( row );

  const ISpectrum* spec = m_matWs->getSpectrum( row );

  double spec_num = spec->getSpectrumNo();
  SVUtils::PushNameValue( "Spec Num", 8, 0, spec_num, list );

  std::string x_label = "";
  Unit_sptr& old_unit = m_matWs->getAxis(0)->unit();
  if ( old_unit != 0 )
  {
    x_label = old_unit->caption();
    SVUtils::PushNameValue( x_label, 8, 3, x, list );
  }

  std::set<detid_t> ids = spec->getDetectorIDs();
  if ( !ids.empty() )
  {
    list.push_back("Det ID");
    const int64_t id = static_cast<int64_t>(*(ids.begin()));
    list.push_back(boost::lexical_cast<std::string>(id));
  }

  /* Now try to do various unit conversions to get equivalent info */
  /* first make sure we can get the needed information */
  if ( !(m_instrument && m_source && m_sample) )
  {
    return;
  }

  try
  {

    if ( old_unit == 0 )
    {
      g_log.debug("No UNITS on MatrixWorkspace X-axis");
      return;
    }

    auto det = m_matWs->getDetector( row );
    if ( det == 0 )
    {
      g_log.debug() << "No DETECTOR for row " << row << " in MatrixWorkspace" << std::endl;
      return;
    }

    double l1        = m_source->getDistance(*m_sample);
    double l2        = 0.0;
    double two_theta = 0.0;
    double azi       = 0.0;
    if ( det->isMonitor() )
    {
      l2 = det->getDistance(*m_source);
      l2 = l2-l1;
    }
    else
    {
      l2 = det->getDistance(*m_sample);
      two_theta = m_matWs->detectorTwoTheta(det);
      azi = det->getPhi();
    }
    SVUtils::PushNameValue( "L2", 8, 4, l2, list );
    SVUtils::PushNameValue( "TwoTheta", 8, 2, two_theta*180./M_PI, list );
    SVUtils::PushNameValue( "Azimuthal", 8, 2, azi*180./M_PI, list );

    /* For now, only support diffractometers and monitors. */
    /* We need a portable way to determine emode and */
    /* and efixed that will work for any matrix workspace! */
    int    emode  = 0;
    double efixed = 0.0;
    double delta  = 0.0;

    // First try to get emode & efixed from the user
    if ( m_emodeHandler != NULL )
    {
      efixed = m_emodeHandler->getEFixed();
      if ( efixed != 0 )
      {
        emode = m_emodeHandler->getEMode();
        if ( emode == 0 )
        {
          g_log.information("EMode invalid, spectrometer needed if emode != 0");
          g_log.information("Assuming Direct Geometry Spectrometer....");
          emode = 1;
        }
      }
    }

    // Did NOT get emode & efixed from user, try getting direct geometry information from the run object
    if ( efixed == 0 )
    {
      const API::Run & run = m_matWs->run();
      if ( run.hasProperty("Ei") )
      {
        Kernel::Property* prop = run.getProperty("Ei");
        efixed = boost::lexical_cast<double,std::string>(prop->value());
        emode  = 1;                         // only correct if direct geometry
      }
      else if ( run.hasProperty("EnergyRequested") )
      {
        Kernel::Property* prop = run.getProperty("EnergyRequested");
        efixed = boost::lexical_cast<double,std::string>(prop->value());
        emode  = 1;
      }
      else if ( run.hasProperty("EnergyEstimate") )
      {
        Kernel::Property* prop = run.getProperty("EnergyEstimate");
        efixed = boost::lexical_cast<double,std::string>(prop->value());
        emode  = 1;
      }
    }

    // Finally, try getting indirect geometry information from the detector object
    if ( efixed == 0 )
    {
      if ( !(det->isMonitor() && det->hasParameter("Efixed")))
      {
        try
        {
          const ParameterMap& pmap = m_matWs->constInstrumentParameters();
          Parameter_sptr par = pmap.getRecursive(det.get(),"Efixed");
          if (par)
          {
            efixed = par->value<double>();
            emode = 2;
          }
        }
        catch ( std::runtime_error& )
        {
          g_log.debug() << "Failed to get Efixed from detector ID: "
                        << det->getID() << " in MatrixWSDataSource" << std::endl;
          efixed = 0;
        }
      }
    }

    if ( efixed == 0 )
      emode = 0;

    if ( m_emodeHandler != NULL )
    {
      m_emodeHandler -> setEFixed( efixed );
      m_emodeHandler -> setEMode ( emode );
    }

    double tof = old_unit->convertSingleToTOF( x, l1, l2, two_theta,
                                               emode, efixed, delta );
    if ( ! (x_label == "Time-of-flight") )
      SVUtils::PushNameValue( "Time-of-flight", 8, 1, tof, list );

    if ( ! (x_label == "Wavelength") )
    {
      const Unit_sptr& wl_unit = UnitFactory::Instance().create("Wavelength");
      double wavelength = wl_unit->convertSingleFromTOF( tof, l1, l2, two_theta,
                                                         emode, efixed, delta );
      SVUtils::PushNameValue( "Wavelength", 8, 4, wavelength, list );
    }

    if ( ! (x_label == "Energy") )
    {
      const Unit_sptr& e_unit = UnitFactory::Instance().create("Energy");
      double energy = e_unit->convertSingleFromTOF( tof, l1, l2, two_theta,
                                                    emode, efixed, delta );
      SVUtils::PushNameValue( "Energy", 8, 4, energy, list );
    }

    if ( (! (x_label == "d-Spacing")) && (two_theta != 0.0) && ( emode == 0 ) )
    {
      const Unit_sptr& d_unit = UnitFactory::Instance().create("dSpacing");
      double d_spacing = d_unit->convertSingleFromTOF( tof, l1, l2, two_theta,
                                                       emode, efixed, delta );
      SVUtils::PushNameValue( "d-Spacing", 8, 4, d_spacing, list );
    }

    if ( (! (x_label == "q")) && (two_theta != 0.0) )
    {
      const Unit_sptr& q_unit=UnitFactory::Instance().create("MomentumTransfer");
      double mag_q = q_unit->convertSingleFromTOF( tof, l1, l2, two_theta,
                                                   emode, efixed, delta );
      SVUtils::PushNameValue( "|Q|", 8, 4, mag_q, list );
    }

    if ( (! (x_label == "DeltaE")) && (two_theta != 0.0) && ( emode != 0 ) )
    {
      const Unit_sptr& deltaE_unit=UnitFactory::Instance().create("DeltaE");
      double delta_E = deltaE_unit->convertSingleFromTOF( tof, l1, l2, two_theta,
                                                          emode, efixed, delta );
      SVUtils::PushNameValue( "DeltaE", 8, 4, delta_E, list );
    }
  }
  catch (std::exception & e)
  {
    g_log.debug() << "Failed to get information from Workspace:" << e.what() << std::endl;
  }
}