/** Makes sure that the input properties are set correctly
 *  @param inputWorkspace The input workspace
 *  @throw std::runtime_error If the properties are invalid
 */
void NormaliseToMonitor::checkProperties(API::MatrixWorkspace_sptr inputWorkspace)
{

   // Check where the monitor spectrum should come from
  Property* monSpec = getProperty("MonitorSpectrum");
  Property* monWS   = getProperty("MonitorWorkspace");
  Property* monID   = getProperty("MonitorID");
  // Is the monitor spectrum within the main input workspace
  const bool inWS = !monSpec->isDefault();
  // Or is it in a separate workspace
  bool sepWS = !monWS->isDefault();
  // or monitor ID
  bool monIDs = !monID->isDefault();  
  // something has to be set
  if ( !inWS && !sepWS && !monIDs)
  {
    const std::string mess("Neither the MonitorSpectrum, nor the MonitorID or the MonitorWorkspace property has been set");
    g_log.error()<<mess<<std::endl;
    throw std::runtime_error(mess);
  }
  // One and only one of these properties should have been set
  // input from separate workspace is owerwritten by monitor spectrum
  if ( inWS && sepWS ){
      g_log.information("Both input workspace MonitorSpectrum number and monitor workspace are specified. Ignoring Monitor Workspace");
      sepWS = false;
  }
  // input from detector ID is rejected in favour of monitor sp 
  if ( inWS && monIDs ){
      g_log.information("Both input workspace MonitorSpectrum number and detector ID are specified. Ignoring Detector ID");
      monIDs = false;
  }
  // separate ws takes over detectorID (this logic is dublicated within  getInWSMonitorSpectrum)
  if ( sepWS && monIDs ){
      g_log.information("Both input MonitorWorkspace and detector ID are specified. Ignoring Detector ID");
  }



  // Do a check for common binning and store
  m_commonBins = API::WorkspaceHelpers::commonBoundaries(inputWorkspace);

  
   int spec_num(-1);
  // Check the monitor spectrum or workspace and extract into new workspace
  m_monitor = sepWS ? this->getMonitorWorkspace(inputWorkspace,spec_num) : this->getInWSMonitorSpectrum(inputWorkspace,spec_num) ;

  // Check that the 'monitor' spectrum actually relates to a monitor - warn if not
  try {
    Geometry::IDetector_const_sptr mon = m_monitor->getDetector(0);
    if ( !mon->isMonitor() )
    {
      g_log.warning()<<"The spectrum N: "<<spec_num<<" in MonitorWorkspace does not refer to a monitor.\n"
                     <<"Continuing with normalisation regardless.";
    }
  } catch (Kernel::Exception::NotFoundError &) {
    g_log.warning("Unable to check if the spectrum provided relates to a monitor - "
                  "the instrument is not fully specified.\n"
                  "Continuing with normalisation regardless.");
  }
}
Beispiel #2
0
void CalculateDIFC::calculate(API::Progress &progress,
                              API::MatrixWorkspace_sptr &outputWs,
                              DataObjects::OffsetsWorkspace_sptr &offsetsWS,
                              double l1, double beamlineNorm,
                              Kernel::V3D &beamline, Kernel::V3D &samplePos,
                              detid2det_map &allDetectors) {
  SpecialWorkspace2D_sptr localWS =
      boost::dynamic_pointer_cast<SpecialWorkspace2D>(outputWs);

  // Now go through all
  detid2det_map::const_iterator it = allDetectors.begin();
  for (; it != allDetectors.end(); ++it) {
    Geometry::IDetector_const_sptr det = it->second;
    if ((!det->isMasked()) && (!det->isMonitor())) {
      const detid_t detID = it->first;
      double offset = 0.;
      if (offsetsWS)
        offset = offsetsWS->getValue(detID, 0.);

      double difc = Geometry::Instrument::calcConversion(
          l1, beamline, beamlineNorm, samplePos, det, offset);
      difc = 1. / difc; // calcConversion gives 1/DIFC
      localWS->setValue(detID, difc);
    }

    progress.report("Calculate DIFC");
  }
}
Beispiel #3
0
void FindDetectorsPar::populate_values_from_file(
    const API::MatrixWorkspace_sptr &inputWS) {
  size_t nHist = inputWS->getNumberHistograms();

  if (this->current_ASCII_file.Type == PAR_type) {
    // in this case data in azimuthal width and polar width are in fact real
    // sizes in meters; have to transform it in into angular values
    for (size_t i = 0; i < nHist; i++) {
      azimuthalWidth[i] =
          atan2(azimuthalWidth[i], secondaryFlightpath[i]) * rad2deg;
      polarWidth[i] = atan2(polarWidth[i], secondaryFlightpath[i]) * rad2deg;
    }
    m_SizesAreLinear = false;
  } else {

    Geometry::IComponent_const_sptr sample =
        inputWS->getInstrument()->getSample();
    secondaryFlightpath.resize(nHist);
    // Loop over the spectra
    for (size_t i = 0; i < nHist; i++) {
      Geometry::IDetector_const_sptr spDet;
      try {
        spDet = inputWS->getDetector(i);
      } catch (Kernel::Exception::NotFoundError &) {
        continue;
      }
      // Check that we aren't writing a monitor...
      if (spDet->isMonitor())
        continue;
      /// this is the only value, which is not defined in phx file, so we
      /// calculate it
      secondaryFlightpath[i] = spDet->getDistance(*sample);
    }
  }
}
Beispiel #4
0
/** Retrieves the detector postion for a given spectrum
 *  @param index ::    The workspace index of the spectrum
 *  @param l1 ::       Returns the source-sample distance
 *  @param l2 ::       Returns the sample-detector distance
 *  @param twoTheta :: Returns the detector's scattering angle
 */
void RemoveBins::calculateDetectorPosition(const int& index, double& l1, double& l2, double& twoTheta)
{
  // Get a pointer to the instrument contained in the workspace
  Geometry::Instrument_const_sptr instrument = m_inputWorkspace->getInstrument();
  // Get the distance between the source and the sample (assume in metres)
  Geometry::IObjComponent_const_sptr sample = instrument->getSample();
  // Check for valid instrument
  if (sample == NULL)
  {
    throw Exception::InstrumentDefinitionError("Instrument not sufficiently defined: failed to get sample");
  }

  l1 = instrument->getSource()->getDistance(*sample);
  Geometry::IDetector_const_sptr det = m_inputWorkspace->getDetector(index);
  // Get the sample-detector distance for this detector (in metres)
  if ( ! det->isMonitor() )
  {
    l2 = det->getDistance(*sample);
    // The scattering angle for this detector (in radians).
    twoTheta = m_inputWorkspace->detectorTwoTheta(det);
  }
  else  // If this is a monitor then make l1+l2 = source-detector distance and twoTheta=0
  {
    l2 = det->getDistance(*(instrument->getSource()));
    l2 = l2 - l1;
    twoTheta = 0.0;
  }
  g_log.debug() << "Detector for index " << index << " has L1+L2=" << l1+l2 << " & 2theta= " << twoTheta << std::endl;
  return;
}
void CalculateDIFC::calculate() {
  Instrument_const_sptr instrument = m_inputWS->getInstrument();

  SpecialWorkspace2D_sptr localWS =
      boost::dynamic_pointer_cast<SpecialWorkspace2D>(m_outputWS);

  double l1;
  Kernel::V3D beamline, samplePos;
  double beamline_norm;
  instrument->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);

  // To get all the detector ID's
  detid2det_map allDetectors;
  instrument->getDetectors(allDetectors);

  // Now go through all
  detid2det_map::const_iterator it = allDetectors.begin();
  for (; it != allDetectors.end(); ++it) {
    Geometry::IDetector_const_sptr det = it->second;
    if ((!det->isMasked()) && (!det->isMonitor())) {
      const detid_t detID = it->first;
      double offset = 0.;
      if (m_offsetsWS)
        offset = m_offsetsWS->getValue(detID, 0.);

      double difc = Geometry::Instrument::calcConversion(
          l1, beamline, beamline_norm, samplePos, det, offset);
      difc = 1. / difc; // calcConversion gives 1/DIFC
      localWS->setValue(detID, difc);
    }
  }

}
Beispiel #6
0
/** Calculates the total flightpath for the given detector.
 *  This is L1+L2 normally, but is the source-detector distance for a monitor.
 *  @param spectrum ::  The workspace index
 *  @param L1 ::        The primary flightpath
 *  @param isMonitor :: Output: true is this detector is a monitor
 *  @return The flightpath (Ld) for the detector linked to spectrum
 *  @throw Kernel::Exception::InstrumentDefinitionError if the detector position
 * can't be obtained
 */
double UnwrapMonitor::calculateFlightpath(const int &spectrum, const double &L1,
                                          bool &isMonitor) const {
  double Ld = -1.0;
  try {
    // Get the detector object for this histogram
    Geometry::IDetector_const_sptr det = m_inputWS->getDetector(spectrum);
    // Get the sample-detector distance for this detector (or source-detector if
    // a monitor)
    // This is the total flightpath
    isMonitor = det->isMonitor();
    // Get the L2 distance if this detector is not a monitor
    if (!isMonitor) {
      double L2 = det->getDistance(*(m_inputWS->getInstrument()->getSample()));
      Ld = L1 + L2;
    }
    // If it is a monitor, then the flightpath is the distance to the source
    else {
      Ld = det->getDistance(*(m_inputWS->getInstrument()->getSource()));
    }
  } catch (Exception::NotFoundError &) {
    // If the detector information is missing, return a negative number
  }

  return Ld;
}
Beispiel #7
0
/**
 * Corrects a spectra for the detector efficiency calculated from detector
 * information. Gets the detector information and uses this to calculate its
 * efficiency
 *  @param spectraIndex :: index of the spectrum to get the efficiency for
 *  @throw invalid_argument if the shape of a detector is isn't a cylinder
 *  aligned along one axis
 *  @throw runtime_error if the SpectraDetectorMap has not been filled
 *  @throw NotFoundError if the detector or its gas pressure or wall thickness
 *  were not found
 */
void He3TubeEfficiency::correctForEfficiency(std::size_t spectraIndex)
{
  Geometry::IDetector_const_sptr det = this->inputWS->getDetector(spectraIndex);
  if( det->isMonitor() || det->isMasked() )
  {
    return;
  }

  const double exp_constant = this->calculateExponential(spectraIndex, det);
  const double scale = this->getProperty("ScaleFactor");

  Mantid::MantidVec &yout = this->outputWS->dataY(spectraIndex);
  Mantid::MantidVec &eout = this->outputWS->dataE(spectraIndex);
  // Need the original values so this is not a reference
  const Mantid::MantidVec yValues = this->inputWS->readY(spectraIndex);
  const Mantid::MantidVec eValues = this->inputWS->readE(spectraIndex);

  std::vector<double>::const_iterator yinItr = yValues.begin();
  std::vector<double>::const_iterator einItr = eValues.begin();
  Mantid::MantidVec::const_iterator xItr = this->inputWS->readX(spectraIndex).begin();
  Mantid::MantidVec::iterator youtItr = yout.begin();
  Mantid::MantidVec::iterator eoutItr = eout.begin();

  for( ; youtItr != yout.end(); ++youtItr, ++eoutItr)
  {
    const double wavelength = (*xItr + *(xItr + 1)) / 2.0;
    const double effcorr = this->detectorEfficiency(exp_constant * wavelength, scale);
    *youtItr = (*yinItr) * effcorr;
    *eoutItr = (*einItr) * effcorr;
    ++yinItr; ++einItr;
    ++xItr;
  }

  return;
}
Beispiel #8
0
/// helper function to preprocess the detectors directions
void 
ConvertToQ3DdE::process_detectors_positions(const DataObjects::Workspace2D_const_sptr inputWS)
{

    const size_t nHist = inputWS->getNumberHistograms();

    det_loc.det_dir.resize(nHist);
    det_loc.det_id.resize(nHist);
     // Loop over the spectra
   size_t ic(0);
   for (size_t i = 0; i < nHist; i++){

     Geometry::IDetector_const_sptr spDet;
     try{
        spDet= inputWS->getDetector(i);
     }catch(Kernel::Exception::NotFoundError &){
        continue;
     }
 
    // Check that we aren't dealing with monitor...
    if (spDet->isMonitor())continue;   

     det_loc.det_id[ic] = spDet->getID();
    // dist     =  spDet->getDistance(*sample);
     double polar    =  inputWS->detectorTwoTheta(spDet);
     double azim     =  spDet->getPhi();    

     double sPhi=sin(polar);
     double ez = cos(polar);
     double ex = sPhi*cos(azim);
     double ey = sPhi*sin(azim);
 
     det_loc.det_dir[ic].setX(ex);
     det_loc.det_dir[ic].setY(ey);
     det_loc.det_dir[ic].setZ(ez);

     ic++;
   }
   // 
   if(ic<nHist){
       det_loc.det_dir.resize(ic);
       det_loc.det_id.resize(ic);
   }
}
    /**
     * Set the new detector position given the r,theta and phi.
     * @param det :: A pointer to the detector
     * @param l2 :: A single l2
     * @param theta :: A single theta
     * @param phi :: A single phi
     */
    void UpdateInstrumentFromFile::setDetectorPosition(const Geometry::IDetector_const_sptr & det, const float l2,
                                                       const float theta, const float phi)
    {
      if( m_ignoreMonitors && det->isMonitor() ) return;

      Geometry::ParameterMap & pmap = m_workspace->instrumentParameters();
      Kernel::V3D pos;
      if (!m_ignorePhi)
      {
        pos.spherical(l2, theta, phi);
      }
      else
      {
        double r,t,p;
        det->getPos().getSpherical(r,t,p);
        pos.spherical(l2, theta, p);
      }
      Geometry::ComponentHelper::moveComponent(*det, pmap, pos, Geometry::ComponentHelper::Absolute);
    }
Beispiel #10
0
std::pair<double, double> LoadILLSANS::calculateQMaxQMin() {
  double min = std::numeric_limits<double>::max(),
         max = std::numeric_limits<double>::min();
  g_log.debug("Calculating Qmin Qmax...");
  std::size_t nHist = m_localWorkspace->getNumberHistograms();
  for (std::size_t i = 0; i < nHist; ++i) {
    Geometry::IDetector_const_sptr det = m_localWorkspace->getDetector(i);
    if (!det->isMonitor()) {
      const MantidVec &lambdaBinning = m_localWorkspace->readX(i);
      Kernel::V3D detPos = det->getPos();
      double r, theta, phi;
      detPos.getSpherical(r, theta, phi);
      double v1 = calculateQ(*(lambdaBinning.begin()), theta);
      double v2 = calculateQ(*(lambdaBinning.end() - 1), theta);
      // std::cout << "i=" << i << " theta="<<theta << " lambda_i=" <<
      // *(lambdaBinning.begin()) << " lambda_f=" << *(lambdaBinning.end()-1) <<
      // " v1=" << v1 << " v2=" << v2 << '\n';
      if (i == 0) {
        min = v1;
        max = v1;
      }
      if (v1 < min) {
        min = v1;
      }
      if (v2 < min) {
        min = v2;
      }
      if (v1 > max) {
        max = v1;
      }
      if (v2 > max) {
        max = v2;
      }
    } else
      g_log.debug() << "Detector " << i << " is a Monitor : " << det->getID()
                    << '\n';
  }

  g_log.debug() << "Calculating Qmin Qmax. Done : [" << min << "," << max
                << "]\n";

  return std::pair<double, double>(min, max);
}
/** Method updates the column, which describes if current detector/spectra is
   masked
    It is used if one tries to process multiple workspaces obtained from a
   series of experiments  where the masked detectors can change */
void PreprocessDetectorsToMD::updateMasksState(
    const API::MatrixWorkspace_const_sptr &inputWS,
    DataObjects::TableWorkspace_sptr &targWS) {
  int *pMasksArray = targWS->getColDataArray<int>("detMask");
  if (!pMasksArray)
    throw std::invalid_argument(
        "target workspace " + targWS->getName() +
        " does not have defined masks column to update");

  size_t nHist = targWS->rowCount();
  const size_t nRows = inputWS->getNumberHistograms();
  if (nHist != nRows)
    throw std::invalid_argument(
        " source workspace " + inputWS->getName() + " and target workspace " +
        targWS->getName() +
        " are inconsistent as have different numner of detectors");

  uint32_t liveDetectorsCount(0);
  for (size_t i = 0; i < nHist; i++) {
    // get detector or detector group which corresponds to the spectra i
    Geometry::IDetector_const_sptr spDet;
    try {
      spDet = inputWS->getDetector(i);
    } catch (Kernel::Exception::NotFoundError &) {
      continue;
    }

    // Check that we aren't dealing with monitor...
    if (spDet->isMonitor())
      continue;

    // if masked detectors state is not used, masked detectors just ignored;
    bool maskDetector = spDet->isMasked();
    *(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;

    liveDetectorsCount++;
  }
}
/** Executes the algorithm
 *@param localworkspace :: the input workspace
 *@param indices :: set of indices to sum up
 */
void SumSpectra::execEvent(EventWorkspace_const_sptr localworkspace,
                           std::set<int> &indices) {
  // Make a brand new EventWorkspace
  EventWorkspace_sptr outputWorkspace =
      boost::dynamic_pointer_cast<EventWorkspace>(
          API::WorkspaceFactory::Instance().create("EventWorkspace", 1, 2, 1));
  // Copy geometry over.
  API::WorkspaceFactory::Instance().initializeFromParent(localworkspace,
                                                         outputWorkspace, true);

  Progress progress(this, 0, 1, indices.size());

  // Get the pointer to the output event list
  EventList &outEL = outputWorkspace->getEventList(0);
  outEL.setSpectrumNo(m_outSpecId);
  outEL.clearDetectorIDs();

  // Loop over spectra
  std::set<int>::iterator it;
  size_t numSpectra(0);
  size_t numMasked(0);
  size_t numZeros(0);
  // for (int i = m_minSpec; i <= m_maxSpec; ++i)
  for (it = indices.begin(); it != indices.end(); ++it) {
    int i = *it;
    // Don't go outside the range.
    if ((i >= m_numberOfSpectra) || (i < 0)) {
      g_log.error() << "Invalid index " << i
                    << " was specified. Sum was aborted.\n";
      break;
    }

    try {
      // Get the detector object for this spectrum
      Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
      // Skip monitors, if the property is set to do so
      if (!m_keepMonitors && det->isMonitor())
        continue;
      // Skip masked detectors
      if (det->isMasked()) {
        numMasked++;
        continue;
      }
    } catch (...) {
      // if the detector not found just carry on
    }
    numSpectra++;

    // Add the event lists with the operator
    const EventList &tOutEL = localworkspace->getEventList(i);
    if (tOutEL.empty()) {
      ++numZeros;
    }
    outEL += tOutEL;

    progress.report();
  }

  // Set all X bins on the output
  cow_ptr<MantidVec> XValues;
  XValues.access() = localworkspace->readX(0);
  outputWorkspace->setAllX(XValues);

  outputWorkspace->mutableRun().addProperty("NumAllSpectra", int(numSpectra),
                                            "", true);
  outputWorkspace->mutableRun().addProperty("NumMaskSpectra", int(numMasked),
                                            "", true);
  outputWorkspace->mutableRun().addProperty("NumZeroSpectra", int(numZeros), "",
                                            true);

  // Assign it to the output workspace property
  setProperty("OutputWorkspace",
              boost::dynamic_pointer_cast<MatrixWorkspace>(outputWorkspace));
}
/**
 * This function handles the logic for summing RebinnedOutput workspaces.
 * @param outputWorkspace the workspace to hold the summed input
 * @param progress the progress indicator
 * @param numSpectra
 * @param numMasked
 * @param numZeros
 */
void SumSpectra::doRebinnedOutput(MatrixWorkspace_sptr outputWorkspace,
                                  Progress &progress, size_t &numSpectra,
                                  size_t &numMasked, size_t &numZeros) {
  // Get a copy of the input workspace
  MatrixWorkspace_sptr temp = getProperty("InputWorkspace");

  // First, we need to clean the input workspace for nan's and inf's in order
  // to treat the data correctly later. This will create a new private
  // workspace that will be retrieved as mutable.
  IAlgorithm_sptr alg = this->createChildAlgorithm("ReplaceSpecialValues");
  alg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", temp);
  std::string outName = "_" + temp->getName() + "_clean";
  alg->setProperty("OutputWorkspace", outName);
  alg->setProperty("NaNValue", 0.0);
  alg->setProperty("NaNError", 0.0);
  alg->setProperty("InfinityValue", 0.0);
  alg->setProperty("InfinityError", 0.0);
  alg->executeAsChildAlg();
  MatrixWorkspace_sptr localworkspace = alg->getProperty("OutputWorkspace");

  // Transform to real workspace types
  RebinnedOutput_sptr inWS =
      boost::dynamic_pointer_cast<RebinnedOutput>(localworkspace);
  RebinnedOutput_sptr outWS =
      boost::dynamic_pointer_cast<RebinnedOutput>(outputWorkspace);

  // Get references to the output workspaces's data vectors
  ISpectrum *outSpec = outputWorkspace->getSpectrum(0);
  MantidVec &YSum = outSpec->dataY();
  MantidVec &YError = outSpec->dataE();
  MantidVec &FracSum = outWS->dataF(0);
  MantidVec Weight;
  std::vector<size_t> nZeros;
  if (m_calculateWeightedSum) {
    Weight.assign(YSum.size(), 0);
    nZeros.assign(YSum.size(), 0);
  }
  numSpectra = 0;
  numMasked = 0;
  numZeros = 0;

  // Loop over spectra
  std::set<int>::iterator it;
  // for (int i = m_minSpec; i <= m_maxSpec; ++i)
  for (it = m_indices.begin(); it != m_indices.end(); ++it) {
    int i = *it;
    // Don't go outside the range.
    if ((i >= m_numberOfSpectra) || (i < 0)) {
      g_log.error() << "Invalid index " << i
                    << " was specified. Sum was aborted.\n";
      break;
    }

    try {
      // Get the detector object for this spectrum
      Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
      // Skip monitors, if the property is set to do so
      if (!m_keepMonitors && det->isMonitor())
        continue;
      // Skip masked detectors
      if (det->isMasked()) {
        numMasked++;
        continue;
      }
    } catch (...) {
      // if the detector not found just carry on
    }
    numSpectra++;

    // Retrieve the spectrum into a vector
    const MantidVec &YValues = localworkspace->readY(i);
    const MantidVec &YErrors = localworkspace->readE(i);
    const MantidVec &FracArea = inWS->readF(i);

    if (m_calculateWeightedSum) {
      for (int k = 0; k < this->m_yLength; ++k) {
        if (YErrors[k] != 0) {
          double errsq = YErrors[k] * YErrors[k] * FracArea[k] * FracArea[k];
          YError[k] += errsq;
          Weight[k] += 1. / errsq;
          YSum[k] += YValues[k] * FracArea[k] / errsq;
          FracSum[k] += FracArea[k];
        } else {
          nZeros[k]++;
          FracSum[k] += FracArea[k];
        }
      }
    } else {
      for (int k = 0; k < this->m_yLength; ++k) {
        YSum[k] += YValues[k] * FracArea[k];
        YError[k] += YErrors[k] * YErrors[k] * FracArea[k] * FracArea[k];
        FracSum[k] += FracArea[k];
      }
    }

    // Map all the detectors onto the spectrum of the output
    outSpec->addDetectorIDs(localworkspace->getSpectrum(i)->getDetectorIDs());

    progress.report();
  }

  if (m_calculateWeightedSum) {
    numZeros = 0;
    for (size_t i = 0; i < Weight.size(); i++) {
      if (nZeros[i] == 0)
        YSum[i] *= double(numSpectra) / Weight[i];
      else
        numZeros += nZeros[i];
    }
  }

  // Create the correct representation
  outWS->finalize();
}
/**
 * This function deals with the logic necessary for summing a Workspace2D.
 * @param localworkspace The input workspace for summing.
 * @param outSpec The spectrum for the summed output.
 * @param progress The progress indicator.
 * @param numSpectra The number of spectra contributed to the sum.
 * @param numMasked The spectra dropped from the summations because they are
 * masked.
 * @param numZeros The number of zero bins in histogram workspace or empty
 * spectra for event workspace.
 */
void SumSpectra::doWorkspace2D(MatrixWorkspace_const_sptr localworkspace,
                               ISpectrum *outSpec, Progress &progress,
                               size_t &numSpectra, size_t &numMasked,
                               size_t &numZeros) {
  // Get references to the output workspaces's data vectors
  MantidVec &YSum = outSpec->dataY();
  MantidVec &YError = outSpec->dataE();

  MantidVec Weight;
  std::vector<size_t> nZeros;
  if (m_calculateWeightedSum) {
    Weight.assign(YSum.size(), 0);
    nZeros.assign(YSum.size(), 0);
  }
  numSpectra = 0;
  numMasked = 0;
  numZeros = 0;

  // Loop over spectra
  std::set<int>::iterator it;
  // for (int i = m_minSpec; i <= m_maxSpec; ++i)
  for (it = this->m_indices.begin(); it != this->m_indices.end(); ++it) {
    int i = *it;
    // Don't go outside the range.
    if ((i >= this->m_numberOfSpectra) || (i < 0)) {
      g_log.error() << "Invalid index " << i
                    << " was specified. Sum was aborted.\n";
      break;
    }

    try {
      // Get the detector object for this spectrum
      Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
      // Skip monitors, if the property is set to do so
      if (!m_keepMonitors && det->isMonitor())
        continue;
      // Skip masked detectors
      if (det->isMasked()) {
        numMasked++;
        continue;
      }
    } catch (...) {
      // if the detector not found just carry on
    }
    numSpectra++;

    // Retrieve the spectrum into a vector
    const MantidVec &YValues = localworkspace->readY(i);
    const MantidVec &YErrors = localworkspace->readE(i);
    if (m_calculateWeightedSum) {
      for (int k = 0; k < this->m_yLength; ++k) {
        if (YErrors[k] != 0) {
          double errsq = YErrors[k] * YErrors[k];
          YError[k] += errsq;
          Weight[k] += 1. / errsq;
          YSum[k] += YValues[k] / errsq;
        } else {
          nZeros[k]++;
        }
      }
    } else {
      for (int k = 0; k < this->m_yLength; ++k) {
        YSum[k] += YValues[k];
        YError[k] += YErrors[k] * YErrors[k];
      }
    }

    // Map all the detectors onto the spectrum of the output
    outSpec->addDetectorIDs(localworkspace->getSpectrum(i)->getDetectorIDs());

    progress.report();
  }

  if (m_calculateWeightedSum) {
    numZeros = 0;
    for (size_t i = 0; i < Weight.size(); i++) {
      if (nZeros[i] == 0)
        YSum[i] *= double(numSpectra) / Weight[i];
      else
        numZeros += nZeros[i];
    }
  }
}
/** method does preliminary calculations of the detectors positions to convert
results into k-dE space ;
and places the results into static cash to be used in subsequent calls to this
algorithm */
void PreprocessDetectorsToMD::processDetectorsPositions(
    const API::MatrixWorkspace_const_sptr &inputWS,
    DataObjects::TableWorkspace_sptr &targWS) {
  g_log.information()
      << "Preprocessing detector locations in a target reciprocal space\n";
  //
  Geometry::Instrument_const_sptr instrument = inputWS->getInstrument();
  // this->pBaseInstr                = instrument->baseInstrument();
  //
  Geometry::IComponent_const_sptr source = instrument->getSource();
  Geometry::IComponent_const_sptr sample = instrument->getSample();
  if ((!source) || (!sample)) {
    g_log.error() << " Instrument is not fully defined. Can not identify "
                     "source or sample\n";
    throw Kernel::Exception::InstrumentDefinitionError(
        "Instrument not sufficiently defined: failed to get source and/or "
        "sample");
  }

  // L1
  try {
    double L1 = source->getDistance(*sample);
    targWS->logs()->addProperty<double>("L1", L1, true);
    g_log.debug() << "Source-sample distance: " << L1 << std::endl;
  } catch (Kernel::Exception::NotFoundError &) {
    throw Kernel::Exception::InstrumentDefinitionError(
        "Unable to calculate source-sample distance for workspace",
        inputWS->getTitle());
  }
  // Instrument name
  std::string InstrName = instrument->getName();
  targWS->logs()->addProperty<std::string>(
      "InstrumentName", InstrName,
      true); // "The name which should unique identify current instrument");
  targWS->logs()->addProperty<bool>("FakeDetectors", false, true);

  // get access to the workspace memory
  auto &sp2detMap = targWS->getColVector<size_t>("spec2detMap");
  auto &detId = targWS->getColVector<int32_t>("DetectorID");
  auto &detIDMap = targWS->getColVector<size_t>("detIDMap");
  auto &L2 = targWS->getColVector<double>("L2");
  auto &TwoTheta = targWS->getColVector<double>("TwoTheta");
  auto &Azimuthal = targWS->getColVector<double>("Azimuthal");
  auto &detDir = targWS->getColVector<Kernel::V3D>("DetDirections");

  // Efixed; do we need one and does one exist?
  double Efi = targWS->getLogs()->getPropertyValueAsType<double>("Ei");
  float *pEfixedArray(nullptr);
  const Geometry::ParameterMap &pmap = inputWS->constInstrumentParameters();
  if (m_getEFixed)
    pEfixedArray = targWS->getColDataArray<float>("eFixed");

  // check if one needs to generate masked detectors column.
  int *pMasksArray(nullptr);
  if (m_getIsMasked)
    pMasksArray = targWS->getColDataArray<int>("detMask");

  //// progress message appearance
  size_t div = 100;
  size_t nHist = targWS->rowCount();
  Mantid::API::Progress theProgress(this, 0, 1, nHist);
  //// Loop over the spectra
  uint32_t liveDetectorsCount(0);
  for (size_t i = 0; i < nHist; i++) {
    sp2detMap[i] = std::numeric_limits<uint64_t>::quiet_NaN();
    detId[i] = std::numeric_limits<int32_t>::quiet_NaN();
    detIDMap[i] = std::numeric_limits<uint64_t>::quiet_NaN();
    L2[i] = std::numeric_limits<double>::quiet_NaN();
    TwoTheta[i] = std::numeric_limits<double>::quiet_NaN();
    Azimuthal[i] = std::numeric_limits<double>::quiet_NaN();
    //     detMask[i]  = true;

    // get detector or detector group which corresponds to the spectra i
    Geometry::IDetector_const_sptr spDet;
    try {
      spDet = inputWS->getDetector(i);
    } catch (Kernel::Exception::NotFoundError &) {
      continue;
    }

    // Check that we aren't dealing with monitor...
    if (spDet->isMonitor())
      continue;

    // if masked detectors state is not used, masked detectors just ignored;
    bool maskDetector = spDet->isMasked();
    if (m_getIsMasked)
      *(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;
    else if (maskDetector)
      continue;

    // calculate the requested values;
    sp2detMap[i] = liveDetectorsCount;
    detId[liveDetectorsCount] = int32_t(spDet->getID());
    detIDMap[liveDetectorsCount] = i;
    L2[liveDetectorsCount] = spDet->getDistance(*sample);

    double polar = inputWS->detectorTwoTheta(spDet);
    double azim = spDet->getPhi();
    TwoTheta[liveDetectorsCount] = polar;
    Azimuthal[liveDetectorsCount] = azim;

    double sPhi = sin(polar);
    double ez = cos(polar);
    double ex = sPhi * cos(azim);
    double ey = sPhi * sin(azim);

    detDir[liveDetectorsCount].setX(ex);
    detDir[liveDetectorsCount].setY(ey);
    detDir[liveDetectorsCount].setZ(ez);

    // double sinTheta=sin(0.5*polar);
    // this->SinThetaSq[liveDetectorsCount]  = sinTheta*sinTheta;

    // specific code which should work and makes sense
    // for indirect instrument but may be deployed on any code with Ei property
    // defined;
    if (pEfixedArray) {
      try {
        Geometry::Parameter_sptr par = pmap.getRecursive(spDet.get(), "eFixed");
        if (par)
          Efi = par->value<double>();
      } catch (std::runtime_error &) {
      }
      // set efixed for each existing detector
      *(pEfixedArray + liveDetectorsCount) = static_cast<float>(Efi);
    }

    liveDetectorsCount++;
    if (i % div == 0)
      theProgress.report(i, "Preprocessing detectors");
  }
  targWS->logs()->addProperty<uint32_t>("ActualDetectorsNum",
                                        liveDetectorsCount, true);

  theProgress.report();
  g_log.information() << "Finished preprocessing detector locations. Found: "
                      << liveDetectorsCount << " detectors out of: " << nHist
                      << " histograms\n";
}
Beispiel #16
0
/** Read the scaling information from a file (e.g. merlin_detector.sca) or from
 * the RAW file (.raw)
 *  @param scalingFile :: Name of scaling file .sca
 *  @param truepos :: V3D vector of actual positions as read from the file
 *  @return False if unable to open file, True otherwise
 */
bool SetScalingPSD::processScalingFile(const std::string &scalingFile,
                                       std::vector<Kernel::V3D> &truepos) {
  // Read the scaling information from a text file (.sca extension) or from a
  // raw file (.raw)
  // This is really corrected positions as (r,theta,phi) for each detector
  // Compare these with the instrument values to determine the change in
  // position and the scaling
  // which may be necessary for each pixel if in a tube.
  // movePos is used to updated positions
  std::map<int, Kernel::V3D> posMap;
  std::map<int, double> scaleMap;
  std::map<int, double>::iterator its;

  Instrument_const_sptr instrument = m_workspace->getInstrument();
  if (scalingFile.find(".sca") != std::string::npos ||
      scalingFile.find(".SCA") != std::string::npos) {
    // read a .sca text format file
    // format consists of a short header followed by one line per detector

    std::ifstream sFile(scalingFile.c_str());
    if (!sFile) {
      g_log.error() << "Unable to open scaling file " << scalingFile
                    << std::endl;
      return false;
    }
    std::string str;
    getline(sFile,
            str); // skip header line should be <filename> generated by <prog>
    int detectorCount;
    getline(sFile, str); // get detector count line
    std::istringstream istr(str);
    istr >> detectorCount;
    if (detectorCount < 1) {
      g_log.error("Bad detector count in scaling file");
      throw std::runtime_error("Bad detector count in scaling file");
    }
    truepos.reserve(detectorCount);
    getline(sFile, str); // skip title line
    int detIdLast = -10;
    Kernel::V3D truPosLast, detPosLast;

    Progress prog(this, 0.0, 0.5, detectorCount);
    // Now loop through lines, one for each detector/monitor. The latter are
    // ignored.

    while (getline(sFile, str)) {
      if (str.empty() || str[0] == '#')
        continue;
      std::istringstream istr(str);

      // read 6 values from the line to get the 3 (l2,theta,phi) of interest
      int detIndex, code;
      double l2, theta, phi, offset;
      istr >> detIndex >> offset >> l2 >> code >> theta >> phi;

      // sanity check on angles - l2 should be +ve but sample file has a few -ve
      // values
      // on monitors
      if (theta > 181.0 || theta < -1 || phi < -181 || phi > 181) {
        g_log.error("Position angle data out of range in .sca file");
        throw std::runtime_error(
            "Position angle data out of range in .sca file");
      }
      Kernel::V3D truPos;
      // use abs as correction file has -ve l2 for first few detectors
      truPos.spherical(fabs(l2), theta, phi);
      truepos.push_back(truPos);
      //
      Geometry::IDetector_const_sptr det;
      try {
        det = instrument->getDetector(detIndex);
      } catch (Kernel::Exception::NotFoundError &) {
        continue;
      }
      Kernel::V3D detPos = det->getPos();
      Kernel::V3D shift = truPos - detPos;

      // scaling applied to dets that are not monitors and have sequential IDs
      if (detIdLast == detIndex - 1 && !det->isMonitor()) {
        Kernel::V3D diffI = detPos - detPosLast;
        Kernel::V3D diffT = truPos - truPosLast;
        double scale = diffT.norm() / diffI.norm();
        Kernel::V3D scaleDir = diffT / diffT.norm();
        // Wish to store the scaling in a map, if we already have a scaling
        // for this detector (i.e. from the other side) we average the two
        // values. End of tube detectors only have one scaling estimate.
        scaleMap[detIndex] = scale;
        its = scaleMap.find(detIndex - 1);
        if (its == scaleMap.end())
          scaleMap[detIndex - 1] = scale;
        else
          its->second = 0.5 * (its->second + scale);
        // std::cout << detIndex << scale << scaleDir << std::endl;
      }
      detIdLast = detIndex;
      detPosLast = detPos;
      truPosLast = truPos;
      posMap[detIndex] = shift;
      //
      prog.report();
    }
  } else if (scalingFile.find(".raw") != std::string::npos ||