/** Initialization method:
@param bkgWS    -- shared pointer to the workspace which contains background
@param sourceWS -- shared pointer to the workspace to remove background from
@param emode    -- energy conversion mode used during internal units conversion
(0 -- elastic, 1-direct, 2 indirect, as defined in Units conversion
@param pLog     -- pointer to the logger class which would report errors
@param nThreads -- number of threads to be used for background removal
@param inPlace  -- if the background removal occurs from the existing workspace
or target workspace has to be cloned.
*/
void BackgroundHelper::initialize(const API::MatrixWorkspace_const_sptr &bkgWS,
                                  const API::MatrixWorkspace_sptr &sourceWS,
                                  int emode, Kernel::Logger *pLog, int nThreads,
                                  bool inPlace) {
  m_bgWs = bkgWS;
  m_wkWS = sourceWS;
  m_Emode = emode;
  m_pgLog = pLog;
  m_inPlace = inPlace;

  std::string bgUnits = bkgWS->getAxis(0)->unit()->unitID();
  if (bgUnits != "TOF")
    throw std::invalid_argument(" Background Workspace: " + bkgWS->getName() +
                                " should be in the units of TOF");

  if (!(bkgWS->getNumberHistograms() == 1 ||
        sourceWS->getNumberHistograms() == bkgWS->getNumberHistograms()))
    throw std::invalid_argument(" Background Workspace: " + bkgWS->getName() +
                                " should have the same number of spectra as "
                                "source workspace or be a single histogram "
                                "workspace");

  auto WSUnit = sourceWS->getAxis(0)->unit();
  if (!WSUnit)
    throw std::invalid_argument(" Source Workspace: " + sourceWS->getName() +
                                " should have units");

  Geometry::IComponent_const_sptr source =
      sourceWS->getInstrument()->getSource();
  m_Sample = sourceWS->getInstrument()->getSample();
  if ((!source) || (!m_Sample))
    throw std::invalid_argument(
        "Instrument on Source workspace:" + sourceWS->getName() +
        "is not sufficiently defined: failed to get source and/or sample");
  m_L1 = source->getDistance(*m_Sample);

  // just in case.
  this->deleteUnitsConverters();
  // allocate the array of units converters to avoid units reallocation within a
  // loop
  m_WSUnit.assign(nThreads, NULL);
  for (int i = 0; i < nThreads; i++) {
    m_WSUnit[i] = WSUnit->clone();
  }

  m_singleValueBackground = false;
  if (bkgWS->getNumberHistograms() == 0)
    m_singleValueBackground = true;
  const MantidVec &dataX = bkgWS->dataX(0);
  const MantidVec &dataY = bkgWS->dataY(0);
  // const MantidVec& dataE = bkgWS->dataE(0);
  m_NBg = dataY[0];
  m_dtBg = dataX[1] - dataX[0];
  // m_ErrSq  = dataE[0]*dataE[0]; // needs further clarification

  m_Efix = this->getEi(sourceWS);
}
void SaveIsawDetCal::sizeBanks(std::string bankName, int &NCOLS, int &NROWS,
                               double &xsize, double &ysize) {
  if (bankName.compare("None") == 0)
    return;
  boost::shared_ptr<const IComponent> parent =
      inst->getComponentByName(bankName);
  if (parent->type().compare("RectangularDetector") == 0) {
    boost::shared_ptr<const RectangularDetector> RDet =
        boost::dynamic_pointer_cast<const RectangularDetector>(parent);

    NCOLS = RDet->xpixels();
    NROWS = RDet->ypixels();
    xsize = RDet->xsize();
    ysize = RDet->ysize();
  } else {
    std::vector<Geometry::IComponent_const_sptr> children;
    boost::shared_ptr<const Geometry::ICompAssembly> asmb =
        boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(parent);
    asmb->getChildren(children, false);
    if (children[0]->getName().compare("sixteenpack") == 0) {
      asmb = boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(
          children[0]);
      children.clear();
      asmb->getChildren(children, false);
    }
    boost::shared_ptr<const Geometry::ICompAssembly> asmb2 =
        boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(children[0]);
    std::vector<Geometry::IComponent_const_sptr> grandchildren;
    asmb2->getChildren(grandchildren, false);
    NROWS = static_cast<int>(grandchildren.size());
    NCOLS = static_cast<int>(children.size());
    Geometry::IComponent_const_sptr first = children[0];
    Geometry::IComponent_const_sptr last = children[NCOLS - 1];
    xsize = first->getDistance(*last);
    first = grandchildren[0];
    last = grandchildren[NROWS - 1];
    ysize = first->getDistance(*last);
  }
}
Exemple #3
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/** Execute the algorithm.
 */
void EditInstrumentGeometry::exec() {
  // Lots of things have to do with the input workspace
  MatrixWorkspace_sptr workspace = getProperty("Workspace");
  Geometry::Instrument_const_sptr originstrument = workspace->getInstrument();

  // Get and check the primary flight path
  double l1 = this->getProperty("PrimaryFlightPath");
  if (isEmpty(l1)) {
    // Use the original L1
    if (!originstrument) {
      std::string errmsg(
          "It is not supported that L1 is not given, ",
          "while there is no instrument associated to input workspace.");
      g_log.error(errmsg);
      throw std::runtime_error(errmsg);
    }
    Geometry::IComponent_const_sptr source = originstrument->getSource();
    Geometry::IComponent_const_sptr sample = originstrument->getSample();
    l1 = source->getDistance(*sample);
    g_log.information() << "Retrieve L1 from input data workspace. \n";
  }
  g_log.information() << "Using L1 = " << l1 << "\n";

  // Get spectra number in case they are in a funny order
  std::vector<int32_t> specids = this->getProperty("SpectrumIDs");
  if (specids.empty()) // they are using the order of the input workspace
  {
    size_t numHist = workspace->getNumberHistograms();
    for (size_t i = 0; i < numHist; ++i) {
      specids.push_back(workspace->getSpectrum(i).getSpectrumNo());
      g_log.information() << "Add spectrum "
                          << workspace->getSpectrum(i).getSpectrumNo() << ".\n";
    }
  }

  // Get the detector ids - empsy means ignore it
  const vector<int> vec_detids = getProperty("DetectorIDs");
  const bool renameDetID(!vec_detids.empty());

  // Get individual detector geometries ordered by input spectrum Numbers
  const std::vector<double> l2s = this->getProperty("L2");
  const std::vector<double> tths = this->getProperty("Polar");
  std::vector<double> phis = this->getProperty("Azimuthal");

  // empty list of L2 and 2-theta is not allowed
  if (l2s.empty()) {
    throw std::runtime_error("User must specify L2 for all spectra. ");
  }
  if (tths.empty()) {
    throw std::runtime_error("User must specify 2theta for all spectra.");
  }

  // empty list of phi means that they are all zero
  if (phis.empty()) {
    phis.assign(l2s.size(), 0.);
  }

  // Validate
  for (size_t ib = 0; ib < l2s.size(); ib++) {
    g_log.information() << "Detector " << specids[ib] << "  L2 = " << l2s[ib]
                        << "  2Theta = " << tths[ib] << '\n';
    if (specids[ib] < 0) {
      // Invalid spectrum Number : less than 0.
      stringstream errmsgss;
      errmsgss << "Detector ID = " << specids[ib] << " cannot be less than 0.";
      throw std::invalid_argument(errmsgss.str());
    }
    if (l2s[ib] <= 0.0) {
      throw std::invalid_argument("L2 cannot be less or equal to 0");
    }
  }

  // Keep original instrument and set the new instrument, if necessary
  const auto spec2indexmap = workspace->getSpectrumToWorkspaceIndexMap();

  // ??? Condition: spectrum has 1 and only 1 detector
  size_t nspec = workspace->getNumberHistograms();

  // Initialize another set of L2/2-theta/Phi/DetectorIDs vector ordered by
  // workspace index
  std::vector<double> storL2s(nspec, 0.);
  std::vector<double> stor2Thetas(nspec, 0.);
  std::vector<double> storPhis(nspec, 0.);
  vector<int> storDetIDs(nspec, 0);

  // Map the properties from spectrum Number to workspace index
  for (size_t i = 0; i < specids.size(); i++) {
    // Find spectrum's workspace index
    auto it = spec2indexmap.find(specids[i]);
    if (it == spec2indexmap.end()) {
      stringstream errss;
      errss << "Spectrum Number " << specids[i] << " is not found. "
            << "Instrument won't be edited for this spectrum. \n";
      g_log.error(errss.str());
      throw std::runtime_error(errss.str());
    }

    // Store and set value
    size_t workspaceindex = it->second;

    storL2s[workspaceindex] = l2s[i];
    stor2Thetas[workspaceindex] = tths[i];
    storPhis[workspaceindex] = phis[i];
    if (renameDetID)
      storDetIDs[workspaceindex] = vec_detids[i];

    g_log.debug() << "workspace index = " << workspaceindex
                  << " is for Spectrum " << specids[i] << '\n';
  }

  // Generate a new instrument
  // Name of the new instrument
  std::string name = std::string(getProperty("InstrumentName"));
  if (name.empty()) {
    // Use the original L1
    if (!originstrument) {
      std::string errmsg(
          "It is not supported that InstrumentName is not given, ",
          "while there is no instrument associated to input workspace.");
      g_log.error(errmsg);
      throw std::runtime_error(errmsg);
    }
    name = originstrument->getName();
  }

  // Create a new instrument from scratch any way.
  auto instrument = boost::make_shared<Geometry::Instrument>(name);
  if (!bool(instrument)) {
    stringstream errss;
    errss << "Trying to use a Parametrized Instrument as an Instrument.";
    g_log.error(errss.str());
    throw std::runtime_error(errss.str());
  }

  // Set up source and sample information
  Geometry::ObjComponent *samplepos =
      new Geometry::ObjComponent("Sample", instrument.get());
  instrument->add(samplepos);
  instrument->markAsSamplePos(samplepos);
  samplepos->setPos(0.0, 0.0, 0.0);

  Geometry::ObjComponent *source =
      new Geometry::ObjComponent("Source", instrument.get());
  instrument->add(source);
  instrument->markAsSource(source);
  source->setPos(0.0, 0.0, -1.0 * l1);

  // Add/copy detector information
  auto indexInfo = workspace->indexInfo();
  std::vector<detid_t> detIDs;
  for (size_t i = 0; i < workspace->getNumberHistograms(); i++) {
    // Create a new detector.
    //    (Instrument will take ownership of pointer so no need to delete.)
    detid_t newdetid;
    if (renameDetID)
      newdetid = storDetIDs[i];
    else
      newdetid = detid_t(i) + 100;
    Geometry::Detector *detector =
        new Geometry::Detector("det", newdetid, samplepos);

    // Set up new detector parameters related to new instrument
    double l2 = storL2s[i];
    double tth = stor2Thetas[i];
    double phi = storPhis[i];

    Kernel::V3D pos;
    pos.spherical(l2, tth, phi);
    detector->setPos(pos);

    // Add new detector to spectrum and instrument
    // Good and do some debug output
    g_log.debug() << "Orignal spectrum " << indexInfo.spectrumNumber(i)
                  << "has " << indexInfo.detectorIDs(i).size()
                  << " detectors. \n";

    detIDs.push_back(newdetid);
    instrument->add(detector);
    instrument->markAsDetector(detector);

  } // ENDFOR workspace index
  indexInfo.setDetectorIDs(std::move(detIDs));
  workspace->setIndexInfo(indexInfo);

  // Add the new instrument
  workspace->setInstrument(instrument);
}
/** 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 << '\n';
  } 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);
  const auto &spectrumInfo = inputWS->spectrumInfo();
  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;

    if (!spectrumInfo.hasDetectors(i) || spectrumInfo.isMonitor(i))
      continue;

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

    const auto &spDet = spectrumInfo.detector(i);

    // calculate the requested values;
    sp2detMap[i] = liveDetectorsCount;
    detId[liveDetectorsCount] = int32_t(spDet.getID());
    detIDMap[liveDetectorsCount] = i;
    L2[liveDetectorsCount] = spectrumInfo.l2(i);

    double polar = spectrumInfo.twoTheta(i);
    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, "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";
}