예제 #1
0
/** Execute the algorithm.
 */
void TransformMD::exec() {
  Mantid::API::IMDWorkspace_sptr inWS;
  Mantid::API::IMDWorkspace_sptr outWS;

  inWS = getProperty("InputWorkspace");
  outWS = getProperty("OutputWorkspace");
  std::string outName = getPropertyValue("OutputWorkspace");

  if (boost::dynamic_pointer_cast<MatrixWorkspace>(inWS))
    throw std::runtime_error("TransformMD can only transform a "
                             "MDHistoWorkspace or a MDEventWorkspace.");

  if (outWS != inWS) {
    // NOT in-place. So first we clone inWS into outWS
    IAlgorithm_sptr clone =
        this->createChildAlgorithm("CloneMDWorkspace", 0.0, 0.5, true);
    clone->setProperty("InputWorkspace", inWS);
    clone->executeAsChildAlg();
    outWS = clone->getProperty("OutputWorkspace");
  }

  if (!outWS)
    throw std::runtime_error("Invalid output workspace.");

  size_t nd = outWS->getNumDims();
  m_scaling = getProperty("Scaling");
  m_offset = getProperty("Offset");

  // Replicate single values
  if (m_scaling.size() == 1)
    m_scaling = std::vector<double>(nd, m_scaling[0]);
  if (m_offset.size() == 1)
    m_offset = std::vector<double>(nd, m_offset[0]);

  // Check the size
  if (m_scaling.size() != nd)
    throw std::invalid_argument("Scaling argument must be either length 1 or "
                                "match the number of dimensions.");
  if (m_offset.size() != nd)
    throw std::invalid_argument("Offset argument must be either length 1 or "
                                "match the number of dimensions.");

  // Transform the dimensions
  outWS->transformDimensions(m_scaling, m_offset);

  MDHistoWorkspace_sptr histo =
      boost::dynamic_pointer_cast<MDHistoWorkspace>(outWS);
  IMDEventWorkspace_sptr event =
      boost::dynamic_pointer_cast<IMDEventWorkspace>(outWS);

  if (histo) {
    // Recalculate all the values since the dimensions changed.
    histo->cacheValues();
    // Expect first 3 dimensions to be -1 for changing conventions
    for (int i = 0; i < static_cast<int>(m_scaling.size()); i++)
      if (m_scaling[i] < 0) {
        std::vector<int> axes(m_scaling.size());        // vector with ints.
        std::iota(std::begin(axes), std::end(axes), 0); // Fill with 0, 1, ...
        axes[0] = i;
        axes[i] = 0;
        if (i > 0)
          histo = transposeMD(histo, axes);
        signal_t *signals = histo->getSignalArray();
        signal_t *errorsSq = histo->getErrorSquaredArray();
        signal_t *numEvents = histo->getNumEventsArray();

        // Find the extents
        size_t nPoints =
            static_cast<size_t>(histo->getDimension(0)->getNBins());
        size_t mPoints = 1;
        for (size_t k = 1; k < histo->getNumDims(); k++) {
          mPoints *= static_cast<size_t>(histo->getDimension(k)->getNBins());
        }
        // other dimensions
        for (size_t j = 0; j < mPoints; j++) {
          this->reverse(signals + j * nPoints, nPoints);
          this->reverse(errorsSq + j * nPoints, nPoints);
          this->reverse(numEvents + j * nPoints, nPoints);
        }

        histo = transposeMD(histo, axes);
      }

    // Pass on the display normalization from the input workspace
    histo->setDisplayNormalization(inWS->displayNormalizationHisto());

    this->setProperty("OutputWorkspace", histo);
  } else if (event) {
    // Call the method for this type of MDEventWorkspace.
    CALL_MDEVENT_FUNCTION(this->doTransform, outWS);
    Progress *prog2 = nullptr;
    ThreadScheduler *ts = new ThreadSchedulerFIFO();
    ThreadPool tp(ts, 0, prog2);
    event->splitAllIfNeeded(ts);
    // prog2->resetNumSteps( ts->size(), 0.4, 0.6);
    tp.joinAll();
    event->refreshCache();
    // Set the special coordinate system.
    IMDEventWorkspace_sptr inEvent =
        boost::dynamic_pointer_cast<IMDEventWorkspace>(inWS);
    event->setCoordinateSystem(inEvent->getSpecialCoordinateSystem());

    if (m_scaling[0] < 0) {
      // Only need these 2 algorithms for transforming with negative number
      std::vector<double> extents;
      std::vector<std::string> names, units;
      for (size_t d = 0; d < nd; d++) {
        Geometry::IMDDimension_const_sptr dim = event->getDimension(d);
        // Find the extents
        extents.push_back(dim->getMinimum());
        extents.push_back(dim->getMaximum());
        names.push_back(std::string(dim->getName()));
        units.push_back(dim->getUnits());
      }
      Algorithm_sptr create_alg = createChildAlgorithm("CreateMDWorkspace");
      create_alg->setProperty("Dimensions", static_cast<int>(nd));
      create_alg->setProperty("EventType", event->getEventTypeName());
      create_alg->setProperty("Extents", extents);
      create_alg->setProperty("Names", names);
      create_alg->setProperty("Units", units);
      create_alg->setPropertyValue("OutputWorkspace", "__none");
      create_alg->executeAsChildAlg();
      Workspace_sptr none = create_alg->getProperty("OutputWorkspace");

      AnalysisDataService::Instance().addOrReplace(outName, event);
      AnalysisDataService::Instance().addOrReplace("__none", none);
      Mantid::API::BoxController_sptr boxController = event->getBoxController();
      std::vector<int> splits;
      for (size_t d = 0; d < nd; d++) {
        splits.push_back(static_cast<int>(boxController->getSplitInto(d)));
      }
      Algorithm_sptr merge_alg = createChildAlgorithm("MergeMD");
      merge_alg->setPropertyValue("InputWorkspaces", outName + ",__none");
      merge_alg->setProperty("SplitInto", splits);
      merge_alg->setProperty(
          "SplitThreshold",
          static_cast<int>(boxController->getSplitThreshold()));
      merge_alg->setProperty("MaxRecursionDepth", 13);
      merge_alg->executeAsChildAlg();
      event = merge_alg->getProperty("OutputWorkspace");
      AnalysisDataService::Instance().remove("__none");
    }
    this->setProperty("OutputWorkspace", event);
  }
}
예제 #2
0
/** Perform loading for a MDHistoWorkspace.
* The entry should be open already.
*/
void LoadMD::loadHisto() {
  // Create the initial MDHisto.
  MDHistoWorkspace_sptr ws;
  // If display normalization has been provided. Use that.
  if (m_visualNormalization) {
    ws = boost::make_shared<MDHistoWorkspace>(m_dims,
                                              m_visualNormalization.get());
  } else {
    ws = boost::make_shared<MDHistoWorkspace>(
        m_dims); // Whatever MDHistoWorkspace defaults to.
  }

  // Now the ExperimentInfo
  MDBoxFlatTree::loadExperimentInfos(m_file.get(), m_filename, ws);

  // Coordinate system
  ws->setCoordinateSystem(m_coordSystem);

  // Load the WorkspaceHistory "process"
  if (this->getProperty("LoadHistory")) {
    ws->history().loadNexus(m_file.get());
  }

  this->loadAffineMatricies(boost::dynamic_pointer_cast<IMDWorkspace>(ws));

  if (m_saveMDVersion == 2)
    m_file->openGroup("data", "NXdata");
  // Load each data slab
  this->loadSlab("signal", ws->getSignalArray(), ws, ::NeXus::FLOAT64);
  this->loadSlab("errors_squared", ws->getErrorSquaredArray(), ws,
                 ::NeXus::FLOAT64);
  this->loadSlab("num_events", ws->getNumEventsArray(), ws, ::NeXus::FLOAT64);
  this->loadSlab("mask", ws->getMaskArray(), ws, ::NeXus::INT8);

  m_file->close();

  // Check if a MDFrame adjustment is required
  checkForRequiredLegacyFixup(ws);
  if (m_requiresMDFrameCorrection) {
    setMDFrameOnWorkspaceFromLegacyFile(ws);
  }

  // Write out the Qconvention
  // ki-kf for Inelastic convention; kf-ki for Crystallography convention
  std::string pref_QConvention =
      Kernel::ConfigService::Instance().getString("Q.convention");
  g_log.information() << "Convention for Q in Preferences is "
                      << pref_QConvention
                      << "; Convention of Q in NeXus file is " << m_QConvention
                      << '\n';

  if (pref_QConvention != m_QConvention) {
    std::vector<double> scaling(m_numDims);
    scaling = qDimensions(ws);
    g_log.information() << "Transforming Q\n";
    Algorithm_sptr transform_alg = createChildAlgorithm("TransformMD");
    transform_alg->setProperty("InputWorkspace",
                               boost::dynamic_pointer_cast<IMDWorkspace>(ws));
    transform_alg->setProperty("Scaling", scaling);
    transform_alg->executeAsChildAlg();
    IMDWorkspace_sptr tmp = transform_alg->getProperty("OutputWorkspace");
    ws = boost::dynamic_pointer_cast<MDHistoWorkspace>(tmp);
  }

  // Save to output
  setProperty("OutputWorkspace", boost::dynamic_pointer_cast<IMDWorkspace>(ws));
}