Beispiel #1
0
    /** Get a workspace identified by an InputData structure. 
      * @param data :: InputData with name and either spec or i fields defined. 
      * @return InputData structure with the ws field set if everything was OK.
      */
    PlotPeakByLogValue::InputData PlotPeakByLogValue::getWorkspace(const InputData& data)
    {
      InputData out(data);
      if (API::AnalysisDataService::Instance().doesExist(data.name))
      {
        DataObjects::Workspace2D_sptr ws = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(
          API::AnalysisDataService::Instance().retrieve(data.name));
        if (ws)
        {
          out.ws = ws;
        }
        else
        {
          return data;
        }
      }
      else
      {
        std::ifstream fil(data.name.c_str());
        if (!fil)
        {
          g_log.warning() << "File "<<data.name<<" does not exist\n";
          return data;
        }
        fil.close();
        std::string::size_type i = data.name.find_last_of('.');
        if (i == std::string::npos)
        {
          g_log.warning() << "Cannot open file "<<data.name<<"\n";
          return data;
        }
        std::string ext = data.name.substr(i);
        try
        {
          API::IAlgorithm_sptr load = createSubAlgorithm("Load");
          load->initialize();
          load->setPropertyValue("FileName",data.name);
          load->execute();
          if (load->isExecuted())
          {
            API::Workspace_sptr rws = load->getProperty("OutputWorkspace");
            if (rws)
            {
              DataObjects::Workspace2D_sptr ws = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(rws);
              if (ws) 
              {
                out.ws = ws;
              }
              else
              {
                API::WorkspaceGroup_sptr gws = boost::dynamic_pointer_cast<API::WorkspaceGroup>(rws);
                if (gws)
                {
                  std::vector<std::string> wsNames = gws->getNames();
                  std::string propName = "OUTPUTWORKSPACE_" + boost::lexical_cast<std::string>(data.period);
                  if (load->existsProperty(propName))
                  {
                    Workspace_sptr rws1 = load->getProperty(propName);
                    out.ws = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(rws1);
                  }
                }
              }
            }
          }
        }
        catch(std::exception& e)
        {
          g_log.error(e.what());
          return data;
        }
      }

      if (!out.ws) return data;

      API::Axis* axis = out.ws->getAxis(1);
      if (axis->isSpectra())
      {// spectra axis
        if (out.spec < 0)
        {
          if (out.i >= 0)
          {
            out.spec = axis->spectraNo(out.i);
          }
          else
          {// i < 0 && spec < 0 => use start and end
            for(size_t i=0;i<axis->length();++i)
            {
              double s = double(axis->spectraNo(i));
              if (s >= out.start && s <= out.end)
              {
                out.indx.push_back(static_cast<int>(i));
              }
            }
          }
        }
        else
        {
          for(size_t i=0;i<axis->length();++i)
          {
            int j = axis->spectraNo(i);
            if (j == out.spec)
            {
              out.i = static_cast<int>(i);
              break;
            }
          }
        }
        if (out.i < 0 && out.indx.empty())
        {
          return data;
        }
      }
      else
      {// numeric axis
        out.spec = -1;
        if (out.i >= 0)
        {
          out.indx.clear();
        }
        else
        {
          if (out.i < -1)
          {
            out.start = (*axis)(0);
            out.end = (*axis)(axis->length()-1);
          }
          for(size_t i=0;i<axis->length();++i)
          {
            double s = (*axis)(i);
            if (s >= out.start && s <= out.end)
            {
              out.indx.push_back(static_cast<int>(i));
            }
          }
        }
      }

      return out;
    }
Beispiel #2
0
/** Executes the algorithm
 *
 *  @throw Exception::FileError If the grouping file cannot be opened or read successfully
 *  @throw runtime_error If unable to run one of the sub-algorithms successfully
 */
void DiffractionFocussing::exec()
{
  // retrieve the properties
  std::string groupingFileName=getProperty("GroupingFileName");

  // Get the input workspace
  MatrixWorkspace_sptr inputW = getProperty("InputWorkspace");

  bool dist = inputW->isDistribution();

  //do this first to check that a valid file is available before doing any work
  std::multimap<int64_t,int64_t> detectorGroups;// <group, UDET>
  if (!readGroupingFile(groupingFileName, detectorGroups))
  {
    throw Exception::FileError("Error reading .cal file",groupingFileName);
  }

  //Convert to d-spacing units
  API::MatrixWorkspace_sptr tmpW = convertUnitsToDSpacing(inputW);

  //Rebin to a common set of bins
  RebinWorkspace(tmpW);

  std::set<int64_t> groupNumbers;
  for(std::multimap<int64_t,int64_t>::const_iterator d = detectorGroups.begin();d!=detectorGroups.end();d++)
  {
    if (groupNumbers.find(d->first) == groupNumbers.end())
    {
      groupNumbers.insert(d->first);
    }
  }

  int iprogress = 0;
  int iprogress_count = static_cast<int>(groupNumbers.size());
  int iprogress_step = iprogress_count / 100;
  if (iprogress_step == 0) iprogress_step = 1;
  std::vector<int64_t> resultIndeces;
  for(std::set<int64_t>::const_iterator g = groupNumbers.begin();g!=groupNumbers.end();g++)
  {
    if (iprogress++ % iprogress_step == 0)
    {
      progress(0.68 + double(iprogress)/iprogress_count/3);
    }
    std::multimap<int64_t,int64_t>::const_iterator from = detectorGroups.lower_bound(*g);
    std::multimap<int64_t,int64_t>::const_iterator to =   detectorGroups.upper_bound(*g);
    std::vector<detid_t> detectorList;
    for(std::multimap<int64_t,int64_t>::const_iterator d = from;d!=to;d++)
      detectorList.push_back(static_cast<detid_t>(d->second));
    // Want version 1 of GroupDetectors here
    API::IAlgorithm_sptr childAlg = createSubAlgorithm("GroupDetectors",-1.0,-1.0,true,1);
    childAlg->setProperty("Workspace", tmpW);
    childAlg->setProperty< std::vector<detid_t> >("DetectorList",detectorList);
    childAlg->executeAsSubAlg();
    try
    {
      // get the index of the combined spectrum
      int ri = childAlg->getProperty("ResultIndex");
      if (ri >= 0)
      {
        resultIndeces.push_back(ri);
      }
    }
    catch(...)
    {
      throw std::runtime_error("Unable to get Properties from GroupDetectors sub-algorithm");
    }
  }

  // Discard left-over spectra, but print warning message giving number discarded
  int discarded = 0;
  const int64_t oldHistNumber = tmpW->getNumberHistograms();
  API::Axis *spectraAxis = tmpW->getAxis(1);
  for(int64_t i=0; i < oldHistNumber; i++)
    if ( spectraAxis->spectraNo(i) >= 0 && find(resultIndeces.begin(),resultIndeces.end(),i) == resultIndeces.end())
    {
      ++discarded;
    }
  g_log.warning() << "Discarded " << discarded << " spectra that were not assigned to any group" << std::endl;

  // Running GroupDetectors leads to a load of redundant spectra
  // Create a new workspace that's the right size for the meaningful spectra and copy them in
  int64_t newSize = tmpW->blocksize();
  API::MatrixWorkspace_sptr outputW = API::WorkspaceFactory::Instance().create(tmpW,resultIndeces.size(),newSize+1,newSize);
  // Copy units
  outputW->getAxis(0)->unit() = tmpW->getAxis(0)->unit();
  outputW->getAxis(1)->unit() = tmpW->getAxis(1)->unit();

  API::Axis *spectraAxisNew = outputW->getAxis(1);

  for(int64_t hist=0; hist < static_cast<int64_t>(resultIndeces.size()); hist++)
  {
    int64_t i = resultIndeces[hist];
    double spNo = static_cast<double>(spectraAxis->spectraNo(i));
    MantidVec &tmpE = tmpW->dataE(i);
    MantidVec &outE = outputW->dataE(hist);
    MantidVec &tmpY = tmpW->dataY(i);
    MantidVec &outY = outputW->dataY(hist);
    MantidVec &tmpX = tmpW->dataX(i);
    MantidVec &outX = outputW->dataX(hist);
    outE.assign(tmpE.begin(),tmpE.end());
    outY.assign(tmpY.begin(),tmpY.end());
    outX.assign(tmpX.begin(),tmpX.end());
    spectraAxisNew->setValue(hist,spNo);
    spectraAxis->setValue(i,-1);
  }

  progress(1.);

  outputW->isDistribution(dist);

  // Assign it to the output workspace property
  setProperty("OutputWorkspace",outputW);

  return;
}