Ejemplo n.º 1
0
    /** handle the input parameters and build target workspace description as function of input parameters 
    * @param spws shared pointer to target MD workspace (just created or already existing)
    * @param QModReq -- mode to convert momentum
    * @param dEModReq -- mode to convert energy 
    * @param otherDimNames -- the vector of additional dimensions names (if any)
    * @param dimMin     -- the vector of minimal values for all dimensions of the workspace; on input it is copied from the algorithm parameters, on output 
    it is defined from MD workspace of matrix workspace depending on how well input parameters are defined 
    * @param dimMax     -- the vector of maximal values for all dimensions of the workspace; is set up similarly to dimMin
    * @param QFrame      -- in Q3D case this describes target coordinate system and is ignored in any other caste
    * @param convertTo_  -- The parameter describing Q-scaling transformations
    * @param targWSDescr -- the resulting class used to interpret all parameters together and used to describe selected transformation. 
    */ 
    bool ConvertToMD::buildTargetWSDescription(API::IMDEventWorkspace_sptr spws,const std::string &QModReq,const std::string &dEModReq,const std::vector<std::string> &otherDimNames,
      std::vector<double> &dimMin, std::vector<double> &dimMax,
      const std::string &QFrame,const std::string &convertTo_,MDEvents::MDWSDescription &targWSDescr)
    {
      // ------- Is there need to create new output workspace?  
      bool createNewTargetWs =doWeNeedNewTargetWorkspace(spws);

      if (createNewTargetWs )
      {
        targWSDescr.m_buildingNewWorkspace = true;
        // find min-max dimensions values -- either take them from input parameters or identify the defaults if input parameters are not defined
        this->findMinMax(m_InWS2D,QModReq,dEModReq,QFrame,convertTo_,otherDimNames,dimMin,dimMax);
      }
      else // get min/max from existing MD workspace ignoring input min/max values
      {
        targWSDescr.m_buildingNewWorkspace = false;
        size_t NDims = spws->getNumDims();
        dimMin.resize(NDims);
        dimMax.resize(NDims);
        for(size_t i=0;i<NDims;i++)
        {
          const Geometry::IMDDimension *pDim = spws->getDimension(i).get();
          dimMin[i]  = pDim->getMinimum();
          dimMax[i]  = pDim->getMaximum();
        }

      }

      // verify that the number min/max values is equivalent to the number of dimensions defined by properties and min is less max
      targWSDescr.setMinMax(dimMin,dimMax);   
      targWSDescr.buildFromMatrixWS(m_InWS2D,QModReq,dEModReq,otherDimNames);

      bool LorentzCorrections = getProperty("LorentzCorrection");
      targWSDescr.setLorentsCorr(LorentzCorrections);

      // instantiate class, responsible for defining Mslice-type projection
      MDEvents::MDWSTransform MsliceProj;
      //identify if u,v are present among input parameters and use defaults if not
      std::vector<double> ut = getProperty("UProj");
      std::vector<double> vt = getProperty("VProj");
      std::vector<double> wt = getProperty("WProj");
      try
      {  
        // otherwise input uv are ignored -> later it can be modified to set ub matrix if no given, but this may over-complicate things. 
        MsliceProj.setUVvectors(ut,vt,wt);   
      }
      catch(std::invalid_argument &)
      {     g_log.error() << "The projections are coplanar. Will use defaults [1,0,0],[0,1,0] and [0,0,1]" << std::endl;     }

      if(createNewTargetWs)
      {

        // check if we are working in powder mode
        // set up target coordinate system and identify/set the (multi) dimension's names to use
        targWSDescr.m_RotMatrix = MsliceProj.getTransfMatrix(targWSDescr,QFrame,convertTo_);           
      }
      else // user input is mainly ignored and everything is in old MD workspace
      {  
        // dimensions are already build, so build MDWS description from existing workspace
        MDEvents::MDWSDescription oldWSDescr;
        oldWSDescr.buildFromMDWS(spws);

        // some conversion parameters can not be defined by the target workspace. They have to be retrieved from the input workspace 
        // and derived from input parameters. 
        oldWSDescr.setUpMissingParameters(targWSDescr);      
        // set up target coordinate system and the dimension names/units
        oldWSDescr.m_RotMatrix = MsliceProj.getTransfMatrix(oldWSDescr,QFrame,convertTo_);   

        // check inconsistencies, if the existing workspace can be used as target workspace. 
        oldWSDescr.checkWSCorresponsMDWorkspace(targWSDescr);
        // reset new ws description name
        targWSDescr =oldWSDescr;
      }
      return createNewTargetWs;
    }
Ejemplo n.º 2
0
/** handle the input parameters and build target workspace description as
function of input parameters
* @param spws shared pointer to target MD workspace (just created or already
existing)
* @param QModReq -- mode to convert momentum
* @param dEModReq -- mode to convert energy
* @param otherDimNames -- the vector of additional dimensions names (if any)
* @param dimMin     -- the vector of minimal values for all dimensions of the
workspace; on input it is copied from the algorithm parameters, on output
it is defined from MD workspace of matrix workspace depending on how well input
parameters are defined
* @param dimMax     -- the vector of maximal values for all dimensions of the
workspace; is set up similarly to dimMin
* @param QFrame      -- in Q3D case this describes target coordinate system and
is ignored in any other case
* @param convertTo_  -- The parameter describing Q-scaling transformations
* @param targWSDescr -- the resulting class used to interpret all parameters
together and used to describe selected transformation.
*/
bool ConvertToMD::buildTargetWSDescription(
    API::IMDEventWorkspace_sptr spws, const std::string &QModReq,
    const std::string &dEModReq, const std::vector<std::string> &otherDimNames,
    std::vector<double> &dimMin, std::vector<double> &dimMax,
    const std::string &QFrame, const std::string &convertTo_,
    MDAlgorithms::MDWSDescription &targWSDescr) {
  // ------- Is there need to create new output workspace?
  bool createNewTargetWs = doWeNeedNewTargetWorkspace(spws);
  std::vector<int> split_into;

  if (createNewTargetWs) {
    targWSDescr.m_buildingNewWorkspace = true;
    // find min-max dimensions values -- either take them from input parameters
    // or identify the defaults if input parameters are not defined
    this->findMinMax(m_InWS2D, QModReq, dEModReq, QFrame, convertTo_,
                     otherDimNames, dimMin, dimMax);
    // set number of bins each dimension split into.
    split_into = this->getProperty("SplitInto");
  } else // get min/max from existing MD workspace ignoring input min/max values
  {
    targWSDescr.m_buildingNewWorkspace = false;
    size_t NDims = spws->getNumDims();
    dimMin.resize(NDims);
    dimMax.resize(NDims);
    split_into.resize(NDims);
    for (size_t i = 0; i < NDims; i++) {
      const Geometry::IMDDimension *pDim = spws->getDimension(i).get();
      dimMin[i] = pDim->getMinimum();
      dimMax[i] = pDim->getMaximum();
      // number of dimension
      split_into[i] = static_cast<int>(pDim->getNBins());
    }
  }

  // verify that the number min/max values is equivalent to the number of
  // dimensions defined by properties and min is less max
  targWSDescr.setMinMax(dimMin, dimMax);
  targWSDescr.buildFromMatrixWS(m_InWS2D, QModReq, dEModReq, otherDimNames);
  targWSDescr.setNumBins(split_into);

  bool LorentzCorrections = getProperty("LorentzCorrection");
  targWSDescr.setLorentsCorr(LorentzCorrections);

  double m_AbsMin = getProperty("AbsMinQ");
  targWSDescr.setAbsMin(m_AbsMin);

  // Set optional projections for Q3D mode
  MDAlgorithms::MDWSTransform MsliceProj;
  if (QModReq == MDTransfQ3D().transfID()) {
    try {
      // otherwise input uv are ignored -> later it can be modified to set ub
      // matrix if no given, but this may over-complicate things.
      MsliceProj.setUVvectors(getProperty("UProj"), getProperty("VProj"),
                              getProperty("WProj"));
    } catch (std::invalid_argument &) {
      g_log.warning() << "The projections are coplanar. Will use defaults "
                         "[1,0,0],[0,1,0] and [0,0,1]\n";
    }
  } else {
    auto warnIfSet = [this](const std::string &propName) {
      Property *prop = this->getProperty(propName);
      if (!prop->isDefault()) {
        g_log.warning(propName + " value ignored with QDimensions != " +
                      MDTransfQ3D().transfID());
      }
    };
    for (const auto &name : {"UProj", "VProj", "WProj"}) {
      warnIfSet(name);
    }
  }

  if (createNewTargetWs) {

    // check if we are working in powder mode
    // set up target coordinate system and identify/set the (multi) dimension's
    // names to use
    targWSDescr.m_RotMatrix =
        MsliceProj.getTransfMatrix(targWSDescr, QFrame, convertTo_);
  } else // user input is mainly ignored and everything is in old MD workspace
  {
    // dimensions are already build, so build MDWS description from existing
    // workspace
    MDAlgorithms::MDWSDescription oldWSDescr;
    oldWSDescr.buildFromMDWS(spws);

    // some conversion parameters can not be defined by the target workspace.
    // They have to be retrieved from the input workspace
    // and derived from input parameters.
    oldWSDescr.setUpMissingParameters(targWSDescr);
    // set up target coordinate system and the dimension names/units
    oldWSDescr.m_RotMatrix =
        MsliceProj.getTransfMatrix(oldWSDescr, QFrame, convertTo_);

    // check inconsistencies, if the existing workspace can be used as target
    // workspace.
    oldWSDescr.checkWSCorresponsMDWorkspace(targWSDescr);
    // reset new ws description name
    targWSDescr = oldWSDescr;
  }
  return createNewTargetWs;
}