/** the method builds the MD ws description from existing matrix workspace and
the requested transformation parameters.
*@param pWS -- input matrix workspace to be converted into MD workspace
*@param QMode -- momentum conversion mode. Any mode supported by Q conversion
factory. Class just carries up the name of Q-mode,
* to the place where factory call to the solver is made , so no
code modification is needed when new modes are added
* to the factory
*@param dEMode -- energy analysis mode (string representation). Should
correspond to energy analysis modes, supported by selected Q-mode
*@param dimPropertyNames -- the vector of names for additional ws properties,
which will be used as dimensions.
*/
void MDWSDescription::buildFromMatrixWS(
const API::MatrixWorkspace_sptr &pWS, const std::string &QMode,
const std::string dEMode,
const std::vector<std::string> &dimPropertyNames) {
m_InWS = pWS;
// fill additional dimensions values, defined by workspace properties;
this->fillAddProperties(m_InWS, dimPropertyNames, m_AddCoord);
this->AlgID = QMode;
// check and get energy conversion mode;
m_Emode = Kernel::DeltaEMode::fromString(dEMode);
// get raw pointer to Q-transformation (do not delete this pointer, its held
// by MDTransfFactory!)
MDTransfInterface *pQtransf = MDTransfFactory::Instance().create(QMode).get();
// get number of dimensions this Q transformation generates from the
// workspace.
unsigned int nMatrixDim = pQtransf->getNMatrixDimensions(m_Emode, m_InWS);
// number of MD ws dimensions is the sum of n-matrix dimensions and dimensions
// coming from additional coordinates
m_NDims = nMatrixDim + static_cast<unsigned int>(m_AddCoord.size());
this->resizeDimDescriptions(m_NDims);
// check if all MD dimensions descriptors are set properly
if (m_NDims != m_DimNames.size() || m_NDims != m_DimMin.size()) {
if (m_buildingNewWorkspace) {
throw(std::invalid_argument(" dimension limits vectors and dimension "
"description vectors inconsistent as have "
"different length"));
} else {
throw(std::invalid_argument(
" dimension limits vectors and dimension description vectors "
"inconsistent as have different length\n"
" Are you trying to add to existing workspace with convertToMD, "
"which generates workspace with different number of dimensions?"));
}
}
//*********** fill in dimension id-s, dimension units and dimension names
// get default dim ID-s. TODO: it should be possibility to override it later;
std::vector<std::string> MatrDimID =
pQtransf->getDefaultDimID(m_Emode, m_InWS);
std::vector<std::string> MatrUnitID = pQtransf->outputUnitID(m_Emode, m_InWS);
for (unsigned int i = 0; i < m_NDims; i++) {
if (i < nMatrixDim) {
m_DimIDs[i] = MatrDimID[i];
m_DimNames[i] = MatrDimID[i];
m_DimUnits[i] = MatrUnitID[i];
} else {
m_DimIDs[i] = dimPropertyNames[i - nMatrixDim];
m_DimNames[i] = dimPropertyNames[i - nMatrixDim];
m_DimUnits[i] = dimPropertyNames[i - nMatrixDim];
}
}
}
/** Method takes min-max values from algorithm parameters if they are present or calculates default min-max values if these values
* were not supplied to the method or the supplied value is incorrect.
*
*@param inWS -- the shared pointer to the source workspace
*@param QMode -- the string which defines algorithms Q-conversion mode
*@param dEMode -- the string describes the algorithms energy conversion mode
*@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 otherDim -- the vector of other dimension names (if any)
* Input-output values:
*@param minVal -- the vector with min values for the algorithm
*@param maxVal -- the vector with max values for the algorithm
*
*
*/
void ConvertToMD::findMinMax(const Mantid::API::MatrixWorkspace_sptr &inWS,const std::string &QMode, const std::string &dEMode,
const std::string &QFrame,const std::string &ConvertTo,const std::vector<std::string> &otherDim,
std::vector<double> &minVal,std::vector<double> &maxVal)
{
// get raw pointer to Q-transformation (do not delete this pointer, it hold by MDTransfFatctory!)
MDTransfInterface* pQtransf = MDTransfFactory::Instance().create(QMode).get();
// get number of dimensions this Q transformation generates from the workspace.
auto iEmode = Kernel::DeltaEMode().fromString(dEMode);
// get total number of dimensions the workspace would have.
unsigned int nMatrixDim = pQtransf->getNMatrixDimensions(iEmode,inWS);
// total number of dimensions
size_t nDim =nMatrixDim+otherDim.size();
// probably already have well defined min-max values, so no point of pre-calculating them
bool wellDefined(true);
if((nDim == minVal.size()) && (minVal.size()==maxVal.size()))
{
// are they indeed well defined?
for(size_t i=0;i<minVal.size();i++)
{
if(minVal[i]>=maxVal[i]) // no it is ill defined
{
g_log.information()<<" Min Value: "<<minVal[i]<<" for dimension N: "<<i<<" equal or exceeds max value:"<<maxVal[i]<<std::endl;
wellDefined = false;
break;
}
}
if (wellDefined)return;
}
// we need to identify min-max values by themselves
Mantid::API::Algorithm_sptr childAlg = createChildAlgorithm("ConvertToMDMinMaxLocal");
if(!childAlg)throw(std::runtime_error("Can not create child ChildAlgorithm to found min/max values"));
childAlg->setPropertyValue("InputWorkspace", inWS->getName());
childAlg->setPropertyValue("QDimensions",QMode);
childAlg->setPropertyValue("dEAnalysisMode",dEMode);
childAlg->setPropertyValue("Q3DFrames",QFrame);
childAlg->setProperty("OtherDimensions",otherDim);
childAlg->setProperty("QConversionScales",ConvertTo);
childAlg->setProperty("PreprocDetectorsWS",std::string(getProperty("PreprocDetectorsWS")));
childAlg->execute();
if(!childAlg->isExecuted())throw(std::runtime_error("Can not properly execute child algorithm to find min/max workspace values"));
minVal = childAlg->getProperty("MinValues");
maxVal = childAlg->getProperty("MaxValues");
// if some min-max values for dimensions produce ws with 0 width in this direction, change it to have some width;
for(unsigned int i=0;i<nDim;i++)
{
if(minVal[i]>=maxVal[i])
{
g_log.debug()<<"identified min-max values for dimension N: "<<i<<" are equal. Modifying min-max value to produce dimension with 0.2*dimValue width\n";
if(minVal[i]>0)
{
minVal[i]*=0.9;
maxVal[i]*=1.1;
}
else if(minVal[i]==0)
{
minVal[i]=-0.1;
maxVal[i]=0.1;
}
else
{
minVal[i]*=1.1;
maxVal[i]*=0.9;
}
}
else // expand min-max values a bit to avoid cutting data on the edges
{
if (std::fabs(minVal[i])>FLT_EPSILON)
minVal[i]*=(1+2*FLT_EPSILON);
else
minVal[i]-=2*FLT_EPSILON;
if (std::fabs(minVal[i])>FLT_EPSILON)
maxVal[i]*=(1+2*FLT_EPSILON);
else
minVal[i]+=2*FLT_EPSILON;
}
}
if(!wellDefined) return;
// if only min or only max limits are defined and are well defined workspace, the algorithm will use these limits
std::vector<double> minAlgValues = this->getProperty("MinValues");
std::vector<double> maxAlgValues = this->getProperty("MaxValues");
bool allMinDefined = (minAlgValues.size()==nDim);
bool allMaxDefined = (maxAlgValues.size()==nDim);
if(allMinDefined || allMaxDefined)
{
for(size_t i=0;i<nDim;i++)
{
if (allMinDefined) minVal[i] = minAlgValues[i];
if (allMaxDefined) maxVal[i] = maxAlgValues[i];
}
}
}