/**
* This function gets the input workspace. In the case for a RebinnedOutput
* workspace, it must be cleaned before proceeding. Other workspaces are
* untouched.
* @return the input workspace, cleaned if necessary
*/
MatrixWorkspace_sptr Integration::getInputWorkspace() {
MatrixWorkspace_sptr temp = getProperty("InputWorkspace");
if (temp->id() == "RebinnedOutput") {
// Clean the input workspace in the RebinnedOutput case for nan's and
// inf's in order to treat the data correctly later.
IAlgorithm_sptr alg = this->createChildAlgorithm("ReplaceSpecialValues");
alg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", temp);
std::string outName = "_" + temp->getName() + "_clean";
alg->setProperty("OutputWorkspace", outName);
alg->setProperty("NaNValue", 0.0);
alg->setProperty("NaNError", 0.0);
alg->setProperty("InfinityValue", 0.0);
alg->setProperty("InfinityError", 0.0);
alg->executeAsChildAlg();
temp = alg->getProperty("OutputWorkspace");
}
// To integrate point data it will be converted to histograms
if (!temp->isHistogramData()) {
auto alg = this->createChildAlgorithm("ConvertToHistogram");
alg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", temp);
std::string outName = "_" + temp->getName() + "_histogram";
alg->setProperty("OutputWorkspace", outName);
alg->executeAsChildAlg();
temp = alg->getProperty("OutputWorkspace");
temp->setDistribution(true);
}
return temp;
}
/**
* This function creates the output workspace. In the case of a RebinnedOutput
* workspace, the resulting workspace only needs to be a Workspace2D to handle
* the integration. Other workspaces are handled normally.
*
* @param inWS input workspace to integrate
* @param minSpec minimum spectrum to integrate
* @param maxSpec maximum spectrum to integrate
*
* @return the output workspace
*/
MatrixWorkspace_sptr Integration::getOutputWorkspace(MatrixWorkspace_sptr inWS,
const int minSpec,
const int maxSpec) {
if (inWS->id() == "RebinnedOutput") {
MatrixWorkspace_sptr outWS = API::WorkspaceFactory::Instance().create(
"Workspace2D", maxSpec - minSpec + 1, 2, 1);
API::WorkspaceFactory::Instance().initializeFromParent(inWS, outWS, true);
return outWS;
} else {
return API::WorkspaceFactory::Instance().create(inWS, maxSpec - minSpec + 1,
2, 1);
}
}
/**
* This function gets the input workspace. In the case for a RebinnedOutput
* workspace, it must be cleaned before proceeding. Other workspaces are
* untouched.
* @return the input workspace, cleaned if necessary
*/
MatrixWorkspace_const_sptr Integration::getInputWorkspace()
{
MatrixWorkspace_sptr temp = getProperty("InputWorkspace");
if (temp->id() == "RebinnedOutput")
{
// Clean the input workspace in the RebinnedOutput case for nan's and
// inf's in order to treat the data correctly later.
IAlgorithm_sptr alg = this->createChildAlgorithm("ReplaceSpecialValues");
alg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", temp);
std::string outName = "_"+temp->getName()+"_clean";
alg->setProperty("OutputWorkspace", outName);
alg->setProperty("NaNValue", 0.0);
alg->setProperty("NaNError", 0.0);
alg->setProperty("InfinityValue", 0.0);
alg->setProperty("InfinityError", 0.0);
alg->executeAsChildAlg();
temp = alg->getProperty("OutputWorkspace");
}
return temp;
}
/**
* Executes the algorithm.
* Saves the workspace specified by the user to the VTK XML format
*/
void SaveVTK::exec()
{
std::string filename = getProperty("Filename");
g_log.debug() << "Parameters: Filename='" << filename << "'" << std::endl;
//add extension
filename += ".vtu";
MatrixWorkspace_sptr inputWorkspace = getProperty("InputWorkspace");
if( !inputWorkspace )
{
g_log.error("Failed to retrieve inputWorkspace.");
throw Exception::NullPointerException("SaveVTK::exec()", "inputWorkspace");
}
checkOptionalProperties();
//Open file for writing
std::ofstream outVTP(filename.c_str());
if( !outVTP )
{
g_log.error("Failed to open file: " + filename);
throw Exception::FileError("Failed to open file ", filename);
}
// First write document level XML header
outVTP << "<?xml version=\"1.0\"?>\n"
"<VTKFile type=\"UnstructuredGrid\" version=\"0.1\" byte_order=\"LittleEndian\">\n"
"<UnstructuredGrid>\n";
const std::string workspaceID = inputWorkspace->id();
if( workspaceID.find("Workspace2D") != std::string::npos )
{
const Workspace2D_sptr localWorkspace =
boost::dynamic_pointer_cast<Workspace2D>(inputWorkspace);
// const size_t numberOfHist = localWorkspace->getNumberHistograms();
//Write out whole range
bool xMin(m_Xmin > 0.0), xMax(m_Xmax > 0.0);
Progress prog(this,0.0,1.0,97);
if( !xMin && !xMax )
{
for( int hNum = 2; hNum < 100; ++hNum )
{
writeVTKPiece(outVTP, localWorkspace->dataX(hNum), localWorkspace->dataY(hNum),
localWorkspace->dataE(hNum), hNum);
prog.report();
}
}
else
{
for( int hNum = 2; hNum < 100; ++hNum )
{
std::vector<double> xValue, yValue, errors;
std::vector<double>::size_type nVals(localWorkspace->dataY(hNum).size());
for( int i = 0; i < (int)nVals; ++i )
{
if( xMin && localWorkspace->dataX(hNum)[i] < m_Xmin ) continue;
if( xMax && localWorkspace->dataX(hNum)[i+1] > m_Xmax)
{
xValue.push_back(localWorkspace->dataX(hNum)[i]);
break;
}
xValue.push_back(localWorkspace->dataX(hNum)[i]);
if( i == (int)nVals - 1 )
{
xValue.push_back(localWorkspace->dataX(hNum)[i+1]);
}
yValue.push_back(localWorkspace->dataY(hNum)[i]);
errors.push_back(localWorkspace->dataE(hNum)[i]);
}
//sanity check
assert( (int)xValue.size() == (int)yValue.size() + 1 );
writeVTKPiece(outVTP, xValue, yValue, errors, hNum);
prog.report();
}
}
}
else
{
outVTP.close();
Poco::File(filename).remove();
throw Exception::NotImplementedError("SaveVTK only implemented for Workspace2D\n");
}
// Final XML end block tags
outVTP << "</UnstructuredGrid>\n</VTKFile>\n";
outVTP.close();
}
