/**
* Overridden remove member to delete its name held by the workspace itself.
* It is important to do if the workspace isn't deleted after removal.
* @param name The name of a workspace to remove.
*/
void AnalysisDataServiceImpl::remove(const std::string &name) {
Workspace_sptr ws;
try {
ws = retrieve(name);
} catch (Kernel::Exception::NotFoundError) {
// do nothing - remove will do what's needed
}
Kernel::DataService<API::Workspace>::remove(name);
if (ws) {
ws->setName("");
}
}
/**
* Make ADS entry to point to the given workspace.
*/
void ScopedWorkspace::set(Workspace_sptr newWS)
{
AnalysisDataServiceImpl& ads = AnalysisDataService::Instance();
if ( ! newWS->name().empty() && ads.doesExist( newWS->name() ) )
throw std::invalid_argument( "Workspace is already in the ADS under the name " + newWS->name() );
// Remove previous workspace entry
remove();
ads.add(m_name, newWS);
}
/** Execute the algorithm.
*/
void DgsReduction::exec()
{
// Reduction property manager
const std::string reductionManagerName = this->getProperty("ReductionProperties");
if (reductionManagerName.empty())
{
g_log.error() << "ERROR: Reduction Property Manager name is empty" << std::endl;
return;
}
this->reductionManager = boost::make_shared<PropertyManager>();
PropertyManagerDataService::Instance().addOrReplace(reductionManagerName,
this->reductionManager);
// Put all properties except input files/workspaces into property manager.
const std::vector<Property *> props = this->getProperties();
std::vector<Property *>::const_iterator iter = props.begin();
for (; iter != props.end(); ++iter)
{
if (!boost::contains((*iter)->name(), "Input"))
{
this->reductionManager->declareProperty((*iter)->clone());
}
}
// Determine the default facility
const FacilityInfo defaultFacility = ConfigService::Instance().getFacility();
// Need to load data to get certain bits of information.
Workspace_sptr sampleWS = this->loadInputData("Sample");
MatrixWorkspace_sptr WS = boost::dynamic_pointer_cast<MatrixWorkspace>(sampleWS);
this->reductionManager->declareProperty(new PropertyWithValue<std::string>(
"InstrumentName", WS->getInstrument()->getName()));
// Check the facility for the loaded file and make sure it's the
// same as the default.
const InstrumentInfo info = ConfigService::Instance().getInstrument(WS->getInstrument()->getName());
if (defaultFacility.name() != info.facility().name())
{
std::ostringstream mess;
mess << "Default facility must be set to " << info.facility().name();
mess << " in order for reduction to work!";
throw std::runtime_error(mess.str());
}
MatrixWorkspace_sptr sampleMonWS = this->getProperty("SampleInputMonitorWorkspace");
const bool showIntermedWS = this->getProperty("ShowIntermediateWorkspaces");
// Get output workspace pointer and name
MatrixWorkspace_sptr outputWS = this->getProperty("OutputWorkspace");
std::string outputWsName = this->getPropertyValue("OutputWorkspace");
if (boost::ends_with(outputWsName, "_spe"))
{
boost::erase_all(outputWsName, "_spe");
}
// Load the hard mask if available
MatrixWorkspace_sptr hardMaskWS = this->loadHardMask();
if (hardMaskWS && showIntermedWS)
{
std::string hardMaskName = outputWsName + "_hardmask";
this->declareProperty(new WorkspaceProperty<>("ReductionHardMask",
hardMaskName, Direction::Output));
this->setProperty("ReductionHardMask", hardMaskWS);
}
// Load the grouping file if available
MatrixWorkspace_sptr groupingWS = this->loadGroupingFile("");
if (groupingWS && showIntermedWS)
{
std::string groupName = outputWsName + "_grouping";
this->declareProperty(new WorkspaceProperty<>("ReductionGrouping",
groupName, Direction::Output));
this->setProperty("ReductionGrouping", groupingWS);
}
// This will be diagnostic mask if DgsDiagnose is run and hard mask if not.
MatrixWorkspace_sptr maskWS;
// Process the sample detector vanadium if present
Workspace_sptr detVanWS = this->loadInputData("DetectorVanadium", false);
MatrixWorkspace_sptr detVanMonWS = this->getProperty("DetectorVanadiumInputMonitorWorkspace");
bool isProcessedDetVan = this->getProperty("UseProcessedDetVan");
// Process a comparison detector vanadium if present
Workspace_sptr detVan2WS = this->loadInputData("DetectorVanadium2", false);
MatrixWorkspace_sptr detVan2MonWS = this->getProperty("DetectorVanadium2InputMonitorWorkspace");
IAlgorithm_sptr detVan;
Workspace_sptr idetVanWS;
if (detVanWS && !isProcessedDetVan)
{
std::string detVanMaskName = outputWsName + "_diagmask";
IAlgorithm_sptr diag = this->createChildAlgorithm("DgsDiagnose");
diag->setProperty("DetVanWorkspace", detVanWS);
diag->setProperty("DetVanMonitorWorkspace", detVanMonWS);
diag->setProperty("DetVanCompWorkspace", detVan2WS);
diag->setProperty("DetVanCompMonitorWorkspace", detVan2MonWS);
diag->setProperty("SampleWorkspace", sampleWS);
diag->setProperty("SampleMonitorWorkspace", sampleMonWS);
diag->setProperty("HardMaskWorkspace", hardMaskWS);
diag->setProperty("ReductionProperties", reductionManagerName);
diag->executeAsChildAlg();
maskWS = diag->getProperty("OutputWorkspace");
if (showIntermedWS)
{
this->declareProperty(new WorkspaceProperty<>("SampleDetVanDiagMask",
detVanMaskName, Direction::Output));
this->setProperty("SampleDetVanDiagMask", maskWS);
}
detVan = this->createChildAlgorithm("DgsProcessDetectorVanadium");
detVan->setProperty("InputWorkspace", detVanWS);
detVan->setProperty("InputMonitorWorkspace", detVanMonWS);
detVan->setProperty("MaskWorkspace", maskWS);
std::string idetVanName = outputWsName + "_idetvan";
detVan->setProperty("ReductionProperties", reductionManagerName);
detVan->executeAsChildAlg();
MatrixWorkspace_sptr oWS = detVan->getProperty("OutputWorkspace");
idetVanWS = boost::dynamic_pointer_cast<Workspace>(oWS);
if (showIntermedWS)
{
this->declareProperty(new WorkspaceProperty<>("IntegratedNormWorkspace",
idetVanName, Direction::Output));
this->setProperty("IntegratedNormWorkspace", idetVanWS);
}
}
else
{
idetVanWS = detVanWS;
maskWS = boost::dynamic_pointer_cast<MatrixWorkspace>(idetVanWS);
detVanWS.reset();
}
IAlgorithm_sptr etConv = this->createChildAlgorithm("DgsConvertToEnergyTransfer");
etConv->setProperty("InputWorkspace", sampleWS);
etConv->setProperty("InputMonitorWorkspace", sampleMonWS);
etConv->setProperty("IntegratedDetectorVanadium", idetVanWS);
const double ei = this->getProperty("IncidentEnergyGuess");
etConv->setProperty("IncidentEnergyGuess", ei);
if (!maskWS && hardMaskWS)
{
maskWS = hardMaskWS;
}
etConv->setProperty("MaskWorkspace", maskWS);
if (groupingWS)
{
etConv->setProperty("GroupingWorkspace", groupingWS);
}
etConv->setProperty("ReductionProperties", reductionManagerName);
std::string tibWsName = this->getPropertyValue("OutputWorkspace") + "_tib";
etConv->executeAsChildAlg();
outputWS = etConv->getProperty("OutputWorkspace");
MatrixWorkspace_sptr tibWS = etConv->getProperty("OutputTibWorkspace");
if (tibWS && showIntermedWS)
{
this->declareProperty(new WorkspaceProperty<>("SampleTibWorkspace",
tibWsName, Direction::Output));
this->setProperty("SampleTibWorkspace", tibWS);
}
Workspace_sptr absSampleWS = this->loadInputData("AbsUnitsSample", false);
// Perform absolute normalisation if necessary
if (absSampleWS)
{
std::string absWsName = outputWsName + "_absunits";
// Collect the other workspaces first.
MatrixWorkspace_sptr absSampleMonWS = this->getProperty("AbsUnitsSampleInputMonitorWorkspace");
Workspace_sptr absDetVanWS = this->loadInputData("AbsUnitsDetectorVanadium", false);
MatrixWorkspace_sptr absDetVanMonWS = this->getProperty("AbsUnitsDetectorVanadiumInputMonitorWorkspace");
MatrixWorkspace_sptr absGroupingWS = this->loadGroupingFile("AbsUnits");
// Run the absolute normalisation reduction
IAlgorithm_sptr absUnitsRed = this->createChildAlgorithm("DgsAbsoluteUnitsReduction");
absUnitsRed->setProperty("InputWorkspace", absSampleWS);
absUnitsRed->setProperty("InputMonitorWorkspace", absSampleMonWS);
absUnitsRed->setProperty("DetectorVanadiumWorkspace", absDetVanWS);
absUnitsRed->setProperty("DetectorVanadiumMonitorWorkspace",
absDetVanMonWS);
absUnitsRed->setProperty("GroupingWorkspace", absGroupingWS);
absUnitsRed->setProperty("MaskWorkspace", maskWS);
absUnitsRed->setProperty("ReductionProperties", reductionManagerName);
absUnitsRed->executeAsChildAlg();
MatrixWorkspace_sptr absUnitsWS = absUnitsRed->getProperty("OutputWorkspace");
//!!! There is Property outputMaskWorkspace to get masks? It looks like one is using wrong property for masks
MatrixWorkspace_sptr absMaskWS = absUnitsRed->getProperty("OutputWorkspace");
IAlgorithm_sptr mask = this->createChildAlgorithm("MaskDetectors");
mask->setProperty("Workspace", outputWS);
mask->setProperty("MaskedWorkspace", absMaskWS);
mask->executeAsChildAlg();
outputWS = mask->getProperty("Workspace");
// Do absolute normalisation
outputWS = divide(outputWS, absUnitsWS);
if (showIntermedWS)
{
this->declareProperty(new WorkspaceProperty<>("AbsUnitsWorkspace",
absWsName, Direction::Output));
this->setProperty("AbsUnitsWorkspace", absUnitsWS);
this->declareProperty(new WorkspaceProperty<>("AbsUnitsDiagMask",
outputWsName+"_absunits_diagmask", Direction::Output));
this->setProperty("AbsUnitsDiagMask", absMaskWS);
}
}
// Convert from DeltaE to powder S(Q,W)
const bool doPowderConvert = this->getProperty("DoPowderDataConversion");
if (doPowderConvert)
{
g_log.notice() << "Converting to powder S(Q,W)" << std::endl;
// Collect information
std::string sqwWsName = outputWsName + "_pd_sqw";
std::vector<double> qBinning = this->getProperty("PowderMomTransferRange");
const double initialEnergy = boost::lexical_cast<double>(outputWS->run().getProperty("Ei")->value());
IAlgorithm_sptr sofqw = this->createChildAlgorithm("SofQW3");
sofqw->setProperty("InputWorkspace", outputWS);
sofqw->setProperty("QAxisBinning", qBinning);
sofqw->setProperty("EMode", "Direct");
sofqw->setProperty("EFixed", initialEnergy);
sofqw->executeAsChildAlg();
MatrixWorkspace_sptr sqwWS = sofqw->getProperty("OutputWorkspace");
this->declareProperty(new WorkspaceProperty<>("PowderSqwWorkspace",
sqwWsName, Direction::Output));
this->setProperty("PowderSqwWorkspace", sqwWS);
const bool saveProcNexus = this->getProperty("SavePowderNexusFile");
if (saveProcNexus)
{
std::string saveProcNexusFilename = this->getProperty("SavePowderNexusFilename");
if (saveProcNexusFilename.empty())
{
saveProcNexusFilename = sqwWsName + ".nxs";
}
IAlgorithm_sptr saveNxs = this->createChildAlgorithm("SaveNexus");
saveNxs->setProperty("InputWorkspace", sqwWS);
saveNxs->setProperty("Filename", saveProcNexusFilename);
saveNxs->executeAsChildAlg();
}
}
this->setProperty("OutputWorkspace", outputWS);
}
/** Executes the algorithm.
*
* @throw runtime_error Thrown if algorithm cannot execute
*/
void SaveNexusProcessed::exec()
{
//TODO: Remove?
NXMEnableErrorReporting();
Workspace_sptr inputWorkspace = getProperty("InputWorkspace");
boost::shared_ptr<WorkspaceGroup> wsGrpSptr =
boost::dynamic_pointer_cast<WorkspaceGroup>(inputWorkspace);
if(wsGrpSptr)
{
processGroups(wsGrpSptr, this->getProperties());
return;
}
Progress prog_init(this, 0.0, 0.3, 5);
// Retrieve the filename from the properties
m_filename = getPropertyValue("Filename");
//m_entryname = getPropertyValue("EntryName");
m_title = getPropertyValue("Title");
// Do we prserve events?
bool PreserveEvents = getProperty("PreserveEvents");
MatrixWorkspace_const_sptr matrixWorkspace = boost::dynamic_pointer_cast<const MatrixWorkspace>(inputWorkspace);
ITableWorkspace_const_sptr tableWorkspace = boost::dynamic_pointer_cast<const ITableWorkspace>(inputWorkspace);
// check if inputWorkspace is something we know how to save
if (!matrixWorkspace && !tableWorkspace)
return;
m_eventWorkspace = boost::dynamic_pointer_cast<const EventWorkspace>(matrixWorkspace);
// If no title's been given, use the workspace title field
if (m_title.empty())
m_title = inputWorkspace->getTitle();
// If we don't want to append then remove the file if it already exists
bool append_to_file = getProperty("Append");
if( !append_to_file )
{
Poco::File file(m_filename);
if( file.exists() )
file.remove();
}
const std::string workspaceID = inputWorkspace->id();
if ((workspaceID.find("Workspace2D") == std::string::npos) &&
!m_eventWorkspace && !tableWorkspace)
throw Exception::NotImplementedError("SaveNexusProcessed passed invalid workspaces. Must be Workspace2D, EventWorkspace or ITableWorkspace.");
Mantid::NeXus::NexusFileIO *nexusFile= new Mantid::NeXus::NexusFileIO();
if( nexusFile->openNexusWrite( m_filename ) != 0 )
throw Exception::FileError("Failed to open file", m_filename);
// Equivalent C++ API handle
::NeXus::File * cppFile = new ::NeXus::File(nexusFile->fileID);
prog_init.reportIncrement(1, "Opening file");
if( nexusFile->writeNexusProcessedHeader( m_title ) != 0 )
throw Exception::FileError("Failed to write to file", m_filename);
prog_init.reportIncrement(1, "Writing header");
// write instrument data, if present and writer enabled
if (matrixWorkspace)
{
// Save the instrument names, ParameterMap, sample, run
matrixWorkspace->saveExperimentInfoNexus(cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
// check if all X() are in fact the same array
const bool uniformSpectra = API::WorkspaceHelpers::commonBoundaries(matrixWorkspace);
// Retrieve the workspace indices (from params)
std::vector<int> spec;
this->getSpectrumList(spec, matrixWorkspace);
// Write out the data (2D or event)
if (m_eventWorkspace && PreserveEvents)
{
this->execEvent(nexusFile,uniformSpectra,spec);
}
else
{
nexusFile->writeNexusProcessedData2D(matrixWorkspace,uniformSpectra,spec, "workspace", true);
}
// MW 27/10/10 - don't try and save the spectra-detector map if there isn't one
if ( matrixWorkspace->getAxis(1)->isSpectra() )
{
cppFile->openGroup("instrument", "NXinstrument");
matrixWorkspace->saveSpectraMapNexus(cppFile, spec, ::NeXus::LZW);
cppFile->closeGroup();
}
} // finish matrix workspace specifics
if (tableWorkspace)
{
nexusFile->writeNexusTableWorkspace(tableWorkspace,"table_workspace");
}
nexusFile->writeNexusProcessedProcess(inputWorkspace);
nexusFile->closeNexusFile();
delete nexusFile;
return;
}
/** Execute the algorithm.
*/
void ClearUB::exec() {
Workspace_sptr ws = getProperty("Workspace");
bool doesClear = doExecute(ws.get(), false /* Not a dry run*/);
this->setProperty("DoesClear", doesClear);
}
void LoadFlexiNexus::addMetaData(NeXus::File *fin, Workspace_sptr ws,
ExperimentInfo_sptr info) {
std::map<std::string, std::string>::const_iterator it;
// assign a title
if ((it = dictionary.find("title")) == dictionary.end()) {
const std::string title("No title found");
ws->setTitle(title);
} else {
if (it->second.find('/') == it->second.npos) {
const std::string title(it->second);
ws->setTitle(title);
} else {
if (safeOpenpath(fin, it->second)) {
const std::string title = fin->getStrData();
ws->setTitle(title);
}
}
}
// assign a sample name
std::string sample;
if ((it = dictionary.find("sample")) == dictionary.end()) {
sample = "No sample found";
} else {
if (it->second.find('/') == it->second.npos) {
sample = it->second;
} else {
if (safeOpenpath(fin, it->second)) {
sample = fin->getStrData();
} else {
sample = "Sampe plath not found";
}
}
}
info->mutableSample().setName(sample);
/**
* load all the extras into the Run information
*/
Run &r = info->mutableRun();
std::set<std::string> specialMap = populateSpecialMap();
for (it = dictionary.begin(); it != dictionary.end(); ++it) {
if (specialMap.find(it->first) == specialMap.end()) {
// not in specials!
if (it->second.find('/') == it->second.npos) {
r.addProperty(it->first, it->second, true);
} else {
if (safeOpenpath(fin, it->second)) {
NeXus::Info inf = fin->getInfo();
if (inf.type == ::NeXus::CHAR) {
std::string data = fin->getStrData();
r.addProperty(it->first, data, true);
} else if (inf.type == ::NeXus::FLOAT32 ||
inf.type == ::NeXus::FLOAT64) {
std::vector<double> data;
fin->getDataCoerce(data);
r.addProperty(it->first, data, true);
} else {
std::vector<int> data;
fin->getDataCoerce(data);
r.addProperty(it->first, data, true);
}
}
}
}
}
}
/** Executes the algorithm.
*
* @throw runtime_error Thrown if algorithm cannot execute
*/
void SaveNexusProcessed::exec()
{
//TODO: Remove?
NXMEnableErrorReporting();
Workspace_sptr inputWorkspace = getProperty("InputWorkspace");
// Retrieve the filename from the properties
m_filename = getPropertyValue("Filename");
//m_entryname = getPropertyValue("EntryName");
m_title = getPropertyValue("Title");
// Do we prserve events?
bool PreserveEvents = getProperty("PreserveEvents");
MatrixWorkspace_const_sptr matrixWorkspace = boost::dynamic_pointer_cast<const MatrixWorkspace>(inputWorkspace);
ITableWorkspace_const_sptr tableWorkspace = boost::dynamic_pointer_cast<const ITableWorkspace>(inputWorkspace);
PeaksWorkspace_const_sptr peaksWorkspace = boost::dynamic_pointer_cast<const PeaksWorkspace>(inputWorkspace);
OffsetsWorkspace_const_sptr offsetsWorkspace = boost::dynamic_pointer_cast<const OffsetsWorkspace>(inputWorkspace);
if(peaksWorkspace) g_log.debug("We have a peaks workspace");
// check if inputWorkspace is something we know how to save
if (!matrixWorkspace && !tableWorkspace) {
g_log.debug() << "Workspace " << m_title << " not saved because it is not of a type we can presently save.\n";
return;
}
m_eventWorkspace = boost::dynamic_pointer_cast<const EventWorkspace>(matrixWorkspace);
const std::string workspaceID = inputWorkspace->id();
if ((workspaceID.find("Workspace2D") == std::string::npos) &&
(workspaceID.find("RebinnedOutput") == std::string::npos) &&
!m_eventWorkspace && !tableWorkspace && !offsetsWorkspace)
throw Exception::NotImplementedError("SaveNexusProcessed passed invalid workspaces. Must be Workspace2D, EventWorkspace, ITableWorkspace, or OffsetsWorkspace.");
// Create progress object for initial part - depends on whether events are processed
if( PreserveEvents && m_eventWorkspace)
{
m_timeProgInit = 0.07; // Events processed 0.05 to 1.0
}
else
{
m_timeProgInit = 1.0; // All work is done in the initial part
}
Progress prog_init(this, 0.0, m_timeProgInit, 7);
// If no title's been given, use the workspace title field
if (m_title.empty())
m_title = inputWorkspace->getTitle();
// If we don't want to append then remove the file if it already exists
bool append_to_file = getProperty("Append");
if( !append_to_file )
{
Poco::File file(m_filename);
if( file.exists() )
file.remove();
}
// Then immediately open the file
Mantid::NeXus::NexusFileIO *nexusFile= new Mantid::NeXus::NexusFileIO( &prog_init );
nexusFile->openNexusWrite( m_filename );
// Equivalent C++ API handle
::NeXus::File * cppFile = new ::NeXus::File(nexusFile->fileID);
prog_init.reportIncrement(1, "Opening file");
if( nexusFile->writeNexusProcessedHeader( m_title ) != 0 )
throw Exception::FileError("Failed to write to file", m_filename);
prog_init.reportIncrement(1, "Writing header");
// write instrument data, if present and writer enabled
if (matrixWorkspace)
{
// Save the instrument names, ParameterMap, sample, run
matrixWorkspace->saveExperimentInfoNexus(cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
// check if all X() are in fact the same array
const bool uniformSpectra = API::WorkspaceHelpers::commonBoundaries(matrixWorkspace);
// Retrieve the workspace indices (from params)
std::vector<int> spec;
this->getSpectrumList(spec, matrixWorkspace);
prog_init.reportIncrement(1, "Writing data");
// Write out the data (2D or event)
if (m_eventWorkspace && PreserveEvents)
{
this->execEvent(nexusFile,uniformSpectra,spec);
}
else if (offsetsWorkspace)
{
g_log.warning() << "Writing SpecialWorkspace2D ID=" << workspaceID << "\n";
nexusFile->writeNexusProcessedData2D(matrixWorkspace,uniformSpectra,spec, "offsets_workspace", true);
}
else
{
nexusFile->writeNexusProcessedData2D(matrixWorkspace,uniformSpectra,spec, "workspace", true);
}
// MW 27/10/10 - don't try and save the spectra-detector map if there isn't one
if ( matrixWorkspace->getAxis(1)->isSpectra() )
{
cppFile->openGroup("instrument", "NXinstrument");
matrixWorkspace->saveSpectraMapNexus(cppFile, spec, ::NeXus::LZW);
cppFile->closeGroup();
}
} // finish matrix workspace specifics
if (peaksWorkspace)
{
// Save the instrument names, ParameterMap, sample, run
peaksWorkspace->saveExperimentInfoNexus(cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
}
// peaks workspace specifics
if (peaksWorkspace)
{
// g_log.information("Peaks Workspace saving to Nexus would be done");
// int pNum = peaksWorkspace->getNumberPeaks();
peaksWorkspace->saveNexus( cppFile );
} // finish peaks workspace specifics
else if (tableWorkspace) // Table workspace specifics
{
nexusFile->writeNexusTableWorkspace(tableWorkspace,"table_workspace");
} // finish table workspace specifics
// Switch to the Cpp API for the algorithm history
inputWorkspace->getHistory().saveNexus(cppFile);
nexusFile->closeNexusFile();
delete nexusFile;
return;
}
void SaveNexusProcessed::doExec(Workspace_sptr inputWorkspace,
Mantid::NeXus::NexusFileIO_sptr &nexusFile,
const bool keepFile,
optional_size_t entryNumber) {
// TODO: Remove?
NXMEnableErrorReporting();
// Retrieve the filename from the properties
m_filename = getPropertyValue("Filename");
// m_entryname = getPropertyValue("EntryName");
m_title = getPropertyValue("Title");
// Do we prserve events?
bool PreserveEvents = getProperty("PreserveEvents");
MatrixWorkspace_const_sptr matrixWorkspace =
boost::dynamic_pointer_cast<const MatrixWorkspace>(inputWorkspace);
ITableWorkspace_const_sptr tableWorkspace =
boost::dynamic_pointer_cast<const ITableWorkspace>(inputWorkspace);
PeaksWorkspace_const_sptr peaksWorkspace =
boost::dynamic_pointer_cast<const PeaksWorkspace>(inputWorkspace);
OffsetsWorkspace_const_sptr offsetsWorkspace =
boost::dynamic_pointer_cast<const OffsetsWorkspace>(inputWorkspace);
if (peaksWorkspace)
g_log.debug("We have a peaks workspace");
// check if inputWorkspace is something we know how to save
if (!matrixWorkspace && !tableWorkspace) {
// get the workspace name for the error message
std::string name = getProperty("InputWorkspace");
// md workspaces should be saved using SaveMD
if (bool(boost::dynamic_pointer_cast<const IMDEventWorkspace>(
inputWorkspace)) ||
bool(boost::dynamic_pointer_cast<const IMDHistoWorkspace>(
inputWorkspace)))
g_log.warning() << name << " can be saved using SaveMD\n";
// standard error message
std::stringstream msg;
msg << "Workspace \"" << name
<< "\" not saved because it is not of a type we can presently save.";
throw std::runtime_error(msg.str());
}
m_eventWorkspace =
boost::dynamic_pointer_cast<const EventWorkspace>(matrixWorkspace);
const std::string workspaceID = inputWorkspace->id();
if ((workspaceID.find("Workspace2D") == std::string::npos) &&
(workspaceID.find("RebinnedOutput") == std::string::npos) &&
!m_eventWorkspace && !tableWorkspace && !offsetsWorkspace)
throw Exception::NotImplementedError(
"SaveNexusProcessed passed invalid workspaces. Must be Workspace2D, "
"EventWorkspace, ITableWorkspace, or OffsetsWorkspace.");
// Create progress object for initial part - depends on whether events are
// processed
if (PreserveEvents && m_eventWorkspace) {
m_timeProgInit = 0.07; // Events processed 0.05 to 1.0
} else {
m_timeProgInit = 1.0; // All work is done in the initial part
}
Progress prog_init(this, 0.0, m_timeProgInit, 7);
// If no title's been given, use the workspace title field
if (m_title.empty())
m_title = inputWorkspace->getTitle();
// get the workspace name to write to file
std::string wsName = inputWorkspace->getName();
// If we don't want to append then remove the file if it already exists
bool append_to_file = getProperty("Append");
if (!append_to_file && !keepFile) {
Poco::File file(m_filename);
if (file.exists())
file.remove();
}
nexusFile->resetProgress(&prog_init);
nexusFile->openNexusWrite(m_filename, entryNumber);
// Equivalent C++ API handle
auto cppFile = new ::NeXus::File(nexusFile->fileID);
prog_init.reportIncrement(1, "Opening file");
if (nexusFile->writeNexusProcessedHeader(m_title, wsName) != 0)
throw Exception::FileError("Failed to write to file", m_filename);
prog_init.reportIncrement(1, "Writing header");
// write instrument data, if present and writer enabled
if (matrixWorkspace) {
// Save the instrument names, ParameterMap, sample, run
matrixWorkspace->saveExperimentInfoNexus(cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
// check if all X() are in fact the same array
const bool uniformSpectra =
API::WorkspaceHelpers::commonBoundaries(*matrixWorkspace);
// Retrieve the workspace indices (from params)
std::vector<int> spec;
this->getSpectrumList(spec, matrixWorkspace);
prog_init.reportIncrement(1, "Writing data");
// Write out the data (2D or event)
if (m_eventWorkspace && PreserveEvents) {
this->execEvent(nexusFile.get(), uniformSpectra, spec);
} else if (offsetsWorkspace) {
g_log.warning() << "Writing SpecialWorkspace2D ID=" << workspaceID
<< "\n";
nexusFile->writeNexusProcessedData2D(matrixWorkspace, uniformSpectra,
spec, "offsets_workspace", true);
} else {
nexusFile->writeNexusProcessedData2D(matrixWorkspace, uniformSpectra,
spec, "workspace", true);
}
cppFile->openGroup("instrument", "NXinstrument");
matrixWorkspace->saveSpectraMapNexus(cppFile, spec, ::NeXus::LZW);
cppFile->closeGroup();
} // finish matrix workspace specifics
if (peaksWorkspace) {
// Save the instrument names, ParameterMap, sample, run
peaksWorkspace->saveExperimentInfoNexus(cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
}
// peaks workspace specifics
if (peaksWorkspace) {
// g_log.information("Peaks Workspace saving to Nexus would be done");
// int pNum = peaksWorkspace->getNumberPeaks();
peaksWorkspace->saveNexus(cppFile);
} // finish peaks workspace specifics
else if (tableWorkspace) // Table workspace specifics
{
nexusFile->writeNexusTableWorkspace(tableWorkspace, "table_workspace");
} // finish table workspace specifics
// Switch to the Cpp API for the algorithm history
if (trackingHistory()) {
m_history->fillAlgorithmHistory(
this, Mantid::Kernel::DateAndTime::getCurrentTime(), 0,
Algorithm::g_execCount);
if (!isChild()) {
inputWorkspace->history().addHistory(m_history);
}
// this is a child algorithm, but we still want to keep the history.
else if (isRecordingHistoryForChild() && m_parentHistory) {
m_parentHistory->addChildHistory(m_history);
}
}
inputWorkspace->history().saveNexus(cppFile);
nexusFile->closeGroup();
}
