/** Execute the algorithm.
*/
void CreateGroupingWorkspace::exec() {
MatrixWorkspace_sptr inWS = getProperty("InputWorkspace");
std::string InstrumentName = getPropertyValue("InstrumentName");
std::string InstrumentFilename = getPropertyValue("InstrumentFilename");
std::string OldCalFilename = getPropertyValue("OldCalFilename");
std::string GroupNames = getPropertyValue("GroupNames");
std::string grouping = getPropertyValue("GroupDetectorsBy");
int numGroups = getProperty("FixedGroupCount");
std::string componentName = getPropertyValue("ComponentName");
// Some validation
int numParams = 0;
if (inWS)
numParams++;
if (!InstrumentName.empty())
numParams++;
if (!InstrumentFilename.empty())
numParams++;
if (numParams > 1)
throw std::invalid_argument("You must specify exactly ONE way to get an "
"instrument (workspace, instrument name, or "
"IDF file). You specified more than one.");
if (numParams == 0)
throw std::invalid_argument("You must specify exactly ONE way to get an "
"instrument (workspace, instrument name, or "
"IDF file). You specified none.");
if (!OldCalFilename.empty() && !GroupNames.empty())
throw std::invalid_argument("You must specify either to use the "
"OldCalFilename parameter OR GroupNames but "
"not both!");
bool sortnames = false;
// ---------- Get the instrument one of 3 ways ---------------------------
Instrument_const_sptr inst;
if (inWS) {
inst = inWS->getInstrument();
} else {
Algorithm_sptr childAlg = createChildAlgorithm("LoadInstrument", 0.0, 0.2);
MatrixWorkspace_sptr tempWS = boost::make_shared<Workspace2D>();
childAlg->setProperty<MatrixWorkspace_sptr>("Workspace", tempWS);
childAlg->setPropertyValue("Filename", InstrumentFilename);
childAlg->setProperty("RewriteSpectraMap",
Mantid::Kernel::OptionalBool(true));
childAlg->setPropertyValue("InstrumentName", InstrumentName);
childAlg->executeAsChildAlg();
inst = tempWS->getInstrument();
}
if (GroupNames.empty() && OldCalFilename.empty()) {
if (grouping.compare("All") == 0) {
GroupNames = inst->getName();
} else if (inst->getName().compare("SNAP") == 0 &&
grouping.compare("Group") == 0) {
GroupNames = "East,West";
} else {
sortnames = true;
GroupNames = "";
int maxRecurseDepth = this->getProperty("MaxRecursionDepth");
// cppcheck-suppress syntaxError
PRAGMA_OMP(parallel for schedule(dynamic, 1) )
for (int num = 0; num < 300; ++num) {
PARALLEL_START_INTERUPT_REGION
std::ostringstream mess;
mess << grouping << num;
IComponent_const_sptr comp =
inst->getComponentByName(mess.str(), maxRecurseDepth);
PARALLEL_CRITICAL(GroupNames)
if (comp)
GroupNames += mess.str() + ",";
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
}
}
// --------------------------- Create the output --------------------------
auto outWS = boost::make_shared<GroupingWorkspace>(inst);
this->setProperty("OutputWorkspace", outWS);
// This will get the grouping
std::map<detid_t, int> detIDtoGroup;
Progress prog(this, 0.2, 1.0, outWS->getNumberHistograms());
// Make the grouping one of three ways:
if (!GroupNames.empty())
detIDtoGroup = makeGroupingByNames(GroupNames, inst, prog, sortnames);
else if (!OldCalFilename.empty())
detIDtoGroup = readGroupingFile(OldCalFilename, prog);
else if ((numGroups > 0) && !componentName.empty())
detIDtoGroup =
makeGroupingByNumGroups(componentName, numGroups, inst, prog);
g_log.information() << detIDtoGroup.size()
<< " entries in the detectorID-to-group map.\n";
setProperty("NumberGroupedSpectraResult",
static_cast<int>(detIDtoGroup.size()));
if (detIDtoGroup.empty()) {
g_log.warning() << "Creating empty group workspace\n";
setProperty("NumberGroupsResult", static_cast<int>(0));
} else {
size_t numNotFound = 0;
// Make the groups, if any
std::map<detid_t, int>::const_iterator it_end = detIDtoGroup.end();
std::map<detid_t, int>::const_iterator it;
std::unordered_set<int> groupCount;
for (it = detIDtoGroup.begin(); it != it_end; ++it) {
int detID = it->first;
int group = it->second;
groupCount.insert(group);
try {
outWS->setValue(detID, double(group));
} catch (std::invalid_argument &) {
numNotFound++;
}
}
setProperty("NumberGroupsResult", static_cast<int>(groupCount.size()));
if (numNotFound > 0)
g_log.warning() << numNotFound << " detector IDs (out of "
<< detIDtoGroup.size()
<< ") were not found in the instrument\n.";
}
}
/** 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;
}
