/**
* Attempts to load a grouping information referenced by IDF.
* @param instrument :: Intrument which we went the grouping for
* @param mainFieldDirection :: (MUSR) orientation of the instrument
* @return Grouping information
*/
boost::shared_ptr<Grouping> getGroupingFromIDF(Instrument_const_sptr instrument,
const std::string& mainFieldDirection)
{
std::string parameterName = "Default grouping file";
// Special case for MUSR, because it has two possible groupings
if (instrument->getName() == "MUSR")
{
parameterName.append(" - " + mainFieldDirection);
}
std::vector<std::string> groupingFiles = instrument->getStringParameter(parameterName);
if ( groupingFiles.size() == 1 )
{
const std::string groupingFile = groupingFiles[0];
// Get search directory for XML instrument definition files (IDFs)
std::string directoryName = ConfigService::Instance().getInstrumentDirectory();
auto loadedGrouping = boost::make_shared<Grouping>();
loadGroupingFromXML(directoryName + groupingFile, *loadedGrouping);
return loadedGrouping;
}
else
{
throw std::runtime_error("Multiple groupings specified for the instrument");
}
}
/** 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 Child Algorithms successfully
*/
void ReadGroupsFromFile::exec()
{
MatrixWorkspace_const_sptr ws = getProperty("InstrumentWorkspace");
// Get the instrument.
Instrument_const_sptr inst = ws->getInstrument();
// Create a copy (without the data) of the workspace - it will contain the
Workspace2D_sptr localWorkspace =
boost::dynamic_pointer_cast<Workspace2D>(WorkspaceFactory::Instance().create(ws, ws->getNumberHistograms(), 2, 1));
if (!localWorkspace)
throw std::runtime_error("Failed when creating a Workspace2D from the input!");
const std::string groupfile=getProperty("GroupingFilename");
if ( ! groupfile.empty() )
{
std::string filename(groupfile);
std::transform(filename.begin(), filename.end(), filename.begin(), tolower);
if ( filename.find(".xml") != std::string::npos )
{
readXMLGroupingFile(groupfile);
}
else
{
readGroupingFile(groupfile);
}
}
// Get the instrument.
const int64_t nHist=localWorkspace->getNumberHistograms();
// Determine whether the user wants to see unselected detectors or not
const std::string su=getProperty("ShowUnselected");
bool showunselected=(!su.compare("True"));
bool success=false;
for (int64_t i=0;i<nHist;i++)
{
ISpectrum * spec = localWorkspace->getSpectrum(i);
const std::set<detid_t> & dets = spec->getDetectorIDs();
if (dets.empty()) // Nothing
{
spec->dataY()[0]=0.0;
continue;
}
// Find the first detector ID in the list
calmap::const_iterator it=calibration.find(*dets.begin());
if (it==calibration.end()) //Could not find the detector
{
spec->dataY()[0]=0.0;
continue;
}
if (showunselected)
{
if (((*it).second).second==0)
spec->dataY()[0]=0.0;
else
spec->dataY()[0]=static_cast<double>(((*it).second).first);
}
else
spec->dataY()[0]=static_cast<double>(((*it).second).first);
if (!success) success=true; //At least one detector is found in the cal file
}
progress(1);
calibration.clear();
if (!success) //Do some cleanup
{
localWorkspace.reset();
throw std::runtime_error("Fail to found a detector in "+groupfile+" existing in instrument "+inst->getName());
}
setProperty("OutputWorkspace",localWorkspace);
return;
}
/** Execute the algorithm.
*/
void CreateChunkingFromInstrument::exec() {
// get the instrument
Instrument_const_sptr inst = this->getInstrument();
// setup the output workspace
ITableWorkspace_sptr strategy =
WorkspaceFactory::Instance().createTable("TableWorkspace");
strategy->addColumn("str", "BankName");
this->setProperty("OutputWorkspace", strategy);
// get the correct level of grouping
string groupLevel = this->getPropertyValue(PARAM_CHUNK_BY);
vector<string> groupNames =
getGroupNames(this->getPropertyValue(PARAM_CHUNK_NAMES));
if (groupLevel.compare("All") == 0) {
return; // nothing to do
} else if (inst->getName().compare("SNAP") == 0 &&
groupLevel.compare("Group") == 0) {
groupNames.clear();
groupNames.push_back("East");
groupNames.push_back("West");
}
// set up a progress bar with the "correct" number of steps
int maxBankNum = this->getProperty(PARAM_MAX_BANK_NUM);
Progress progress(this, .2, 1., maxBankNum);
// search the instrument for the bank names
int maxRecurseDepth = this->getProperty(PARAM_MAX_RECURSE);
map<string, vector<string>> grouping;
// cppcheck-suppress syntaxError
PRAGMA_OMP(parallel for schedule(dynamic, 1) )
for (int num = 0; num < maxBankNum; ++num) {
PARALLEL_START_INTERUPT_REGION
ostringstream mess;
mess << "bank" << num;
IComponent_const_sptr comp =
inst->getComponentByName(mess.str(), maxRecurseDepth);
PARALLEL_CRITICAL(grouping)
if (comp) {
// get the name of the correct parent
string parent;
if (groupNames.empty()) {
parent = parentName(comp, groupLevel);
} else {
parent = parentName(comp, groupNames);
}
// add it to the correct chunk
if (!parent.empty()) {
if (grouping.count(parent) == 0)
grouping[parent] = vector<string>();
grouping[parent].push_back(comp->getName());
}
}
progress.report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// check to see that something happened
if (grouping.empty())
throw std::runtime_error("Failed to find any banks in the instrument");
// fill in the table workspace
for (auto group = grouping.begin(); group != grouping.end(); ++group) {
stringstream banks;
for (auto bank = group->second.begin(); bank != group->second.end();
++bank)
banks << (*bank) << ",";
// remove the trailing comma
string banksStr = banks.str();
banksStr = banksStr.substr(0, banksStr.size() - 1);
// add it to the table
TableRow row = strategy->appendRow();
row << banksStr;
}
}
/** 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 Child Algorithms successfully
*/
void CreateDummyCalFile::exec()
{
// Get the input workspace
MatrixWorkspace_const_sptr inputW = getProperty("InputWorkspace");
if (!inputW)
throw std::invalid_argument("No InputWorkspace");
//Get some stuff from the input workspace
Instrument_const_sptr inst = inputW->getInstrument();
std::string instname = inst->getName();
// Check that the instrument is in store
// Get only the first 3 letters
std::string instshort=instname;
std::transform(instshort.begin(),instshort.end(),instshort.begin(),toupper);
instshort=instshort+"_Definition.xml";
// Determine the search directory for XML instrument definition files (IDFs)
std::string directoryName = Kernel::ConfigService::Instance().getInstrumentDirectory();
// Set up the DOM parser and parse xml file
DOMParser pParser;
Document* pDoc;
try
{
pDoc = pParser.parse(directoryName+instshort);
}
catch(...)
{
g_log.error("Unable to parse file " + m_filename);
throw Kernel::Exception::FileError("Unable to parse File:" , m_filename);
}
// Get pointer to root element
Element* pRootElem = pDoc->documentElement();
if ( !pRootElem->hasChildNodes() )
{
g_log.error("XML file: " + m_filename + "contains no root element.");
throw Kernel::Exception::InstrumentDefinitionError("No root element in XML instrument file", m_filename);
}
// Handle used in the singleton constructor for instrument file should append the value
// of the last-modified tag inside the file to determine if it is already in memory so that
// changes to the instrument file will cause file to be reloaded.
auto temp = instshort + pRootElem->getAttribute("last-modified");// Generate the mangled name by hand (old-style)
// If instrument not in store, insult the user
if (!API::InstrumentDataService::Instance().doesExist(temp))
{
Mantid::Geometry::IDFObject idf(directoryName+instshort);
temp = idf.getMangledName(); // new style.
if (!API::InstrumentDataService::Instance().doesExist(temp))
{
g_log.error("Instrument "+instshort+" is not present in data store.");
throw std::runtime_error("Instrument "+instshort+" is not present in data store.");
}
}
// Get the names of groups
groups=instname;
// Split the names of the group and insert in a vector, throw if group empty
std::vector<std::string> vgroups;
boost::split( vgroups, instname, boost::algorithm::detail::is_any_ofF<char>(",/*"));
if (vgroups.empty())
{
g_log.error("Could not determine group names. Group names should be separated by / or ,");
throw std::runtime_error("Could not determine group names. Group names should be separated by / or ,");
}
// Assign incremental number to each group
std::map<std::string,int> group_map;
int index=0;
for (std::vector<std::string>::const_iterator it=vgroups.begin(); it!=vgroups.end(); ++it)
group_map[(*it)]=++index;
// Not needed anymore
vgroups.clear();
// Find Detectors that belong to groups
typedef boost::shared_ptr<const Geometry::ICompAssembly> sptr_ICompAss;
typedef boost::shared_ptr<const Geometry::IComponent> sptr_IComp;
typedef boost::shared_ptr<const Geometry::IDetector> sptr_IDet;
std::queue< std::pair<sptr_ICompAss,int> > assemblies;
sptr_ICompAss current=boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(inst);
sptr_IDet currentDet;
sptr_IComp currentIComp;
sptr_ICompAss currentchild;
int top_group, child_group;
if (current.get())
{
top_group=group_map[current->getName()]; // Return 0 if not in map
assemblies.push(std::make_pair(current,top_group));
}
std::string filename=getProperty("CalFilename");
// Plan to overwrite file, so do not check if it exists
bool overwrite=false;
int number=0;
Progress prog(this,0.0,0.8,assemblies.size());
while(!assemblies.empty()) //Travel the tree from the instrument point
{
current=assemblies.front().first;
top_group=assemblies.front().second;
assemblies.pop();
int nchilds=current->nelements();
if (nchilds!=0)
{
for (int i=0; i<nchilds; ++i)
{
currentIComp=(*(current.get()))[i]; // Get child
currentDet=boost::dynamic_pointer_cast<const Geometry::IDetector>(currentIComp);
if (currentDet.get())// Is detector
{
if (overwrite) // Map will contains udet as the key
instrcalib[currentDet->getID()]=std::make_pair(number++,top_group);
else // Map will contains the entry number as the key
instrcalib[number++]=std::make_pair(currentDet->getID(),top_group);
}
else // Is an assembly, push in the queue
{
currentchild=boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(currentIComp);
if (currentchild.get())
{
child_group=group_map[currentchild->getName()];
if (child_group==0)
child_group=top_group;
assemblies.push(std::make_pair(currentchild,child_group));
}
}
}
}
prog.report();
}
// Write the results in a file
saveGroupingFile(filename,overwrite);
progress(0.2);
return;
}
/** Execute the algorithm.
*/
void SaveIsawPeaks::exec()
{
// Section header
std::string header = "2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG";
std::string filename = getPropertyValue("Filename");
PeaksWorkspace_sptr ws = getProperty("InputWorkspace");
std::vector<Peak> peaks = ws->getPeaks();
// We must sort the peaks first by run, then bank #, and save the list of workspace indices of it
typedef std::map<int, std::vector<size_t> > bankMap_t;
typedef std::map<int, bankMap_t> runMap_t;
std::set<int> uniqueBanks;
runMap_t runMap;
for (size_t i=0; i < peaks.size(); ++i)
{
Peak & p = peaks[i];
int run = p.getRunNumber();
int bank = 0;
std::string bankName = p.getBankName();
if (bankName.size() <= 4)
{
g_log.information() << "Could not interpret bank number of peak " << i << "(" << bankName << ")\n";
continue;
}
// Take out the "bank" part of the bank name and convert to an int
bankName = bankName.substr(4, bankName.size()-4);
Strings::convert(bankName, bank);
// Save in the map
runMap[run][bank].push_back(i);
// Track unique bank numbers
uniqueBanks.insert(bank);
}
Instrument_const_sptr inst = ws->getInstrument();
if (!inst) throw std::runtime_error("No instrument in PeaksWorkspace. Cannot save peaks file.");
double l1; V3D beamline; double beamline_norm; V3D samplePos;
inst->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
std::ofstream out;
bool append = getProperty("AppendFile");
if (append)
{
out.open( filename.c_str(), std::ios::app);
}
else
{
out.open( filename.c_str());
out << "Version: 2.0 Facility: SNS " ;
out << " Instrument: " << inst->getName() << " Date: " ;
//TODO: The experiment date might be more useful than the instrument date.
// For now, this allows the proper instrument to be loaded back after saving.
Kernel::DateAndTime expDate = inst->getValidFromDate() + 1.0;
out << expDate.to_ISO8601_string() << std::endl;
out << "6 L1 T0_SHIFT" << std::endl;
out << "7 "<< std::setw( 10 ) ;
out << std::setprecision( 4 ) << std::fixed << ( l1*100 ) ;
out << std::setw( 12 ) << std::setprecision( 3 ) << std::fixed ;
// Time offset of 0.00 for now
out << "0.000" << std::endl;
// ============================== Save .detcal info =========================================
if (true)
{
out << "4 DETNUM NROWS NCOLS WIDTH HEIGHT DEPTH DETD CenterX CenterY CenterZ BaseX BaseY BaseZ UpX UpY UpZ"
<< std::endl;
// Here would save each detector...
std::set<int>::iterator it;
for (it = uniqueBanks.begin(); it != uniqueBanks.end(); it++)
{
// Build up the bank name
int bank = *it;
std::ostringstream mess;
mess << "bank" << bank;
std::string bankName = mess.str();
// Retrieve it
RectangularDetector_const_sptr det = boost::dynamic_pointer_cast<const RectangularDetector>(inst->getComponentByName(bankName));
if (det)
{
// Center of the detector
V3D center = det->getPos();
// Distance to center of detector
double detd = (center - inst->getSample()->getPos()).norm();
// Base unit vector (along the horizontal, X axis)
V3D base = det->getAtXY(det->xpixels()-1,0)->getPos() - det->getAtXY(0,0)->getPos();
base.normalize();
// Up unit vector (along the vertical, Y axis)
V3D up = det->getAtXY(0,det->ypixels()-1)->getPos() - det->getAtXY(0,0)->getPos();
up.normalize();
// Write the line
out << "5 "
<< std::setw(6) << std::right << bank << " "
<< std::setw(6) << std::right << det->xpixels() << " "
<< std::setw(6) << std::right << det->ypixels() << " "
<< std::setw(7) << std::right << std::fixed << std::setprecision(4) << 100.0*det->xsize() << " "
<< std::setw(7) << std::right << std::fixed << std::setprecision(4) << 100.0*det->ysize() << " "
<< " 0.2000 "
<< std::setw(6) << std::right << std::fixed << std::setprecision(2) << 100.0*detd << " "
<< std::setw(9) << std::right << std::fixed << std::setprecision(4) << 100.0*center.X() << " "
<< std::setw(9) << std::right << std::fixed << std::setprecision(4) << 100.0*center.Y() << " "
<< std::setw(9) << std::right << std::fixed << std::setprecision(4) << 100.0*center.Z() << " "
<< std::setw(8) << std::right << std::fixed << std::setprecision(5) << base.X() << " "
<< std::setw(8) << std::right << std::fixed << std::setprecision(5) << base.Y() << " "
<< std::setw(8) << std::right << std::fixed << std::setprecision(5) << base.Z() << " "
<< std::setw(8) << std::right << std::fixed << std::setprecision(5) << up.X() << " "
<< std::setw(8) << std::right << std::fixed << std::setprecision(5) << up.Y() << " "
<< std::setw(8) << std::right << std::fixed << std::setprecision(5) << up.Z() << " "
<< std::endl;
}
}
}
}
// ============================== Save all Peaks =========================================
// Sequence number
int seqNum = 1;
// Go in order of run numbers
runMap_t::iterator runMap_it;
for (runMap_it = runMap.begin(); runMap_it != runMap.end(); runMap_it++)
{
// Start of a new run
int run = runMap_it->first;
bankMap_t & bankMap = runMap_it->second;
bankMap_t::iterator bankMap_it;
for (bankMap_it = bankMap.begin(); bankMap_it != bankMap.end(); bankMap_it++)
{
// Start of a new bank.
int bank = bankMap_it->first;
std::vector<size_t> & ids = bankMap_it->second;
if (ids.size() > 0)
{
// Write the bank header
out << "0 NRUN DETNUM CHI PHI OMEGA MONCNT" << std::endl;
out << "1" << std::setw( 5 ) << run << std::setw( 7 ) <<
std::right << bank;
// Determine goniometer angles by calculating from the goniometer matrix of a peak in the list
Goniometer gon(peaks[ids[0]].getGoniometerMatrix());
std::vector<double> angles = gon.getEulerAngles("yzy");
double phi = angles[2];
double chi = angles[1];
double omega = angles[0];
out << std::setw( 7 ) << std::fixed << std::setprecision( 2 ) << chi << " ";
out << std::setw( 7 ) << std::fixed << std::setprecision( 2 ) << phi << " ";
out << std::setw( 7 ) << std::fixed << std::setprecision( 2 ) << omega << " ";
out << std::setw( 7 ) << (int)( 0 ) << std::endl;
out << header << std::endl;
// Go through each peak at this run / bank
for (size_t i=0; i < ids.size(); i++)
{
size_t wi = ids[i];
Peak & p = peaks[wi];
// Sequence (run) number
out << "3" << std::setw( 7 ) << seqNum;
// HKL is flipped by -1 due to different q convention in ISAW vs mantid.
out << std::setw( 5 ) << Utils::round(-p.getH())
<< std::setw( 5 ) << Utils::round(-p.getK())
<< std::setw( 5 ) << Utils::round(-p.getL());
// Row/column
out << std::setw( 8 ) << std::fixed << std::setprecision( 2 )
<< static_cast<double>(p.getCol()) << " ";
out << std::setw( 8 ) << std::fixed << std::setprecision( 2 )
<< static_cast<double>(p.getRow()) << " ";
out << std::setw( 8 ) << std::fixed << std::setprecision( 0 )
<< p.getTOF() << " ";
out << std::setw( 9 ) << std::fixed << std::setprecision( 3 )
<< (p.getL2()*100.0) << " ";
// This is the scattered beam direction
V3D dir = p.getDetPos() - inst->getSample()->getPos();
double scattering, azimuth;
// Two-theta = polar angle = scattering angle = between +Z vector and the scattered beam
scattering = dir.angle( V3D(0.0, 0.0, 1.0) );
// "Azimuthal" angle: project the beam onto the XY plane, and measure the angle between that and the +X axis (right-handed)
azimuth = atan2( dir.Y(), dir.X() );
out << std::setw( 9 ) << std::fixed << std::setprecision( 5 )
<< scattering << " "; //two-theta scattering
out << std::setw( 9 ) << std::fixed << std::setprecision( 5 )
<< azimuth << " ";
out << std::setw( 10 ) << std::fixed << std::setprecision( 6 )
<< p.getWavelength() << " ";
out << std::setw( 9 ) << std::fixed << std::setprecision( 4 )
<< p.getDSpacing() << " ";
out << std::setw( 8 ) << std::fixed << int(p.getBinCount()) << std::setw( 10 ) << " "
<< std::fixed << std::setprecision( 2 ) << p.getIntensity() << " ";
out << std::setw( 7 ) << std::fixed << std::setprecision( 2 )
<< p.getSigmaIntensity() << " ";
int thisReflag = 310;
out << std::setw( 5 ) << thisReflag;
out << std::endl;
// Count the sequence
seqNum++;
}
}
}
}
out.flush();
out.close();
// //REMOVE:
// std::string line;
// std::ifstream myfile (filename.c_str());
// if (myfile.is_open())
// {
// while ( myfile.good() )
// {
// getline (myfile,line);
// std::cout << line << std::endl;
// }
// myfile.close();
// }
}
/** Reads the calibration file.
*
* @param calFileName :: path to the old .cal file
* @param groupWS :: optional, GroupingWorkspace to save. Will be 0 if not specified.
* @param offsetsWS :: optional, OffsetsWorkspace to save. Will be 0.0 if not specified.
* @param maskWS :: optional, masking-type workspace to save. Will be 1 (selected) if not specified.
*/
void SaveCalFile::saveCalFile(const std::string& calFileName,
GroupingWorkspace_sptr groupWS, OffsetsWorkspace_sptr offsetsWS, MaskWorkspace_sptr maskWS)
{
Instrument_const_sptr inst;
bool doGroup = false;
if (groupWS)
{
doGroup = true;
inst = groupWS->getInstrument();
}
bool doOffsets = false;
if (offsetsWS) {
doOffsets = true;
inst = offsetsWS->getInstrument();
}
bool doMask = false;
if (maskWS)
{
doMask = true;
inst = maskWS->getInstrument();
if (!inst)
g_log.warning() << "Mask workspace " << maskWS->name() << " has no instrument associated with." << "\n";
}
g_log.information() << "Status: doGroup = " << doGroup << " doOffsets = " << doOffsets
<< " doMask = " << doMask << "\n";
if (!inst)
throw std::invalid_argument("You must give at least one of the grouping, offsets or masking workspaces.");
// Header of the file
std::ofstream fout(calFileName.c_str());
fout <<"# Calibration file for instrument " << inst->getName() << " written on "
<< DateAndTime::getCurrentTime().toISO8601String() << ".\n";
fout <<"# Format: number UDET offset select group\n";
// Get all the detectors
detid2det_map allDetectors;
inst->getDetectors(allDetectors);
int64_t number=0;
detid2det_map::const_iterator it;
for (it = allDetectors.begin(); it != allDetectors.end(); ++it)
{
detid_t detectorID = it->first;
// Geometry::IDetector_const_sptr det = it->second;
//Find the offset, if any
double offset = 0.0;
if (doOffsets)
offset = offsetsWS->getValue(detectorID, 0.0);
//Find the group, if any
int64_t group = 1;
if (doGroup)
group = static_cast<int64_t>(groupWS->getValue(detectorID, 0.0));
// Find the selection, if any
int selected = 1;
if (doMask && (maskWS->isMasked(detectorID)))
selected = 0;
//if(group > 0)
fout << std::fixed << std::setw(9) << number <<
std::fixed << std::setw(15) << detectorID <<
std::fixed << std::setprecision(7) << std::setw(15)<< offset <<
std::fixed << std::setw(8) << selected <<
std::fixed << std::setw(8) << group << "\n";
number++;
}
}
/**
* Make a map of the conversion factors between tof and D-spacing
* for all pixel IDs in a workspace.
* map vulcan should contain the module/module and stack/stack offset
*
* @param vulcan :: map between detector ID and vulcan correction factor.
* @param offsetsWS :: OffsetsWorkspace to be filled.
*/
void LoadDspacemap::CalculateOffsetsFromVulcanFactors(
std::map<detid_t, double> &vulcan,
Mantid::DataObjects::OffsetsWorkspace_sptr offsetsWS) {
// Get a pointer to the instrument contained in the workspace
// At this point, instrument VULCAN has been created?
Instrument_const_sptr instrument = offsetsWS->getInstrument();
g_log.notice() << "Name of instrument = " << instrument->getName()
<< std::endl;
g_log.notice() << "Input map (dict): size = " << vulcan.size() << std::endl;
// To get all the detector ID's
detid2det_map allDetectors;
instrument->getDetectors(allDetectors);
detid2det_map::const_iterator it;
int numfinds = 0;
g_log.notice() << "Input number of detectors = " << allDetectors.size()
<< std::endl;
// Get detector information
double l1, beamline_norm;
Kernel::V3D beamline, samplePos;
instrument->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
/*** A survey of parent detector
std::map<detid_t, bool> parents;
for (it = allDetectors.begin(); it != allDetectors.end(); it++){
int32_t detid = it->first;
// def boost::shared_ptr<const Mantid::Geometry::IDetector>
IDetector_const_sptr;
std::string parentname =
it->second->getParent()->getComponentID()->getName();
g_log.notice() << "Name = " << parentname << std::endl;
// parents.insert(parentid, true);
}
***/
/*** Here some special configuration for VULCAN is hard-coded here!
* Including (1) Super-Parent Information
***/
Kernel::V3D referencePos;
detid_t anydetinrefmodule = 21 * 1250 + 5;
std::map<detid_t, Geometry::IDetector_const_sptr>::iterator det_iter =
allDetectors.find(anydetinrefmodule);
if (det_iter == allDetectors.end()) {
throw std::invalid_argument("Any Detector ID is Instrument's detector");
}
referencePos = det_iter->second->getParent()->getPos();
double refl2 = referencePos.norm();
double halfcosTwoThetaRef =
referencePos.scalar_prod(beamline) / (refl2 * beamline_norm);
double sinThetaRef = sqrt(0.5 - halfcosTwoThetaRef);
double difcRef = sinThetaRef * (l1 + refl2) / CONSTANT;
// Loop over all detectors in instrument to find the offset
for (it = allDetectors.begin(); it != allDetectors.end(); ++it) {
int detectorID = it->first;
Geometry::IDetector_const_sptr det = it->second;
double offset = 0.0;
// Find the vulcan factor;
double vulcan_factor = 0.0;
std::map<detid_t, double>::const_iterator vulcan_iter =
vulcan.find(detectorID);
if (vulcan_iter != vulcan.end()) {
vulcan_factor = vulcan_iter->second;
numfinds++;
}
// g_log.notice() << "Selected Detector with ID = " << detectorID << " ID2
// = " << id2 << std::endl; proved to be same
double intermoduleoffset = 0;
double interstackoffset = 0;
detid_t intermoduleid = detid_t(detectorID / 1250) * 1250 + 1250 - 2;
vulcan_iter = vulcan.find(intermoduleid);
if (vulcan_iter == vulcan.end()) {
g_log.error() << "Cannot find inter-module offset ID = " << intermoduleid
<< std::endl;
} else {
intermoduleoffset = vulcan_iter->second;
}
detid_t interstackid = detid_t(detectorID / 1250) * 1250 + 1250 - 1;
vulcan_iter = vulcan.find(interstackid);
if (vulcan_iter == vulcan.end()) {
g_log.error() << "Cannot find inter-module offset ID = " << intermoduleid
<< std::endl;
} else {
interstackoffset = vulcan_iter->second;
}
/*** This is the previous way to correct upon DIFC[module center pixel]
// The actual factor is 10^(-value_in_the_file)
vulcan_factor = pow(10.0,-vulcan_factor);
// At this point, tof_corrected = vulcan_factor * tof_input
// So this is the offset
offset = vulcan_factor - 1.0;
***/
/*** New approach to correct based on DIFC of each pixel
* Equation: offset = DIFC^(pixel)/DIFC^(parent)*(1+vulcan_offset)-1
* offset should be close to 0
***/
// 1. calculate DIFC
Kernel::V3D detPos;
detPos = det->getPos();
// Now detPos will be set with respect to samplePos
detPos -= samplePos;
double l2 = detPos.norm();
double halfcosTwoTheta =
detPos.scalar_prod(beamline) / (l2 * beamline_norm);
double sinTheta = sqrt(0.5 - halfcosTwoTheta);
double difc_pixel = sinTheta * (l1 + l2) / CONSTANT;
// Kernel::V3D parentPos = det->getParent()->getPos();
// parentPos -= samplePos;
// double l2parent = parentPos.norm();
// double halfcosTwoThetaParent = parentPos.scalar_prod(beamline)/(l2 *
// beamline_norm);
// double sinThetaParent = sqrt(0.5 - halfcosTwoThetaParent);
// double difc_parent = sinThetaParent*(l1+l2parent)/CONSTANT;
/*** Offset Replicate Previous Result
offset = difc_pixel/difc_parent*(pow(10.0, -vulcan_factor))-1.0;
***/
offset =
difc_pixel / difcRef * (pow(10.0, -(vulcan_factor + intermoduleoffset +
interstackoffset))) -
1.0;
// Save in the map
try {
offsetsWS->setValue(detectorID, offset);
if (intermoduleid != 27498 && intermoduleid != 28748 &&
intermoduleid != 29998 && intermoduleid != 33748 &&
intermoduleid != 34998 && intermoduleid != 36248) {
g_log.error() << "Detector ID = " << detectorID
<< " Inter-Module ID = " << intermoduleid << std::endl;
throw std::invalid_argument("Indexing error!");
}
} catch (std::invalid_argument &) {
g_log.notice() << "Misses Detector ID = " << detectorID << std::endl;
}
} // for
g_log.notice() << "Number of matched detectors =" << numfinds << std::endl;
}
/** 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.";
}
}
