void BbyDetectorBankFactory::createAndAssign(size_t startIndex,
const Kernel::V3D &pos,
const Kernel::Quat &rot) const {
// create a RectangularDetector which represents a rectangular array of pixels
Geometry::RectangularDetector *bank = new Geometry::RectangularDetector(
"bank",
m_instrument.get()); // Bank gets registered with instrument component.
// instrument acts as sink and manages lifetime.
bank->initialize(m_pixelShape,
// x
static_cast<int>(m_xPixelCount), 0, m_pixelWidth,
// y
static_cast<int>(m_yPixelCount), 0, m_pixelHeight,
// indices
static_cast<int>(startIndex), true,
static_cast<int>(m_yPixelCount));
for (size_t x = 0; x < m_xPixelCount; ++x)
for (size_t y = 0; y < m_yPixelCount; ++y)
m_instrument->markAsDetector(
bank->getAtXY(static_cast<int>(x), static_cast<int>(y)).get());
Kernel::V3D center(m_center);
rot.rotate(center);
bank->rotate(rot);
bank->translate(pos - center);
}
Peak PeakHKLErrors::createNewPeak(const Geometry::IPeak &peak_old,
Geometry::Instrument_sptr instrNew, double T0,
double L0) {
Geometry::Instrument_const_sptr inst = peak_old.getInstrument();
if (inst->getComponentID() != instrNew->getComponentID()) {
g_log.error("All peaks must have the same instrument");
throw std::invalid_argument("All peaks must have the same instrument");
}
double T = peak_old.getTOF() + T0;
int ID = peak_old.getDetectorID();
Kernel::V3D hkl = peak_old.getHKL();
// peak_old.setDetectorID(ID); //set det positions
Peak peak(instrNew, ID, peak_old.getWavelength(), hkl,
peak_old.getGoniometerMatrix());
Wavelength wl;
wl.initialize(L0, peak.getL2(), peak.getScattering(), 0,
peak_old.getInitialEnergy(), 0.0);
peak.setWavelength(wl.singleFromTOF(T));
peak.setIntensity(peak_old.getIntensity());
peak.setSigmaIntensity(peak_old.getSigmaIntensity());
peak.setRunNumber(peak_old.getRunNumber());
peak.setBinCount(peak_old.getBinCount());
//!!!peak.setDetectorID(ID);
return peak;
}
/**
* Read Event Data
* @param eventEntries map of the file entries that have events
* @param nxFile Reads data from inside first top entry
* @return Names of workspaces to include in the output group
*/
std::vector<std::string> LoadMcStas::readEventData(
const std::map<std::string, std::string> &eventEntries,
::NeXus::File &nxFile) {
// vector to store output workspaces
std::vector<std::string> scatteringWSNames;
std::string filename = getPropertyValue("Filename");
auto entries = nxFile.getEntries();
const bool errorBarsSetTo1 = getProperty("ErrorBarsSetTo1");
// will assume that each top level entry contain one mcstas
// generated IDF and any event data entries within this top level
// entry are data collected for that instrument
// This code for loading the instrument is for now adjusted code from
// ExperimentalInfo.
// Close data folder and go back to top level. Then read and close the
// Instrument folder.
nxFile.closeGroup();
Geometry::Instrument_sptr instrument;
// Initialize progress reporting
int reports = 2;
const double progressFractionInitial = 0.1;
Progress progInitial(this, 0.0, progressFractionInitial, reports);
std::string instrumentXML;
progInitial.report("Loading instrument");
try {
nxFile.openGroup("instrument", "NXinstrument");
nxFile.openGroup("instrument_xml", "NXnote");
nxFile.readData("data", instrumentXML);
nxFile.closeGroup();
nxFile.closeGroup();
} catch (...) {
g_log.warning()
<< "\nCould not find the instrument description in the Nexus file:"
<< filename << " Ignore eventdata from the Nexus file\n";
return scatteringWSNames;
;
}
try {
std::string instrumentName = "McStas";
Geometry::InstrumentDefinitionParser parser(filename, instrumentName,
instrumentXML);
std::string instrumentNameMangled = parser.getMangledName();
// Check whether the instrument is already in the InstrumentDataService
if (InstrumentDataService::Instance().doesExist(instrumentNameMangled)) {
// If it does, just use the one from the one stored there
instrument =
InstrumentDataService::Instance().retrieve(instrumentNameMangled);
} else {
// Really create the instrument
instrument = parser.parseXML(nullptr);
// Add to data service for later retrieval
InstrumentDataService::Instance().add(instrumentNameMangled, instrument);
}
} catch (Exception::InstrumentDefinitionError &e) {
g_log.warning()
<< "When trying to read the instrument description in the Nexus file: "
<< filename << " the following error is reported: " << e.what()
<< " Ignore eventdata from the Nexus file\n";
return scatteringWSNames;
;
} catch (...) {
g_log.warning()
<< "Could not parse instrument description in the Nexus file: "
<< filename << " Ignore eventdata from the Nexus file\n";
return scatteringWSNames;
;
}
// Finished reading Instrument. Then open new data folder again
nxFile.openGroup("data", "NXdetector");
// create and prepare an event workspace ready to receive the mcstas events
progInitial.report("Set up EventWorkspace");
EventWorkspace_sptr eventWS(new EventWorkspace());
// initialize, where create up front number of eventlists = number of
// detectors
eventWS->initialize(instrument->getNumberDetectors(), 1, 1);
// Set the units
eventWS->getAxis(0)->unit() = UnitFactory::Instance().create("TOF");
eventWS->setYUnit("Counts");
// set the instrument
eventWS->setInstrument(instrument);
// assign detector ID to eventlists
std::vector<detid_t> detIDs = instrument->getDetectorIDs();
for (size_t i = 0; i < instrument->getNumberDetectors(); i++) {
eventWS->getSpectrum(i).addDetectorID(detIDs[i]);
// spectrum number are treated as equal to detector IDs for McStas data
eventWS->getSpectrum(i).setSpectrumNo(detIDs[i]);
}
// the one is here for the moment for backward compatibility
eventWS->rebuildSpectraMapping(true);
bool isAnyNeutrons = false;
// to store shortest and longest recorded TOF
double shortestTOF(0.0);
double longestTOF(0.0);
// create vector container all the event output workspaces needed
const size_t numEventEntries = eventEntries.size();
std::string nameOfGroupWS = getProperty("OutputWorkspace");
const auto eventDataTotalName = "EventData_" + nameOfGroupWS;
std::vector<std::pair<EventWorkspace_sptr, std::string>> allEventWS = {
{eventWS, eventDataTotalName}};
// if numEventEntries > 1 also create separate event workspaces
const bool onlySummedEventWorkspace =
getProperty("OutputOnlySummedEventWorkspace");
if (!onlySummedEventWorkspace && numEventEntries > 1) {
for (const auto &eventEntry : eventEntries) {
const std::string &dataName = eventEntry.first;
// create container to hold partial event data
// plus the name users will see for it
const auto ws_name = dataName + "_" + nameOfGroupWS;
allEventWS.emplace_back(eventWS->clone(), ws_name);
}
}
Progress progEntries(this, progressFractionInitial, 1.0, numEventEntries * 2);
// Refer to entry in allEventWS. The first non-summed workspace index is 1
auto eventWSIndex = 1u;
// Loop over McStas event data components
for (const auto &eventEntry : eventEntries) {
const std::string &dataName = eventEntry.first;
const std::string &dataType = eventEntry.second;
// open second level entry
nxFile.openGroup(dataName, dataType);
std::vector<double> data;
nxFile.openData("events");
progEntries.report("read event data from nexus");
// Need to take into account that the nexus readData method reads a
// multi-column data entry
// into a vector
// The number of data column for each neutron is here hardcoded to (p, x,
// y, n, id, t)
// Thus we have
// column 0 : p neutron wight
// column 1 : x x coordinate
// column 2 : y y coordinate
// column 3 : n accumulated number of neutrons
// column 4 : id pixel id
// column 5 : t time
// get info about event data
::NeXus::Info id_info = nxFile.getInfo();
if (id_info.dims.size() != 2) {
g_log.error() << "Event data in McStas nexus file not loaded. Expected "
"event data block to be two dimensional\n";
return scatteringWSNames;
;
}
int64_t nNeutrons = id_info.dims[0];
int64_t numberOfDataColumn = id_info.dims[1];
if (nNeutrons && numberOfDataColumn != 6) {
g_log.error() << "Event data in McStas nexus file expecting 6 columns\n";
return scatteringWSNames;
;
}
if (!isAnyNeutrons && nNeutrons > 0)
isAnyNeutrons = true;
std::vector<int64_t> start(2);
std::vector<int64_t> step(2);
// read the event data in blocks. 1 million event is 1000000*6*8 doubles
// about 50Mb
int64_t nNeutronsInBlock = 1000000;
int64_t nOfFullBlocks = nNeutrons / nNeutronsInBlock;
int64_t nRemainingNeutrons = nNeutrons - nOfFullBlocks * nNeutronsInBlock;
// sum over number of blocks + 1 to cover the remainder
for (int64_t iBlock = 0; iBlock < nOfFullBlocks + 1; iBlock++) {
if (iBlock == nOfFullBlocks) {
// read remaining neutrons
start[0] = nOfFullBlocks * nNeutronsInBlock;
start[1] = 0;
step[0] = nRemainingNeutrons;
step[1] = numberOfDataColumn;
} else {
// read neutrons in a full block
start[0] = iBlock * nNeutronsInBlock;
start[1] = 0;
step[0] = nNeutronsInBlock;
step[1] = numberOfDataColumn;
}
const int64_t nNeutronsForthisBlock =
step[0]; // number of neutrons read for this block
data.resize(nNeutronsForthisBlock * numberOfDataColumn);
// Check that the type is what it is supposed to be
if (id_info.type == ::NeXus::FLOAT64) {
nxFile.getSlab(&data[0], start, step);
} else {
g_log.warning()
<< "Entry event field is not FLOAT64! It will be skipped.\n";
continue;
}
// populate workspace with McStas events
const detid2index_map detIDtoWSindex_map =
allEventWS[0].first->getDetectorIDToWorkspaceIndexMap(true);
progEntries.report("read event data into workspace");
for (int64_t in = 0; in < nNeutronsForthisBlock; in++) {
const int detectorID =
static_cast<int>(data[4 + numberOfDataColumn * in]);
const double detector_time = data[5 + numberOfDataColumn * in] *
1.0e6; // convert to microseconds
if (in == 0 && iBlock == 0) {
shortestTOF = detector_time;
longestTOF = detector_time;
} else {
if (detector_time < shortestTOF)
shortestTOF = detector_time;
if (detector_time > longestTOF)
longestTOF = detector_time;
}
const size_t workspaceIndex =
detIDtoWSindex_map.find(detectorID)->second;
int64_t pulse_time = 0;
auto weightedEvent = WeightedEvent();
if (errorBarsSetTo1) {
weightedEvent = WeightedEvent(detector_time, pulse_time,
data[numberOfDataColumn * in], 1.0);
} else {
weightedEvent = WeightedEvent(
detector_time, pulse_time, data[numberOfDataColumn * in],
data[numberOfDataColumn * in] * data[numberOfDataColumn * in]);
}
allEventWS[0].first->getSpectrum(workspaceIndex) += weightedEvent;
if (!onlySummedEventWorkspace && numEventEntries > 1) {
allEventWS[eventWSIndex].first->getSpectrum(workspaceIndex) +=
weightedEvent;
}
}
eventWSIndex++;
} // end reading over number of blocks of an event dataset
nxFile.closeData();
nxFile.closeGroup();
} // end reading over number of event datasets
// Create a default TOF-vector for histogramming, for now just 2 bins
// 2 bins is the standard. However for McStas simulation data it may make
// sense to
// increase this number for better initial visual effect
auto axis = HistogramData::BinEdges{shortestTOF - 1, longestTOF + 1};
// ensure that specified name is given to workspace (eventWS) when added to
// outputGroup
for (auto eventWS : allEventWS) {
const auto ws = eventWS.first;
ws->setAllX(axis);
AnalysisDataService::Instance().addOrReplace(eventWS.second, ws);
scatteringWSNames.emplace_back(eventWS.second);
}
return scatteringWSNames;
}
/**
* Return the confidence with with this algorithm can load the file
* @param eventEntries map of the file entries that have events
* @param outputGroup pointer to the workspace group
* @param nxFile Reads data from inside first first top entry
*/
void LoadMcStas::readEventData(
const std::map<std::string, std::string> &eventEntries,
WorkspaceGroup_sptr &outputGroup, ::NeXus::File &nxFile) {
std::string filename = getPropertyValue("Filename");
auto entries = nxFile.getEntries();
// will assume that each top level entry contain one mcstas
// generated IDF and any event data entries within this top level
// entry are data collected for that instrument
// This code for loading the instrument is for now adjusted code from
// ExperimentalInfo.
// Close data folder and go back to top level. Then read and close the
// Instrument folder.
nxFile.closeGroup();
Geometry::Instrument_sptr instrument;
// Initialize progress reporting
int reports = 2;
const double progressFractionInitial = 0.1;
Progress progInitial(this, 0.0, progressFractionInitial, reports);
try {
nxFile.openGroup("instrument", "NXinstrument");
std::string instrumentXML;
nxFile.openGroup("instrument_xml", "NXnote");
nxFile.readData("data", instrumentXML);
nxFile.closeGroup();
nxFile.closeGroup();
progInitial.report("Loading instrument");
Geometry::InstrumentDefinitionParser parser;
std::string instrumentName = "McStas";
parser.initialize(filename, instrumentName, instrumentXML);
std::string instrumentNameMangled = parser.getMangledName();
// Check whether the instrument is already in the InstrumentDataService
if (InstrumentDataService::Instance().doesExist(instrumentNameMangled)) {
// If it does, just use the one from the one stored there
instrument =
InstrumentDataService::Instance().retrieve(instrumentNameMangled);
} else {
// Really create the instrument
instrument = parser.parseXML(NULL);
// Add to data service for later retrieval
InstrumentDataService::Instance().add(instrumentNameMangled, instrument);
}
} catch (...) {
// Loader should not stop if there is no IDF.xml
g_log.warning()
<< "\nCould not find the instrument description in the Nexus file:"
<< filename << " Ignore evntdata from data file" << std::endl;
return;
}
// Finished reading Instrument. Then open new data folder again
nxFile.openGroup("data", "NXdetector");
// create and prepare an event workspace ready to receive the mcstas events
progInitial.report("Set up EventWorkspace");
EventWorkspace_sptr eventWS(new EventWorkspace());
// initialize, where create up front number of eventlists = number of
// detectors
eventWS->initialize(instrument->getNumberDetectors(), 1, 1);
// Set the units
eventWS->getAxis(0)->unit() = UnitFactory::Instance().create("TOF");
eventWS->setYUnit("Counts");
// set the instrument
eventWS->setInstrument(instrument);
// assign detector ID to eventlists
std::vector<detid_t> detIDs = instrument->getDetectorIDs();
for (size_t i = 0; i < instrument->getNumberDetectors(); i++) {
eventWS->getEventList(i).addDetectorID(detIDs[i]);
// spectrum number are treated as equal to detector IDs for McStas data
eventWS->getEventList(i).setSpectrumNo(detIDs[i]);
}
// the one is here for the moment for backward compatibility
eventWS->rebuildSpectraMapping(true);
bool isAnyNeutrons = false;
// to store shortest and longest recorded TOF
double shortestTOF(0.0);
double longestTOF(0.0);
const size_t numEventEntries = eventEntries.size();
Progress progEntries(this, progressFractionInitial, 1.0, numEventEntries * 2);
for (auto eit = eventEntries.begin(); eit != eventEntries.end(); ++eit) {
std::string dataName = eit->first;
std::string dataType = eit->second;
// open second level entry
nxFile.openGroup(dataName, dataType);
std::vector<double> data;
nxFile.openData("events");
progEntries.report("read event data from nexus");
// Need to take into account that the nexus readData method reads a
// multi-column data entry
// into a vector
// The number of data column for each neutron is here hardcoded to (p, x,
// y, n, id, t)
// Thus we have
// column 0 : p neutron wight
// column 1 : x x coordinate
// column 2 : y y coordinate
// column 3 : n accumulated number of neutrons
// column 4 : id pixel id
// column 5 : t time
// get info about event data
::NeXus::Info id_info = nxFile.getInfo();
if (id_info.dims.size() != 2) {
g_log.error() << "Event data in McStas nexus file not loaded. Expected "
"event data block to be two dimensional" << std::endl;
return;
}
int64_t nNeutrons = id_info.dims[0];
int64_t numberOfDataColumn = id_info.dims[1];
if (nNeutrons && numberOfDataColumn != 6) {
g_log.error() << "Event data in McStas nexus file expecting 6 columns"
<< std::endl;
return;
}
if (isAnyNeutrons == false && nNeutrons > 0)
isAnyNeutrons = true;
std::vector<int64_t> start(2);
std::vector<int64_t> step(2);
// read the event data in blocks. 1 million event is 1000000*6*8 doubles
// about 50Mb
int64_t nNeutronsInBlock = 1000000;
int64_t nOfFullBlocks = nNeutrons / nNeutronsInBlock;
int64_t nRemainingNeutrons = nNeutrons - nOfFullBlocks * nNeutronsInBlock;
// sum over number of blocks + 1 to cover the remainder
for (int64_t iBlock = 0; iBlock < nOfFullBlocks + 1; iBlock++) {
if (iBlock == nOfFullBlocks) {
// read remaining neutrons
start[0] = nOfFullBlocks * nNeutronsInBlock;
start[1] = 0;
step[0] = nRemainingNeutrons;
step[1] = numberOfDataColumn;
} else {
// read neutrons in a full block
start[0] = iBlock * nNeutronsInBlock;
start[1] = 0;
step[0] = nNeutronsInBlock;
step[1] = numberOfDataColumn;
}
const int64_t nNeutronsForthisBlock =
step[0]; // number of neutrons read for this block
data.resize(nNeutronsForthisBlock * numberOfDataColumn);
// Check that the type is what it is supposed to be
if (id_info.type == ::NeXus::FLOAT64) {
nxFile.getSlab(&data[0], start, step);
} else {
g_log.warning()
<< "Entry event field is not FLOAT64! It will be skipped.\n";
continue;
}
// populate workspace with McStas events
const detid2index_map detIDtoWSindex_map =
eventWS->getDetectorIDToWorkspaceIndexMap(true);
progEntries.report("read event data into workspace");
for (int64_t in = 0; in < nNeutronsForthisBlock; in++) {
const int detectorID =
static_cast<int>(data[4 + numberOfDataColumn * in]);
const double detector_time = data[5 + numberOfDataColumn * in] *
1.0e6; // convert to microseconds
if (in == 0 && iBlock == 0) {
shortestTOF = detector_time;
longestTOF = detector_time;
} else {
if (detector_time < shortestTOF)
shortestTOF = detector_time;
if (detector_time > longestTOF)
longestTOF = detector_time;
}
const size_t workspaceIndex =
detIDtoWSindex_map.find(detectorID)->second;
int64_t pulse_time = 0;
// eventWS->getEventList(workspaceIndex) +=
// TofEvent(detector_time,pulse_time);
// eventWS->getEventList(workspaceIndex) += TofEvent(detector_time);
eventWS->getEventList(workspaceIndex) += WeightedEvent(
detector_time, pulse_time, data[numberOfDataColumn * in], 1.0);
}
} // end reading over number of blocks of an event dataset
// nxFile.getData(data);
nxFile.closeData();
nxFile.closeGroup();
} // end reading over number of event datasets
// Create a default TOF-vector for histogramming, for now just 2 bins
// 2 bins is the standard. However for McStas simulation data it may make
// sense to
// increase this number for better initial visual effect
Kernel::cow_ptr<MantidVec> axis;
MantidVec &xRef = axis.access();
xRef.resize(2, 0.0);
// if ( nNeutrons > 0)
if (isAnyNeutrons) {
xRef[0] = shortestTOF - 1; // Just to make sure the bins hold it all
xRef[1] = longestTOF + 1;
}
// Set the binning axis
eventWS->setAllX(axis);
// ensure that specified name is given to workspace (eventWS) when added to
// outputGroup
std::string nameOfGroupWS = getProperty("OutputWorkspace");
std::string nameUserSee = std::string("EventData_") + nameOfGroupWS;
std::string extraProperty =
"Outputworkspace_dummy_" +
boost::lexical_cast<std::string>(m_countNumWorkspaceAdded);
declareProperty(new WorkspaceProperty<Workspace>(extraProperty, nameUserSee,
Direction::Output));
setProperty(extraProperty, boost::static_pointer_cast<Workspace>(eventWS));
m_countNumWorkspaceAdded++; // need to increment to ensure extraProperty are
// unique
outputGroup->addWorkspace(eventWS);
}