/**
* Checks if the spectra at the given index of either input workspace is masked. If so then the output spectra has zeroed data
* and is also masked.
* @param lhs :: A pointer to the left-hand operand
* @param rhs :: A pointer to the right-hand operand
* @param index :: The workspace index to check
* @param out :: A pointer to the output workspace
* @returns True if further processing is not required on the spectra, false if the binary operation should be performed.
*/
bool BinaryOperation::propagateSpectraMask(const API::MatrixWorkspace_const_sptr lhs, const API::MatrixWorkspace_const_sptr rhs,
const int64_t index, API::MatrixWorkspace_sptr out)
{
bool continueOp(true);
IDetector_const_sptr det_lhs, det_rhs;
try
{
det_lhs = lhs->getDetector(index);
det_rhs = rhs->getDetector(index);
}
catch(std::runtime_error &)
{
}
catch(std::domain_error &)
{
// try statement will throw a domain_error when the axis is not a spectra axis.
return continueOp;
}
if( (det_lhs && det_lhs->isMasked()) || ( det_rhs && det_rhs->isMasked()) )
{
continueOp = false;
out->maskWorkspaceIndex(index);
}
return continueOp;
}
/**
* A map detector ID and Q ranges
* This method looks unnecessary as it could be calculated on the fly but
* the parallelization means that lazy instantation slows it down due to the
* necessary CRITICAL sections required to update the cache. The Q range
* values are required very frequently so the total time is more than
* offset by this precaching step
*/
void SofQW2::initThetaCache(API::MatrixWorkspace_const_sptr workspace)
{
const size_t nhist = workspace->getNumberHistograms();
m_thetaPts = std::vector<double>(nhist);
size_t ndets(0);
double minTheta(DBL_MAX), maxTheta(-DBL_MAX);
for(int64_t i = 0 ; i < (int64_t)nhist; ++i) //signed for OpenMP
{
m_progress->report("Calculating detector angles");
IDetector_const_sptr det;
try
{
det = workspace->getDetector(i);
// Check to see if there is an EFixed, if not skip it
try
{
m_EmodeProperties.getEFixed(det);
}
catch(std::runtime_error&)
{
det.reset();
}
}
catch(Kernel::Exception::NotFoundError&)
{
// Catch if no detector. Next line tests whether this happened - test placed
// outside here because Mac Intel compiler doesn't like 'continue' in a catch
// in an openmp block.
}
// If no detector found, skip onto the next spectrum
if( !det || det->isMonitor() )
{
m_thetaPts[i] = -1.0; // Indicates a detector to skip
}
else
{
++ndets;
const double theta = workspace->detectorTwoTheta(det);
m_thetaPts[i] = theta;
if( theta < minTheta )
{
minTheta = theta;
}
else if( theta > maxTheta )
{
maxTheta = theta;
}
}
}
m_thetaWidth = (maxTheta - minTheta)/static_cast<double>(ndets);
g_log.information() << "Calculated detector width in theta=" << (m_thetaWidth*180.0/M_PI) << " degrees.\n";
}
double ConvertEmptyToTof::getL2(API::MatrixWorkspace_const_sptr workspace,
int detId) {
// Get a pointer to the instrument contained in the workspace
Geometry::Instrument_const_sptr instrument = workspace->getInstrument();
// Get the distance between the source and the sample (assume in metres)
Geometry::IComponent_const_sptr sample = instrument->getSample();
// Get the sample-detector distance for this detector (in metres)
double l2 =
workspace->getDetector(detId)->getPos().distance(sample->getPos());
return l2;
}
/** Method updates the column, which describes if current detector/spectra is
masked
It is used if one tries to process multiple workspaces obtained from a
series of experiments where the masked detectors can change */
void PreprocessDetectorsToMD::updateMasksState(
const API::MatrixWorkspace_const_sptr &inputWS,
DataObjects::TableWorkspace_sptr &targWS) {
int *pMasksArray = targWS->getColDataArray<int>("detMask");
if (!pMasksArray)
throw std::invalid_argument(
"target workspace " + targWS->getName() +
" does not have defined masks column to update");
size_t nHist = targWS->rowCount();
const size_t nRows = inputWS->getNumberHistograms();
if (nHist != nRows)
throw std::invalid_argument(
" source workspace " + inputWS->getName() + " and target workspace " +
targWS->getName() +
" are inconsistent as have different numner of detectors");
uint32_t liveDetectorsCount(0);
for (size_t i = 0; i < nHist; i++) {
// get detector or detector group which corresponds to the spectra i
Geometry::IDetector_const_sptr spDet;
try {
spDet = inputWS->getDetector(i);
} catch (Kernel::Exception::NotFoundError &) {
continue;
}
// Check that we aren't dealing with monitor...
if (spDet->isMonitor())
continue;
// if masked detectors state is not used, masked detectors just ignored;
bool maskDetector = spDet->isMasked();
*(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;
liveDetectorsCount++;
}
}
/** Finds the first index number of the first wavelength bin that should
* included based on the
* the calculation: W = Wcut (Rcut-R)/Rcut
* @param dataWS data workspace
* @param RCut the radius cut off, should be value of the property RadiusCut
* (unit is mm)
* @param WCut this wavelength cut off, should be equal to the value WaveCut
* @param specInd spectrum that is being analysed
* @return index number of the first bin to include in the calculation
*/
size_t Qhelper::waveLengthCutOff(API::MatrixWorkspace_const_sptr dataWS,
const double RCut, const double WCut,
const size_t specInd) const {
double l_WCutOver = 0.0;
double l_RCut = 0.0; // locally we store RCut in units of meters
if (RCut > 0 && WCut > 0) {
l_RCut = RCut / 1000.0; // convert to meters
// l_RCut = RCut; // convert to meters
l_WCutOver = WCut / l_RCut;
}
if (!(l_RCut > 0)) {
return 0;
}
// get the distance of between this detector and the origin, which should be
// the along the beam center
const V3D posOnBank = dataWS->getDetector(specInd)->getPos();
double R = (posOnBank.X() * posOnBank.X()) + (posOnBank.Y() * posOnBank.Y());
R = std::sqrt(R);
const double WMin = l_WCutOver * (l_RCut - R);
const MantidVec &Xs = dataWS->readX(specInd);
return std::lower_bound(Xs.begin(), Xs.end(), WMin) - Xs.begin();
}
/**
* Move the user selected spectra in the input workspace into groups in the output workspace
* @param inputWS :: user selected input workspace for the algorithm
* @param outputWS :: user selected output workspace for the algorithm
* @param prog4Copy :: the amount of algorithm progress to attribute to moving a single spectra
* @return number of new grouped spectra
*/
size_t GroupDetectors2::formGroups( API::MatrixWorkspace_const_sptr inputWS, API::MatrixWorkspace_sptr outputWS,
const double prog4Copy)
{
// get "Behaviour" string
const std::string behaviour = getProperty("Behaviour");
int bhv = 0;
if ( behaviour == "Average" ) bhv = 1;
API::MatrixWorkspace_sptr beh = API::WorkspaceFactory::Instance().create(
"Workspace2D", static_cast<int>(m_GroupSpecInds.size()), 1, 1);
g_log.debug() << name() << ": Preparing to group spectra into " << m_GroupSpecInds.size() << " groups\n";
// where we are copying spectra to, we start copying to the start of the output workspace
size_t outIndex = 0;
// Only used for averaging behaviour. We may have a 1:1 map where a Divide would be waste as it would be just dividing by 1
bool requireDivide(false);
for ( storage_map::const_iterator it = m_GroupSpecInds.begin(); it != m_GroupSpecInds.end() ; ++it )
{
// This is the grouped spectrum
ISpectrum * outSpec = outputWS->getSpectrum(outIndex);
// The spectrum number of the group is the key
outSpec->setSpectrumNo(it->first);
// Start fresh with no detector IDs
outSpec->clearDetectorIDs();
// Copy over X data from first spectrum, the bin boundaries for all spectra are assumed to be the same here
outSpec->dataX() = inputWS->readX(0);
// the Y values and errors from spectra being grouped are combined in the output spectrum
// Keep track of number of detectors required for masking
size_t nonMaskedSpectra(0);
beh->dataX(outIndex)[0] = 0.0;
beh->dataE(outIndex)[0] = 0.0;
for( std::vector<size_t>::const_iterator wsIter = it->second.begin(); wsIter != it->second.end(); ++wsIter)
{
const size_t originalWI = *wsIter;
// detectors to add to firstSpecNum
const ISpectrum * fromSpectrum = inputWS->getSpectrum(originalWI);
// Add up all the Y spectra and store the result in the first one
// Need to keep the next 3 lines inside loop for now until ManagedWorkspace mru-list works properly
MantidVec &firstY = outSpec->dataY();
MantidVec::iterator fYit;
MantidVec::iterator fEit = outSpec->dataE().begin();
MantidVec::const_iterator Yit = fromSpectrum->dataY().begin();
MantidVec::const_iterator Eit = fromSpectrum->dataE().begin();
for (fYit = firstY.begin(); fYit != firstY.end(); ++fYit, ++fEit, ++Yit, ++Eit)
{
*fYit += *Yit;
// Assume 'normal' (i.e. Gaussian) combination of errors
*fEit = std::sqrt( (*fEit)*(*fEit) + (*Eit)*(*Eit) );
}
// detectors to add to the output spectrum
outSpec->addDetectorIDs(fromSpectrum->getDetectorIDs() );
try
{
Geometry::IDetector_const_sptr det = inputWS->getDetector(originalWI);
if( !det->isMasked() ) ++nonMaskedSpectra;
}
catch(Exception::NotFoundError&)
{
// If a detector cannot be found, it cannot be masked
++nonMaskedSpectra;
}
}
if( nonMaskedSpectra == 0 ) ++nonMaskedSpectra; // Avoid possible divide by zero
if(!requireDivide) requireDivide = (nonMaskedSpectra > 1);
beh->dataY(outIndex)[0] = static_cast<double>(nonMaskedSpectra);
// make regular progress reports and check for cancelling the algorithm
if ( outIndex % INTERVAL == 0 )
{
m_FracCompl += INTERVAL*prog4Copy;
if ( m_FracCompl > 1.0 )
m_FracCompl = 1.0;
progress(m_FracCompl);
interruption_point();
}
outIndex ++;
}
// Refresh the spectraDetectorMap
outputWS->generateSpectraMap();
if ( bhv == 1 && requireDivide )
{
g_log.debug() << "Running Divide algorithm to perform averaging.\n";
Mantid::API::IAlgorithm_sptr divide = createChildAlgorithm("Divide");
divide->initialize();
divide->setProperty<API::MatrixWorkspace_sptr>("LHSWorkspace", outputWS);
divide->setProperty<API::MatrixWorkspace_sptr>("RHSWorkspace", beh);
divide->setProperty<API::MatrixWorkspace_sptr>("OutputWorkspace", outputWS);
divide->execute();
}
g_log.debug() << name() << " created " << outIndex << " new grouped spectra\n";
return outIndex;
}
/** Checks if workspaces input to Q1D or Qxy are reasonable
@param dataWS data workspace
@param binAdj (WavelengthAdj) workpace that will be checked to see if it has
one spectrum and the same number of bins as dataWS
@param detectAdj (PixelAdj) passing NULL for this wont raise an error, if set
it will be checked this workspace has as many histograms as dataWS each with
one bin
@throw invalid_argument if the workspaces are not mututially compatible
*/
void Qhelper::examineInput(API::MatrixWorkspace_const_sptr dataWS,
API::MatrixWorkspace_const_sptr binAdj,
API::MatrixWorkspace_const_sptr detectAdj) {
if (dataWS->getNumberHistograms() < 1) {
throw std::invalid_argument(
"Empty data workspace passed, can not continue");
}
// it is not an error for these workspaces not to exist
if (binAdj) {
if (binAdj->getNumberHistograms() != 1) {
throw std::invalid_argument(
"The WavelengthAdj workspace must have one spectrum");
}
if (binAdj->readY(0).size() != dataWS->readY(0).size()) {
throw std::invalid_argument("The WavelengthAdj workspace's bins must "
"match those of the detector bank workspace");
}
MantidVec::const_iterator reqX = dataWS->readX(0).begin();
MantidVec::const_iterator testX = binAdj->readX(0).begin();
for (; reqX != dataWS->readX(0).end(); ++reqX, ++testX) {
if (*reqX != *testX) {
throw std::invalid_argument("The WavelengthAdj workspace must have "
"matching bins with the detector bank "
"workspace");
}
}
if (binAdj->isDistribution() != dataWS->isDistribution()) {
throw std::invalid_argument("The distrbution/raw counts status of the "
"wavelengthAdj and DetBankWorkspace must be "
"the same, use ConvertToDistribution");
}
} else if (!dataWS->isDistribution()) {
// throw std::invalid_argument("The data workspace must be a distrbution if
// there is no Wavelength dependent adjustment");
}
// Perform tests on detectAdj
if (detectAdj) {
if (detectAdj->blocksize() != 1) {
throw std::invalid_argument("The PixelAdj workspace must point to a "
"workspace with single bin spectra, as only "
"the first bin is used");
}
if (detectAdj->getNumberHistograms() != dataWS->getNumberHistograms()) {
throw std::invalid_argument("The PixelAdj workspace must have one "
"spectrum for each spectrum in the detector "
"bank workspace");
}
// test that when detector adjustment value less than or equal to zero that
// the corresponding detector
// in the workspace is masked
size_t num_histograms = dataWS->getNumberHistograms();
for (size_t i = 0; i < num_histograms; i++) {
double adj = (double)detectAdj->readY(i)[0];
if (adj <= 0.0) {
bool det_is_masked;
try {
det_is_masked = dataWS->getDetector(i)->isMasked();
} catch (...) {
// just ignore. There are times, when the detector is not masked
// because it does not exist at all.
det_is_masked = true;
}
if (!det_is_masked) {
throw std::invalid_argument(
"Every detector with non-positive PixelAdj value must be masked");
}
}
}
}
}
/**
* A map detector ID and Q ranges
* This method looks unnecessary as it could be calculated on the fly but
* the parallelization means that lazy instantation slows it down due to the
* necessary CRITICAL sections required to update the cache. The Q range
* values are required very frequently so the total time is more than
* offset by this precaching step
*/
void SofQW2::initQCache(API::MatrixWorkspace_const_sptr workspace)
{
Mantid::Kernel::Timer clock;
const size_t nhist(workspace->getNumberHistograms());
const size_t nxpoints = workspace->blocksize();
const MantidVec & X = workspace->readX(0);
m_qcached.clear();
PARALLEL_FOR1(workspace)
for(int64_t i = 0 ; i < (int64_t)nhist; ++i)
{
PARALLEL_START_INTERUPT_REGION
IDetector_const_sptr det;
try
{
det = workspace->getDetector(i);
if( det->isMonitor() ) det.reset();
}
catch(Kernel::Exception::NotFoundError&)
{
// Catch if no detector. Next line tests whether this happened - test placed
// outside here because Mac Intel compiler doesn't like 'continue' in a catch
// in an openmp block.
}
// If no detector found, skip onto the next spectrum
if ( !det ) continue;
std::vector<QValues> qvalues(nxpoints);
DetectorGroup_const_sptr detGroup = boost::dynamic_pointer_cast<const DetectorGroup>(det);
if( detGroup )
{
std::vector<IDetector_const_sptr> dets = detGroup->getDetectors();
const size_t ndets(dets.size());
for( size_t j = 0; j < ndets; ++j )
{
IDetector_const_sptr det_j = dets[j];
QRangeCache qrange(static_cast<size_t>(i), 1.0/(double)ndets);
for( size_t k = 0; k < nxpoints; ++k)
{
qvalues[k] = calculateQValues(det_j, X[k], X[k+1]);
}
qrange.qValues = qvalues;
PARALLEL_CRITICAL(qcache_a)
{
m_qcached.insert(m_qcached.end(), qrange);
}
}
}
else
{
QRangeCache qrange(static_cast<size_t>(i), 1.0);
for( size_t k = 0; k < nxpoints; ++k)
{
qvalues[k] = calculateQValues(det, X[k], X[k+1]);
}
qrange.qValues = qvalues;
PARALLEL_CRITICAL(qcache_b)
{
m_qcached.insert(m_qcached.end(), qrange);
}
}
PARALLEL_END_INTERUPT_REGION
}
/**
* Function that retrieves the two-theta and azimuthal angles from a given
* detector. It then looks up the nearest neighbours. Using those detectors,
* it calculates the two-theta and azimuthal angle widths.
* @param workspace : the workspace containing the needed detector information
*/
void SofQW3::getValuesAndWidths(API::MatrixWorkspace_const_sptr workspace)
{
// Trigger a build of the nearst neighbors outside the OpenMP loop
const int numNeighbours = 4;
const size_t nHistos = workspace->getNumberHistograms();
g_log.debug() << "Number of Histograms: " << nHistos << std::endl;
this->m_theta = std::vector<double>(nHistos);
this->m_thetaWidths = std::vector<double>(nHistos);
this->m_phi = std::vector<double>(nHistos);
this->m_phiWidths = std::vector<double>(nHistos);
for (size_t i = 0; i < nHistos; ++i)
{
m_progress->report("Calculating detector angular widths");
DetConstPtr detector = workspace->getDetector(i);
g_log.debug() << "Current histogram: " << i << std::endl;
specid_t inSpec = workspace->getSpectrum(i)->getSpectrumNo();
SpectraDistanceMap neighbours = workspace->getNeighboursExact(inSpec,
numNeighbours,
true);
g_log.debug() << "Current ID: " << inSpec << std::endl;
// Convert from spectrum numbers to workspace indices
double thetaWidth = -DBL_MAX;
double phiWidth = -DBL_MAX;
// Find theta and phi widths
double theta = workspace->detectorTwoTheta(detector);
double phi = detector->getPhi();
specid_t deltaPlus1 = inSpec + 1;
specid_t deltaMinus1 = inSpec - 1;
specid_t deltaPlusT = inSpec + this->m_detNeighbourOffset;
specid_t deltaMinusT = inSpec - this->m_detNeighbourOffset;
for (SpectraDistanceMap::iterator it = neighbours.begin();
it != neighbours.end(); ++it)
{
specid_t spec = it->first;
g_log.debug() << "Neighbor ID: " << spec << std::endl;
if (spec == deltaPlus1 || spec == deltaMinus1 ||
spec == deltaPlusT || spec == deltaMinusT)
{
DetConstPtr detector_n = workspace->getDetector(spec - 1);
double theta_n = workspace->detectorTwoTheta(detector_n);
double phi_n = detector_n->getPhi();
double dTheta = std::fabs(theta - theta_n);
double dPhi = std::fabs(phi - phi_n);
if (dTheta > thetaWidth)
{
thetaWidth = dTheta;
//g_log.debug() << "Current ThetaWidth: " << thetaWidth << std::endl;
}
if (dPhi > phiWidth)
{
phiWidth = dPhi;
//g_log.debug() << "Current PhiWidth: " << phiWidth << std::endl;
}
}
}
this->m_theta[i] = theta;
this->m_phi[i] = phi;
this->m_thetaWidths[i] = thetaWidth;
this->m_phiWidths[i] = phiWidth;
}
}
/** method does preliminary calculations of the detectors positions to convert
results into k-dE space ;
and places the results into static cash to be used in subsequent calls to this
algorithm */
void PreprocessDetectorsToMD::processDetectorsPositions(
const API::MatrixWorkspace_const_sptr &inputWS,
DataObjects::TableWorkspace_sptr &targWS) {
g_log.information()
<< "Preprocessing detector locations in a target reciprocal space\n";
//
Geometry::Instrument_const_sptr instrument = inputWS->getInstrument();
// this->pBaseInstr = instrument->baseInstrument();
//
Geometry::IComponent_const_sptr source = instrument->getSource();
Geometry::IComponent_const_sptr sample = instrument->getSample();
if ((!source) || (!sample)) {
g_log.error() << " Instrument is not fully defined. Can not identify "
"source or sample\n";
throw Kernel::Exception::InstrumentDefinitionError(
"Instrument not sufficiently defined: failed to get source and/or "
"sample");
}
// L1
try {
double L1 = source->getDistance(*sample);
targWS->logs()->addProperty<double>("L1", L1, true);
g_log.debug() << "Source-sample distance: " << L1 << std::endl;
} catch (Kernel::Exception::NotFoundError &) {
throw Kernel::Exception::InstrumentDefinitionError(
"Unable to calculate source-sample distance for workspace",
inputWS->getTitle());
}
// Instrument name
std::string InstrName = instrument->getName();
targWS->logs()->addProperty<std::string>(
"InstrumentName", InstrName,
true); // "The name which should unique identify current instrument");
targWS->logs()->addProperty<bool>("FakeDetectors", false, true);
// get access to the workspace memory
auto &sp2detMap = targWS->getColVector<size_t>("spec2detMap");
auto &detId = targWS->getColVector<int32_t>("DetectorID");
auto &detIDMap = targWS->getColVector<size_t>("detIDMap");
auto &L2 = targWS->getColVector<double>("L2");
auto &TwoTheta = targWS->getColVector<double>("TwoTheta");
auto &Azimuthal = targWS->getColVector<double>("Azimuthal");
auto &detDir = targWS->getColVector<Kernel::V3D>("DetDirections");
// Efixed; do we need one and does one exist?
double Efi = targWS->getLogs()->getPropertyValueAsType<double>("Ei");
float *pEfixedArray(nullptr);
const Geometry::ParameterMap &pmap = inputWS->constInstrumentParameters();
if (m_getEFixed)
pEfixedArray = targWS->getColDataArray<float>("eFixed");
// check if one needs to generate masked detectors column.
int *pMasksArray(nullptr);
if (m_getIsMasked)
pMasksArray = targWS->getColDataArray<int>("detMask");
//// progress message appearance
size_t div = 100;
size_t nHist = targWS->rowCount();
Mantid::API::Progress theProgress(this, 0, 1, nHist);
//// Loop over the spectra
uint32_t liveDetectorsCount(0);
for (size_t i = 0; i < nHist; i++) {
sp2detMap[i] = std::numeric_limits<uint64_t>::quiet_NaN();
detId[i] = std::numeric_limits<int32_t>::quiet_NaN();
detIDMap[i] = std::numeric_limits<uint64_t>::quiet_NaN();
L2[i] = std::numeric_limits<double>::quiet_NaN();
TwoTheta[i] = std::numeric_limits<double>::quiet_NaN();
Azimuthal[i] = std::numeric_limits<double>::quiet_NaN();
// detMask[i] = true;
// get detector or detector group which corresponds to the spectra i
Geometry::IDetector_const_sptr spDet;
try {
spDet = inputWS->getDetector(i);
} catch (Kernel::Exception::NotFoundError &) {
continue;
}
// Check that we aren't dealing with monitor...
if (spDet->isMonitor())
continue;
// if masked detectors state is not used, masked detectors just ignored;
bool maskDetector = spDet->isMasked();
if (m_getIsMasked)
*(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;
else if (maskDetector)
continue;
// calculate the requested values;
sp2detMap[i] = liveDetectorsCount;
detId[liveDetectorsCount] = int32_t(spDet->getID());
detIDMap[liveDetectorsCount] = i;
L2[liveDetectorsCount] = spDet->getDistance(*sample);
double polar = inputWS->detectorTwoTheta(spDet);
double azim = spDet->getPhi();
TwoTheta[liveDetectorsCount] = polar;
Azimuthal[liveDetectorsCount] = azim;
double sPhi = sin(polar);
double ez = cos(polar);
double ex = sPhi * cos(azim);
double ey = sPhi * sin(azim);
detDir[liveDetectorsCount].setX(ex);
detDir[liveDetectorsCount].setY(ey);
detDir[liveDetectorsCount].setZ(ez);
// double sinTheta=sin(0.5*polar);
// this->SinThetaSq[liveDetectorsCount] = sinTheta*sinTheta;
// specific code which should work and makes sense
// for indirect instrument but may be deployed on any code with Ei property
// defined;
if (pEfixedArray) {
try {
Geometry::Parameter_sptr par = pmap.getRecursive(spDet.get(), "eFixed");
if (par)
Efi = par->value<double>();
} catch (std::runtime_error &) {
}
// set efixed for each existing detector
*(pEfixedArray + liveDetectorsCount) = static_cast<float>(Efi);
}
liveDetectorsCount++;
if (i % div == 0)
theProgress.report(i, "Preprocessing detectors");
}
targWS->logs()->addProperty<uint32_t>("ActualDetectorsNum",
liveDetectorsCount, true);
theProgress.report();
g_log.information() << "Finished preprocessing detector locations. Found: "
<< liveDetectorsCount << " detectors out of: " << nHist
<< " histograms\n";
}
/** Convert the workspace units using TOF as an intermediate step in the
* conversion
* @param fromUnit :: The unit of the input workspace
* @param inputWS :: The input workspace
* @returns A shared pointer to the output workspace
*/
MatrixWorkspace_sptr ConvertUnitsUsingDetectorTable::convertViaTOF(
Kernel::Unit_const_sptr fromUnit, API::MatrixWorkspace_const_sptr inputWS) {
using namespace Geometry;
// Let's see if we are using a TableWorkspace to override parameters
TableWorkspace_sptr paramWS = getProperty("DetectorParameters");
// See if we have supplied a DetectorParameters Workspace
// TODO: Check if paramWS is NULL and if so throw an exception
// const std::string l1ColumnLabel("l1");
// Let's check all the columns exist and are readable
try {
auto spectraColumnTmp = paramWS->getColumn("spectra");
auto l1ColumnTmp = paramWS->getColumn("l1");
auto l2ColumnTmp = paramWS->getColumn("l2");
auto twoThetaColumnTmp = paramWS->getColumn("twotheta");
auto efixedColumnTmp = paramWS->getColumn("efixed");
auto emodeColumnTmp = paramWS->getColumn("emode");
} catch (...) {
throw Exception::InstrumentDefinitionError(
"DetectorParameter TableWorkspace is not defined correctly.");
}
// Now let's take a reference to the vectors.
const auto &l1Column = paramWS->getColVector<double>("l1");
const auto &l2Column = paramWS->getColVector<double>("l2");
const auto &twoThetaColumn = paramWS->getColVector<double>("twotheta");
const auto &efixedColumn = paramWS->getColVector<double>("efixed");
const auto &emodeColumn = paramWS->getColVector<int>("emode");
const auto &spectraColumn = paramWS->getColVector<int>("spectra");
Progress prog(this, 0.2, 1.0, m_numberOfSpectra);
int64_t numberOfSpectra_i =
static_cast<int64_t>(m_numberOfSpectra); // cast to make openmp happy
// Get the unit object for each workspace
Kernel::Unit_const_sptr outputUnit = m_outputUnit;
std::vector<double> emptyVec;
int failedDetectorCount = 0;
// Perform Sanity Validation before creating workspace
size_t checkIndex = 0;
int checkSpecNo = inputWS->getDetector(checkIndex)->getID();
auto checkSpecIter =
std::find(spectraColumn.begin(), spectraColumn.end(), checkSpecNo);
if (checkSpecIter != spectraColumn.end()) {
size_t detectorRow = std::distance(spectraColumn.begin(), checkSpecIter);
// copy the X values for the check
auto checkXValues = inputWS->readX(checkIndex);
// Convert the input unit to time-of-flight
auto checkFromUnit = std::unique_ptr<Unit>(fromUnit->clone());
auto checkOutputUnit = std::unique_ptr<Unit>(outputUnit->clone());
double checkdelta = 0;
checkFromUnit->toTOF(checkXValues, emptyVec, l1Column[detectorRow],
l2Column[detectorRow], twoThetaColumn[detectorRow],
emodeColumn[detectorRow], efixedColumn[detectorRow],
checkdelta);
// Convert from time-of-flight to the desired unit
checkOutputUnit->fromTOF(checkXValues, emptyVec, l1Column[detectorRow],
l2Column[detectorRow], twoThetaColumn[detectorRow],
emodeColumn[detectorRow],
efixedColumn[detectorRow], checkdelta);
}
// create the output workspace
MatrixWorkspace_sptr outputWS = this->setupOutputWorkspace(inputWS);
EventWorkspace_sptr eventWS =
boost::dynamic_pointer_cast<EventWorkspace>(outputWS);
assert(static_cast<bool>(eventWS) == m_inputEvents); // Sanity check
// TODO: Check why this parallel stuff breaks
// Loop over the histograms (detector spectra)
// PARALLEL_FOR_IF(Kernel::threadSafe(*outputWS))
for (int64_t i = 0; i < numberOfSpectra_i; ++i) {
// Lets find what row this spectrum Number appears in our detector table.
// PARALLEL_START_INTERUPT_REGION
std::size_t wsid = i;
try {
double deg2rad = M_PI / 180.;
auto det = outputWS->getDetector(i);
int specNo = det->getID();
// int spectraNumber = static_cast<int>(spectraColumn->toDouble(i));
// wsid = outputWS->getIndexFromSpectrumNumber(spectraNumber);
g_log.debug() << "###### Spectra #" << specNo
<< " ==> Workspace ID:" << wsid << '\n';
// Now we need to find the row that contains this spectrum
std::vector<int>::const_iterator specIter;
specIter = std::find(spectraColumn.begin(), spectraColumn.end(), specNo);
if (specIter != spectraColumn.end()) {
const size_t detectorRow =
std::distance(spectraColumn.begin(), specIter);
const double l1 = l1Column[detectorRow];
const double l2 = l2Column[detectorRow];
const double twoTheta = twoThetaColumn[detectorRow] * deg2rad;
const double efixed = efixedColumn[detectorRow];
const int emode = emodeColumn[detectorRow];
if (g_log.is(Logger::Priority::PRIO_DEBUG)) {
g_log.debug() << "specNo from detector table = "
<< spectraColumn[detectorRow] << '\n';
g_log.debug() << "###### Spectra #" << specNo
<< " ==> Det Table Row:" << detectorRow << '\n';
g_log.debug() << "\tL1=" << l1 << ",L2=" << l2 << ",TT=" << twoTheta
<< ",EF=" << efixed << ",EM=" << emode << '\n';
}
// Make local copies of the units. This allows running the loop in
// parallel
auto localFromUnit = std::unique_ptr<Unit>(fromUnit->clone());
auto localOutputUnit = std::unique_ptr<Unit>(outputUnit->clone());
/// @todo Don't yet consider hold-off (delta)
const double delta = 0.0;
std::vector<double> values(outputWS->x(wsid).begin(),
outputWS->x(wsid).end());
// Convert the input unit to time-of-flight
localFromUnit->toTOF(values, emptyVec, l1, l2, twoTheta, emode, efixed,
delta);
// Convert from time-of-flight to the desired unit
localOutputUnit->fromTOF(values, emptyVec, l1, l2, twoTheta, emode,
efixed, delta);
outputWS->mutableX(wsid) = std::move(values);
// EventWorkspace part, modifying the EventLists.
if (m_inputEvents) {
eventWS->getSpectrum(wsid)
.convertUnitsViaTof(localFromUnit.get(), localOutputUnit.get());
}
} else {
// Not found
failedDetectorCount++;
outputWS->maskWorkspaceIndex(wsid);
}
} catch (Exception::NotFoundError &) {
// Get to here if exception thrown when calculating distance to detector
failedDetectorCount++;
// Since you usually (always?) get to here when there's no attached
// detectors, this call is
// the same as just zeroing out the data (calling clearData on the
// spectrum)
outputWS->maskWorkspaceIndex(i);
}
prog.report("Convert to " + m_outputUnit->unitID());
// PARALLEL_END_INTERUPT_REGION
} // loop over spectra
// PARALLEL_CHECK_INTERUPT_REGION
if (failedDetectorCount != 0) {
g_log.information() << "Something went wrong for " << failedDetectorCount
<< " spectra. Masking spectrum.\n";
}
if (m_inputEvents)
eventWS->clearMRU();
return outputWS;
}
