/**
* Set the absolute detector position of a detector
* @param instrument :: The instrument that contains the defined detector
* @param detID :: Detector ID
* @param pos :: new position of Dectector
* @param sameParent :: true if detector has same parent as previous detector set here.
*/
void ApplyCalibration::setDetectorPosition(const Geometry::Instrument_const_sptr & instrument, int detID, V3D pos, bool /*sameParent*/ )
{
Geometry::IDetector_const_sptr det = instrument->getDetector(detID);
// Then find the corresponding relative position
boost::shared_ptr<const Geometry::IComponent> parent = det->getParent();
if (parent)
{
pos -= parent->getPos();
Quat rot = parent->getRelativeRot();
rot.inverse();
rot.rotate(pos);
}
boost::shared_ptr<const Geometry::IComponent>grandparent = parent->getParent();
if (grandparent)
{
Quat rot = grandparent->getRelativeRot();
rot.inverse();
rot.rotate(pos);
boost::shared_ptr<const Geometry::IComponent>greatgrandparent = grandparent->getParent();
if (greatgrandparent) {
Quat rot2 = greatgrandparent->getRelativeRot();
rot2.inverse();
rot2.rotate(pos);
}
}
// Add a parameter for the new position
m_pmap->addV3D(det.get(), "pos", pos);
}
void CalculateDIFC::calculate(API::Progress &progress,
API::MatrixWorkspace_sptr &outputWs,
DataObjects::OffsetsWorkspace_sptr &offsetsWS,
double l1, double beamlineNorm,
Kernel::V3D &beamline, Kernel::V3D &samplePos,
detid2det_map &allDetectors) {
SpecialWorkspace2D_sptr localWS =
boost::dynamic_pointer_cast<SpecialWorkspace2D>(outputWs);
// Now go through all
detid2det_map::const_iterator it = allDetectors.begin();
for (; it != allDetectors.end(); ++it) {
Geometry::IDetector_const_sptr det = it->second;
if ((!det->isMasked()) && (!det->isMonitor())) {
const detid_t detID = it->first;
double offset = 0.;
if (offsetsWS)
offset = offsetsWS->getValue(detID, 0.);
double difc = Geometry::Instrument::calcConversion(
l1, beamline, beamlineNorm, samplePos, det, offset);
difc = 1. / difc; // calcConversion gives 1/DIFC
localWS->setValue(detID, difc);
}
progress.report("Calculate DIFC");
}
}
/** Method calculates averaged polar coordinates of the detector's group
(which may consist of one detector)
*@param spDet -- shared pointer to the Mantid Detector
*@param Observer -- sample position or the centre of the polar system of
coordinates to calculate detector's parameters.
*@param Detector -- return Detector class containing averaged polar coordinates
of the detector or detector's group in
spherical coordinate system with centre at Observer
*/
void FindDetectorsPar::calcDetPar(const Geometry::IDetector_const_sptr &spDet,
const Kernel::V3D &Observer,
DetParameters &Detector) {
// get number of basic detectors within the composit detector
size_t nDetectors = spDet->nDets();
// define summator
AvrgDetector detSum;
// do we want spherical or linear box sizes?
detSum.setUseSpherical(!m_SizesAreLinear);
if (nDetectors == 1) {
detSum.addDetInfo(spDet, Observer);
} else {
// access contributing detectors;
Geometry::DetectorGroup_const_sptr spDetGroup =
boost::dynamic_pointer_cast<const Geometry::DetectorGroup>(spDet);
if (!spDetGroup) {
g_log.error() << "calc_cylDetPar: can not downcast IDetector_sptr to "
"detector group for det->ID: " << spDet->getID()
<< std::endl;
throw(std::bad_cast());
}
auto detectors = spDetGroup->getDetectors();
auto it = detectors.begin();
auto it_end = detectors.end();
for (; it != it_end; it++) {
detSum.addDetInfo(*it, Observer);
}
}
// calculate averages and return the detector parameters
detSum.returnAvrgDetPar(Detector);
}
/** Retrieves the detector postion for a given spectrum
* @param index :: The workspace index of the spectrum
* @param l1 :: Returns the source-sample distance
* @param l2 :: Returns the sample-detector distance
* @param twoTheta :: Returns the detector's scattering angle
*/
void RemoveBins::calculateDetectorPosition(const int& index, double& l1, double& l2, double& twoTheta)
{
// Get a pointer to the instrument contained in the workspace
Geometry::Instrument_const_sptr instrument = m_inputWorkspace->getInstrument();
// Get the distance between the source and the sample (assume in metres)
Geometry::IObjComponent_const_sptr sample = instrument->getSample();
// Check for valid instrument
if (sample == NULL)
{
throw Exception::InstrumentDefinitionError("Instrument not sufficiently defined: failed to get sample");
}
l1 = instrument->getSource()->getDistance(*sample);
Geometry::IDetector_const_sptr det = m_inputWorkspace->getDetector(index);
// Get the sample-detector distance for this detector (in metres)
if ( ! det->isMonitor() )
{
l2 = det->getDistance(*sample);
// The scattering angle for this detector (in radians).
twoTheta = m_inputWorkspace->detectorTwoTheta(det);
}
else // If this is a monitor then make l1+l2 = source-detector distance and twoTheta=0
{
l2 = det->getDistance(*(instrument->getSource()));
l2 = l2 - l1;
twoTheta = 0.0;
}
g_log.debug() << "Detector for index " << index << " has L1+L2=" << l1+l2 << " & 2theta= " << twoTheta << std::endl;
return;
}
void CalculateDIFC::calculate() {
Instrument_const_sptr instrument = m_inputWS->getInstrument();
SpecialWorkspace2D_sptr localWS =
boost::dynamic_pointer_cast<SpecialWorkspace2D>(m_outputWS);
double l1;
Kernel::V3D beamline, samplePos;
double beamline_norm;
instrument->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
// To get all the detector ID's
detid2det_map allDetectors;
instrument->getDetectors(allDetectors);
// Now go through all
detid2det_map::const_iterator it = allDetectors.begin();
for (; it != allDetectors.end(); ++it) {
Geometry::IDetector_const_sptr det = it->second;
if ((!det->isMasked()) && (!det->isMonitor())) {
const detid_t detID = it->first;
double offset = 0.;
if (m_offsetsWS)
offset = m_offsetsWS->getValue(detID, 0.);
double difc = Geometry::Instrument::calcConversion(
l1, beamline, beamline_norm, samplePos, det, offset);
difc = 1. / difc; // calcConversion gives 1/DIFC
localWS->setValue(detID, difc);
}
}
}
void FindDetectorsPar::populate_values_from_file(
const API::MatrixWorkspace_sptr &inputWS) {
size_t nHist = inputWS->getNumberHistograms();
if (this->current_ASCII_file.Type == PAR_type) {
// in this case data in azimuthal width and polar width are in fact real
// sizes in meters; have to transform it in into angular values
for (size_t i = 0; i < nHist; i++) {
azimuthalWidth[i] =
atan2(azimuthalWidth[i], secondaryFlightpath[i]) * rad2deg;
polarWidth[i] = atan2(polarWidth[i], secondaryFlightpath[i]) * rad2deg;
}
m_SizesAreLinear = false;
} else {
Geometry::IComponent_const_sptr sample =
inputWS->getInstrument()->getSample();
secondaryFlightpath.resize(nHist);
// Loop over the spectra
for (size_t i = 0; i < nHist; i++) {
Geometry::IDetector_const_sptr spDet;
try {
spDet = inputWS->getDetector(i);
} catch (Kernel::Exception::NotFoundError &) {
continue;
}
// Check that we aren't writing a monitor...
if (spDet->isMonitor())
continue;
/// this is the only value, which is not defined in phx file, so we
/// calculate it
secondaryFlightpath[i] = spDet->getDistance(*sample);
}
}
}
/** Makes sure that the input properties are set correctly
* @param inputWorkspace The input workspace
* @throw std::runtime_error If the properties are invalid
*/
void NormaliseToMonitor::checkProperties(API::MatrixWorkspace_sptr inputWorkspace)
{
// Check where the monitor spectrum should come from
Property* monSpec = getProperty("MonitorSpectrum");
Property* monWS = getProperty("MonitorWorkspace");
Property* monID = getProperty("MonitorID");
// Is the monitor spectrum within the main input workspace
const bool inWS = !monSpec->isDefault();
// Or is it in a separate workspace
bool sepWS = !monWS->isDefault();
// or monitor ID
bool monIDs = !monID->isDefault();
// something has to be set
if ( !inWS && !sepWS && !monIDs)
{
const std::string mess("Neither the MonitorSpectrum, nor the MonitorID or the MonitorWorkspace property has been set");
g_log.error()<<mess<<std::endl;
throw std::runtime_error(mess);
}
// One and only one of these properties should have been set
// input from separate workspace is owerwritten by monitor spectrum
if ( inWS && sepWS ){
g_log.information("Both input workspace MonitorSpectrum number and monitor workspace are specified. Ignoring Monitor Workspace");
sepWS = false;
}
// input from detector ID is rejected in favour of monitor sp
if ( inWS && monIDs ){
g_log.information("Both input workspace MonitorSpectrum number and detector ID are specified. Ignoring Detector ID");
monIDs = false;
}
// separate ws takes over detectorID (this logic is dublicated within getInWSMonitorSpectrum)
if ( sepWS && monIDs ){
g_log.information("Both input MonitorWorkspace and detector ID are specified. Ignoring Detector ID");
}
// Do a check for common binning and store
m_commonBins = API::WorkspaceHelpers::commonBoundaries(inputWorkspace);
int spec_num(-1);
// Check the monitor spectrum or workspace and extract into new workspace
m_monitor = sepWS ? this->getMonitorWorkspace(inputWorkspace,spec_num) : this->getInWSMonitorSpectrum(inputWorkspace,spec_num) ;
// Check that the 'monitor' spectrum actually relates to a monitor - warn if not
try {
Geometry::IDetector_const_sptr mon = m_monitor->getDetector(0);
if ( !mon->isMonitor() )
{
g_log.warning()<<"The spectrum N: "<<spec_num<<" in MonitorWorkspace does not refer to a monitor.\n"
<<"Continuing with normalisation regardless.";
}
} catch (Kernel::Exception::NotFoundError &) {
g_log.warning("Unable to check if the spectrum provided relates to a monitor - "
"the instrument is not fully specified.\n"
"Continuing with normalisation regardless.");
}
}
/** Calculates the total flightpath for the given detector.
* This is L1+L2 normally, but is the source-detector distance for a monitor.
* @param spectrum :: The workspace index
* @param L1 :: The primary flightpath
* @param isMonitor :: Output: true is this detector is a monitor
* @return The flightpath (Ld) for the detector linked to spectrum
* @throw Kernel::Exception::InstrumentDefinitionError if the detector position
* can't be obtained
*/
double UnwrapMonitor::calculateFlightpath(const int &spectrum, const double &L1,
bool &isMonitor) const {
double Ld = -1.0;
try {
// Get the detector object for this histogram
Geometry::IDetector_const_sptr det = m_inputWS->getDetector(spectrum);
// Get the sample-detector distance for this detector (or source-detector if
// a monitor)
// This is the total flightpath
isMonitor = det->isMonitor();
// Get the L2 distance if this detector is not a monitor
if (!isMonitor) {
double L2 = det->getDistance(*(m_inputWS->getInstrument()->getSample()));
Ld = L1 + L2;
}
// If it is a monitor, then the flightpath is the distance to the source
else {
Ld = det->getDistance(*(m_inputWS->getInstrument()->getSource()));
}
} catch (Exception::NotFoundError &) {
// If the detector information is missing, return a negative number
}
return Ld;
}
/**
* Corrects a spectra for the detector efficiency calculated from detector
* information. Gets the detector information and uses this to calculate its
* efficiency
* @param spectraIndex :: index of the spectrum to get the efficiency for
* @throw invalid_argument if the shape of a detector is isn't a cylinder
* aligned along one axis
* @throw runtime_error if the SpectraDetectorMap has not been filled
* @throw NotFoundError if the detector or its gas pressure or wall thickness
* were not found
*/
void He3TubeEfficiency::correctForEfficiency(std::size_t spectraIndex)
{
Geometry::IDetector_const_sptr det = this->inputWS->getDetector(spectraIndex);
if( det->isMonitor() || det->isMasked() )
{
return;
}
const double exp_constant = this->calculateExponential(spectraIndex, det);
const double scale = this->getProperty("ScaleFactor");
Mantid::MantidVec &yout = this->outputWS->dataY(spectraIndex);
Mantid::MantidVec &eout = this->outputWS->dataE(spectraIndex);
// Need the original values so this is not a reference
const Mantid::MantidVec yValues = this->inputWS->readY(spectraIndex);
const Mantid::MantidVec eValues = this->inputWS->readE(spectraIndex);
std::vector<double>::const_iterator yinItr = yValues.begin();
std::vector<double>::const_iterator einItr = eValues.begin();
Mantid::MantidVec::const_iterator xItr = this->inputWS->readX(spectraIndex).begin();
Mantid::MantidVec::iterator youtItr = yout.begin();
Mantid::MantidVec::iterator eoutItr = eout.begin();
for( ; youtItr != yout.end(); ++youtItr, ++eoutItr)
{
const double wavelength = (*xItr + *(xItr + 1)) / 2.0;
const double effcorr = this->detectorEfficiency(exp_constant * wavelength, scale);
*youtItr = (*yinItr) * effcorr;
*eoutItr = (*einItr) * effcorr;
++yinItr; ++einItr;
++xItr;
}
return;
}
/** Purpose: Process mask workspace
* Requirement: m_maskWS is not None
* Guarantees: an array will be set up for masked detectors
* @brief IntegratePeaksCWSD::processMaskWorkspace
* @param maskws
*/
std::vector<detid_t> IntegratePeaksCWSD::processMaskWorkspace(
DataObjects::MaskWorkspace_const_sptr maskws) {
std::vector<detid_t> vecMaskedDetID;
// Add the detector IDs of all masked detector to a vector
size_t numspec = maskws->getNumberHistograms();
for (size_t iws = 0; iws < numspec; ++iws) {
Geometry::IDetector_const_sptr detector = maskws->getDetector(iws);
const MantidVec &vecY = maskws->readY(iws);
if (vecY[0] > 0.1) {
// vecY[] > 0 is masked. det->isMasked() may not be reliable.
detid_t detid = detector->getID();
vecMaskedDetID.push_back(detid);
}
}
// Sort the vector for future lookup
if (vecMaskedDetID.size() > 1)
std::sort(vecMaskedDetID.begin(), vecMaskedDetID.end());
g_log.warning() << "[DB] There are " << vecMaskedDetID.size()
<< " detectors masked."
<< "\n";
return vecMaskedDetID;
}
int LoadIsawPeaks::findPixelID(Instrument_const_sptr inst, std::string bankName, int col, int row)
{
boost::shared_ptr<const IComponent> parent = inst->getComponentByName(bankName);
if (parent->type().compare("RectangularDetector") == 0)
{
boost::shared_ptr<const RectangularDetector> RDet = boost::dynamic_pointer_cast<
const RectangularDetector>(parent);
boost::shared_ptr<Detector> pixel = RDet->getAtXY(col, row);
return pixel->getID();
}
else
{
std::vector<Geometry::IComponent_const_sptr> children;
boost::shared_ptr<const Geometry::ICompAssembly> asmb = boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(parent);
asmb->getChildren(children, false);
int col0 = (col%2==0 ? col/2+75 : (col-1)/2);
boost::shared_ptr<const Geometry::ICompAssembly> asmb2 = boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(children[col0]);
std::vector<Geometry::IComponent_const_sptr> grandchildren;
asmb2->getChildren(grandchildren,false);
Geometry::IComponent_const_sptr first = grandchildren[row-1];
Geometry::IDetector_const_sptr det = boost::dynamic_pointer_cast<const Geometry::IDetector>(first);
return det->getID();
}
}
/** Extract a component's detectors and return it within detectors array
* It is a generalized version of bankToDetectors()
*
* @param componentnames -- vector of component names to process
* @param detectors -- vector of detector ids, which belongs to components
*provided as input.
*/
void LoadMask::componentToDetectors(
const std::vector<std::string> &componentnames,
std::vector<detid_t> &detectors) {
Geometry::Instrument_const_sptr minstrument = m_maskWS->getInstrument();
for (auto &componentname : componentnames) {
g_log.debug() << "Component name = " << componentname << '\n';
// a) get component
Geometry::IComponent_const_sptr component =
minstrument->getComponentByName(componentname);
if (component)
g_log.debug() << "Component ID = " << component->getComponentID() << '\n';
else {
// A non-exiting component. Ignore
g_log.warning() << "Component " << componentname << " does not exist!\n";
continue;
}
// b) component -> component assembly --> children (more than detectors)
boost::shared_ptr<const Geometry::ICompAssembly> asmb =
boost::dynamic_pointer_cast<const Geometry::ICompAssembly>(component);
std::vector<Geometry::IComponent_const_sptr> children;
asmb->getChildren(children, true);
g_log.debug() << "Number of Children = " << children.size() << '\n';
size_t numdets(0);
detid_t id_min(std::numeric_limits<Mantid::detid_t>::max());
detid_t id_max(0);
for (const auto &child : children) {
// c) convert component to detector
Geometry::IDetector_const_sptr det =
boost::dynamic_pointer_cast<const Geometry::IDetector>(child);
if (det) {
detid_t detid = det->getID();
detectors.push_back(detid);
numdets++;
if (detid < id_min)
id_min = detid;
if (detid > id_max)
id_max = detid;
}
}
g_log.debug() << "Number of Detectors in Children = " << numdets
<< " Range = " << id_min << ", " << id_max << '\n';
} // for component
}
/** Update the shape cache if necessary
* @param det :: a pointer to the detector to query
* @param detRadius :: An output parameter that contains the detector radius
* @param detAxis :: An output parameter that contains the detector axis vector
*/
void DetectorEfficiencyCor::getDetectorGeometry(const Geometry::IDetector_const_sptr & det, double & detRadius, V3D & detAxis)
{
boost::shared_ptr<const Object> shape_sptr = det->shape();
if(!shape_sptr->hasValidShape())
{
throw Exception::NotFoundError("Shape", "Detector has no shape");
}
std::map<const Geometry::Object *, std::pair<double, Kernel::V3D> >::const_iterator it =
m_shapeCache.find(shape_sptr.get());
if( it == m_shapeCache.end() )
{
double xDist = distToSurface( V3D(DIST_TO_UNIVERSE_EDGE, 0, 0), shape_sptr.get() );
double zDist = distToSurface( V3D(0, 0, DIST_TO_UNIVERSE_EDGE), shape_sptr.get() );
if ( std::abs(zDist - xDist) < 1e-8 )
{
detRadius = zDist/2.0;
detAxis = V3D(0,1,0);
// assume radi in z and x and the axis is in the y
PARALLEL_CRITICAL(deteff_shapecachea)
{
m_shapeCache.insert(std::pair<const Object *,std::pair<double, V3D> >(shape_sptr.get(), std::pair<double, V3D>(detRadius, detAxis)));
}
return;
}
/**
* Update the shape cache if necessary
* @param det :: a pointer to the detector to query
* @param detRadius :: An output parameter that contains the detector radius
* @param detAxis :: An output parameter that contains the detector axis vector
*/
void He3TubeEfficiency::getDetectorGeometry(\
Geometry::IDetector_const_sptr det,
double & detRadius, Kernel::V3D & detAxis)
{
boost::shared_ptr<const Geometry::Object> shape_sptr = det->shape();
std::map<const Geometry::Object *, std::pair<double, Kernel::V3D> >::const_iterator it =
this->shapeCache.find(shape_sptr.get());
if( it == this->shapeCache.end() )
{
double xDist = distToSurface( Kernel::V3D(DIST_TO_UNIVERSE_EDGE, 0, 0),
shape_sptr.get() );
double zDist = distToSurface( Kernel::V3D(0, 0, DIST_TO_UNIVERSE_EDGE),
shape_sptr.get() );
if ( std::abs(zDist - xDist) < 1e-8 )
{
detRadius = zDist / 2.0;
detAxis = Kernel::V3D(0, 1, 0);
// assume radii in z and x and the axis is in the y
PARALLEL_CRITICAL(deteff_shapecachea)
{
this->shapeCache.insert(std::pair<const Geometry::Object *,
std::pair<double, Kernel::V3D> >(shape_sptr.get(),
std::pair<double, Kernel::V3D>(detRadius, detAxis)));
}
return;
}
/// helper function to preprocess the detectors directions
void
ConvertToQ3DdE::process_detectors_positions(const DataObjects::Workspace2D_const_sptr inputWS)
{
const size_t nHist = inputWS->getNumberHistograms();
det_loc.det_dir.resize(nHist);
det_loc.det_id.resize(nHist);
// Loop over the spectra
size_t ic(0);
for (size_t i = 0; i < nHist; 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;
det_loc.det_id[ic] = spDet->getID();
// dist = spDet->getDistance(*sample);
double polar = inputWS->detectorTwoTheta(spDet);
double azim = spDet->getPhi();
double sPhi=sin(polar);
double ez = cos(polar);
double ex = sPhi*cos(azim);
double ey = sPhi*sin(azim);
det_loc.det_dir[ic].setX(ex);
det_loc.det_dir[ic].setY(ey);
det_loc.det_dir[ic].setZ(ez);
ic++;
}
//
if(ic<nHist){
det_loc.det_dir.resize(ic);
det_loc.det_id.resize(ic);
}
}
/**
* Set the new detector position given the r,theta and phi.
* @param det :: A pointer to the detector
* @param l2 :: A single l2
* @param theta :: A single theta
* @param phi :: A single phi
*/
void UpdateInstrumentFromFile::setDetectorPosition(const Geometry::IDetector_const_sptr & det, const float l2,
const float theta, const float phi)
{
if( m_ignoreMonitors && det->isMonitor() ) return;
Geometry::ParameterMap & pmap = m_workspace->instrumentParameters();
Kernel::V3D pos;
if (!m_ignorePhi)
{
pos.spherical(l2, theta, phi);
}
else
{
double r,t,p;
det->getPos().getSpherical(r,t,p);
pos.spherical(l2, theta, p);
}
Geometry::ComponentHelper::moveComponent(*det, pmap, pos, Geometry::ComponentHelper::Absolute);
}
std::pair<double, double> LoadILLSANS::calculateQMaxQMin() {
double min = std::numeric_limits<double>::max(),
max = std::numeric_limits<double>::min();
g_log.debug("Calculating Qmin Qmax...");
std::size_t nHist = m_localWorkspace->getNumberHistograms();
for (std::size_t i = 0; i < nHist; ++i) {
Geometry::IDetector_const_sptr det = m_localWorkspace->getDetector(i);
if (!det->isMonitor()) {
const MantidVec &lambdaBinning = m_localWorkspace->readX(i);
Kernel::V3D detPos = det->getPos();
double r, theta, phi;
detPos.getSpherical(r, theta, phi);
double v1 = calculateQ(*(lambdaBinning.begin()), theta);
double v2 = calculateQ(*(lambdaBinning.end() - 1), theta);
// std::cout << "i=" << i << " theta="<<theta << " lambda_i=" <<
// *(lambdaBinning.begin()) << " lambda_f=" << *(lambdaBinning.end()-1) <<
// " v1=" << v1 << " v2=" << v2 << '\n';
if (i == 0) {
min = v1;
max = v1;
}
if (v1 < min) {
min = v1;
}
if (v2 < min) {
min = v2;
}
if (v1 > max) {
max = v1;
}
if (v2 > max) {
max = v2;
}
} else
g_log.debug() << "Detector " << i << " is a Monitor : " << det->getID()
<< '\n';
}
g_log.debug() << "Calculating Qmin Qmax. Done : [" << min << "," << max
<< "]\n";
return std::pair<double, double>(min, max);
}
/**
*
* @param pmap A reference to the ParameterMap instance to update
* @param det A pointer to the detector whose parameters should be updated
* @param l2 The new l2 value
* @param theta The new theta value
* @param phi The new phi value
* @param delay The new delay time
* @param pressure The new pressure value
* @param thickness The new thickness value
*/
void LoadDetectorInfo::updateParameterMap(Geometry::ParameterMap & pmap,
const Geometry::IDetector_const_sptr & det,
const double l2, const double theta, const double phi,
const double delay, const double pressure,
const double thickness) const
{
// store detector params that are different to instrument level
if(fabs(delay - m_instDelta) > 1e-06) pmap.addDouble(det->getComponentID(), DELAY_PARAM, delay);
if(fabs(pressure - m_instPressure) > 1e-06) pmap.addDouble(det->getComponentID(), PRESSURE_PARAM, pressure);
if(fabs(thickness - m_instThickness) > 1e-06) pmap.addDouble(det->getComponentID(), THICKNESS_PARAM, thickness);
// move
if(m_moveDets)
{
V3D newPos;
newPos.spherical(l2, theta, phi);
// The sample position may not be at 0,0,0
newPos += m_samplePos;
ComponentHelper::moveComponent(*det, pmap, newPos, ComponentHelper::Absolute);
}
}
/**
* This function calculates the exponential contribution to the He3 tube
* efficiency.
* @param spectraIndex :: the current index to calculate
* @param idet :: the current detector pointer
* @throw out_of_range if twice tube thickness is greater than tube diameter
* @return the exponential contribution for the given detector
*/
double He3TubeEfficiency::calculateExponential(std::size_t spectraIndex, Geometry::IDetector_const_sptr idet)
{
// Get the parameters for the current associated tube
double pressure = this->getParameter("TubePressure", spectraIndex,
"tube_pressure", idet);
double tubethickness = this->getParameter("TubeThickness", spectraIndex,
"tube_thickness", idet);
double temperature = this->getParameter("TubeTemperature", spectraIndex,
"tube_temperature", idet);
double detRadius(0.0);
Kernel::V3D detAxis;
this->getDetectorGeometry(idet, detRadius, detAxis);
double detDiameter = 2.0 * detRadius;
double twiceTubeThickness = 2.0 * tubethickness;
// now get the sin of the angle, it's the magnitude of the cross product of
// unit vector along the detector tube axis and a unit vector directed from
// the sample to the detector center
Kernel::V3D vectorFromSample = idet->getPos() - this->samplePos;
vectorFromSample.normalize();
Kernel::Quat rot = idet->getRotation();
// rotate the original cylinder object axis to get the detector axis in the
// actual instrument
rot.rotate(detAxis);
detAxis.normalize();
// Scalar product is quicker than cross product
double cosTheta = detAxis.scalar_prod(vectorFromSample);
double sinTheta = std::sqrt(1.0 - cosTheta * cosTheta);
const double straight_path = detDiameter - twiceTubeThickness;
if (std::fabs(straight_path - 0.0) < TOL)
{
throw std::out_of_range("Twice tube thickness cannot be greater than "\
"or equal to the tube diameter");
}
const double pathlength = straight_path / sinTheta;
return EXP_SCALAR_CONST * (pressure / temperature) * pathlength;
}
/** 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++;
}
}
/**
* If the InstrumentParameter property is set then it attempts to retrieve the parameter
* from the component, else it returns the value of the Factor property
* @param inputWS A pointer to the input workspace
* @param index The current index to inspect
* @return Value for the scale factor
*/
double ScaleX::getScaleFactor(const API::MatrixWorkspace_const_sptr & inputWS, const size_t index)
{
if(m_parname.empty()) return m_algFactor;
// Try and get factor from component. If we see a DetectorGroup use this will use the first component
Geometry::IDetector_const_sptr det;
auto inst = inputWS->getInstrument();
auto *spec = inputWS->getSpectrum(index);
const auto & ids = spec->getDetectorIDs();
const size_t ndets(ids.size());
if(ndets > 0)
{
try
{
det = inst->getDetector(*ids.begin());
}
catch(Exception::NotFoundError&)
{
return 0.0;
}
}
else return 0.0;
const auto & pmap = inputWS->constInstrumentParameters();
auto par = pmap.getRecursive(det->getComponentID(), m_parname);
if(par)
{
if(!m_combine) return par->value<double>();
else return m_binOp(m_algFactor,par->value<double>());
}
else
{
std::ostringstream os;
os << "Spectrum at index '" << index << "' has no parameter named '" << m_parname << "'\n";
throw std::runtime_error(os.str());
}
}
/**Calculates the distance a neutron coming from the sample will have deviated
* from a
* straight tragetory before hitting a detector. If calling this function many
* times
* for the same detector you can call this function once, with waveLength=1, and
* use
* the fact drop is proportional to wave length squared .This function has no
* knowledge
* of which axis is vertical for a given instrument
* @param ws :: workspace
* @param det :: the detector that the neutron entered
* @param waveLength :: the neutrons wave length in meters
* @param extraLength :: additional length
* @return the deviation in meters
*/
double GravitySANSHelper::gravitationalDrop(API::MatrixWorkspace_const_sptr ws,
Geometry::IDetector_const_sptr det,
const double waveLength,
const double extraLength) const {
using namespace PhysicalConstants;
/// Pre-factor in gravity calculation: gm^2/2h^2
static const double gm2_OVER_2h2 =
g * NeutronMass * NeutronMass / (2.0 * h * h);
const V3D samplePos = ws->getInstrument()->getSample()->getPos();
const double pathLength = det->getPos().distance(samplePos) + extraLength;
// Want L2 (sample-pixel distance) squared, times the prefactor g^2/h^2
const double L2 = gm2_OVER_2h2 * std::pow(pathLength, 2);
return waveLength * waveLength * L2;
}
/**
* Return the efixed for this detector
* @param det :: A pointer to a detector object
* @return The value of efixed
*/
double SofQW3::getEFixed(Geometry::IDetector_const_sptr det) const
{
double efixed(0.0);
if( m_emode == 1 ) //Direct
{
efixed = m_efixed;
}
else // Indirect
{
if( m_efixedGiven ) efixed = m_efixed; // user provided a value
else
{
std::vector<double> param = det->getNumberParameter("EFixed");
if( param.empty() ) throw std::runtime_error("Cannot find EFixed parameter for component \"" + det->getName()
+ "\". This is required in indirect mode. Please check the IDF contains these values.");
efixed = param[0];
}
}
return efixed;
}
/**Calculates the distance a neutron coming from the sample will have deviated
* from a
* straight tragetory before hitting a detector. If calling this function many
* times
* for the same detector you can call this function once, with waveLength=1, and
* use
* the fact drop is proportional to wave length squared .This function has no
* knowledge
* of which axis is vertical for a given instrument
* @param ws :: workspace
* @param det :: the detector that the neutron entered
* @param waveLength :: the neutrons wave length in meters
* @param extraLength :: additional length
* @return the deviation in meters
*/
double GravitySANSHelper::gravitationalDrop(API::MatrixWorkspace_const_sptr ws,
Geometry::IDetector_const_sptr det,
const double waveLength,
const double extraLength) const {
using namespace PhysicalConstants;
/// Pre-factor in gravity calculation: gm^2/2h^2
static const double gm2_OVER_2h2 =
g * NeutronMass * NeutronMass / (2.0 * h * h);
const V3D samplePos = ws->getInstrument()->getSample()->getPos();
// Perform a path length correction if an Lextra is specified.
// The correction is Lcorr^2 = (L + Lextra)^2 -(LExtra)^2
const auto pathLengthWithExtraLength =
det->getPos().distance(samplePos) + extraLength;
const auto pathLengthSquared =
std::pow(pathLengthWithExtraLength, 2) - std::pow(extraLength, 2);
// Want L2 (sample-pixel distance) squared, times the prefactor g^2/h^2
const double L2 = gm2_OVER_2h2 * pathLengthSquared;
return waveLength * waveLength * L2;
}
/**
* 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::formGroupsEvent( DataObjects::EventWorkspace_const_sptr inputWS, DataObjects::EventWorkspace_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
EventList & outEL = outputWS->getEventList(outIndex);
// The spectrum number of the group is the key
outEL.setSpectrumNo(it->first);
// Start fresh with no detector IDs
outEL.clearDetectorIDs();
// 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;
const EventList & fromEL=inputWS->getEventList(originalWI);
//Add the event lists with the operator
outEL += fromEL;
// detectors to add to the output spectrum
outEL.addDetectorIDs(fromEL.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->doneAddingEventLists();
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;
}
/**
* 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;
}
/** method to cacluate the detectors parameters and add them to the detectors
*averages
*@param spDet -- shared pointer to the Mantid Detector
*@param Observer -- sample position or the centre of the polar system of
*coordinates to calculate detector's parameters.
*/
void AvrgDetector::addDetInfo(const Geometry::IDetector_const_sptr &spDet,
const Kernel::V3D &Observer) {
m_nComponents++;
Kernel::V3D detPos = spDet->getPos();
Kernel::V3D toDet = (detPos - Observer);
double dist2Det, Polar, Azimut, ringPolar, ringAzim;
// identify the detector' position in the beam coordinate system:
toDet.getSpherical(dist2Det, Polar, Azimut);
if (m_nComponents <= 1) {
m_FlightPathSum = dist2Det;
m_PolarSum = Polar;
m_AzimutSum = Azimut;
m_AzimBase = Polar;
m_PolarBase = Azimut;
ringPolar = Polar;
ringAzim = Azimut;
} else {
ringPolar = nearAngle(m_AzimBase, Polar);
ringAzim = nearAngle(m_PolarBase, Azimut);
m_FlightPathSum += dist2Det;
m_PolarSum += ringPolar;
m_AzimutSum += ringAzim;
}
// centre of the azimuthal ring (the ring detectors form around the beam)
Kernel::V3D ringCentre(0, 0, toDet.Z());
// Get the bounding box
Geometry::BoundingBox bbox;
std::vector<Kernel::V3D> coord(3);
Kernel::V3D er(0, 1, 0), e_th,
ez(0, 0, 1); // ez along beamline, which is always oz;
if (dist2Det)
er = toDet / dist2Det; // direction to the detector
Kernel::V3D e_tg =
er.cross_prod(ez); // tangential to the ring and anticloakwise;
e_tg.normalize();
// make orthogonal -- projections are calculated in this coordinate system
ez = e_tg.cross_prod(er);
coord[0] = er; // new X
coord[1] = ez; // new y
coord[2] = e_tg; // new z
bbox.setBoxAlignment(ringCentre, coord);
spDet->getBoundingBox(bbox);
// linear extensions of the bounding box orientied tangentially to the equal
// scattering angle circle
double azimMin = bbox.zMin();
double azimMax = bbox.zMax();
double polarMin = bbox.yMin(); // bounding box has been rotated according to
// coord above, so z is along e_tg
double polarMax = bbox.yMax();
if (m_useSphericalSizes) {
if (dist2Det == 0)
dist2Det = 1;
// convert to angular units
double polarHalfSize =
rad2deg * atan2(0.5 * (polarMax - polarMin), dist2Det);
double azimHalfSize = rad2deg * atan2(0.5 * (azimMax - azimMin), dist2Det);
polarMin = ringPolar - polarHalfSize;
polarMax = ringPolar + polarHalfSize;
azimMin = ringAzim - azimHalfSize;
azimMax = ringAzim + azimHalfSize;
}
if (m_AzimMin > azimMin)
m_AzimMin = azimMin;
if (m_AzimMax < azimMax)
m_AzimMax = azimMax;
if (m_PolarMin > polarMin)
m_PolarMin = polarMin;
if (m_PolarMax < polarMax)
m_PolarMax = polarMax;
}
/** Executes the algorithm
*@param localworkspace :: the input workspace
*@param indices :: set of indices to sum up
*/
void SumSpectra::execEvent(EventWorkspace_const_sptr localworkspace,
std::set<int> &indices) {
// Make a brand new EventWorkspace
EventWorkspace_sptr outputWorkspace =
boost::dynamic_pointer_cast<EventWorkspace>(
API::WorkspaceFactory::Instance().create("EventWorkspace", 1, 2, 1));
// Copy geometry over.
API::WorkspaceFactory::Instance().initializeFromParent(localworkspace,
outputWorkspace, true);
Progress progress(this, 0, 1, indices.size());
// Get the pointer to the output event list
EventList &outEL = outputWorkspace->getEventList(0);
outEL.setSpectrumNo(m_outSpecId);
outEL.clearDetectorIDs();
// Loop over spectra
std::set<int>::iterator it;
size_t numSpectra(0);
size_t numMasked(0);
size_t numZeros(0);
// for (int i = m_minSpec; i <= m_maxSpec; ++i)
for (it = indices.begin(); it != indices.end(); ++it) {
int i = *it;
// Don't go outside the range.
if ((i >= m_numberOfSpectra) || (i < 0)) {
g_log.error() << "Invalid index " << i
<< " was specified. Sum was aborted.\n";
break;
}
try {
// Get the detector object for this spectrum
Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
// Skip monitors, if the property is set to do so
if (!m_keepMonitors && det->isMonitor())
continue;
// Skip masked detectors
if (det->isMasked()) {
numMasked++;
continue;
}
} catch (...) {
// if the detector not found just carry on
}
numSpectra++;
// Add the event lists with the operator
const EventList &tOutEL = localworkspace->getEventList(i);
if (tOutEL.empty()) {
++numZeros;
}
outEL += tOutEL;
progress.report();
}
// Set all X bins on the output
cow_ptr<MantidVec> XValues;
XValues.access() = localworkspace->readX(0);
outputWorkspace->setAllX(XValues);
outputWorkspace->mutableRun().addProperty("NumAllSpectra", int(numSpectra),
"", true);
outputWorkspace->mutableRun().addProperty("NumMaskSpectra", int(numMasked),
"", true);
outputWorkspace->mutableRun().addProperty("NumZeroSpectra", int(numZeros), "",
true);
// Assign it to the output workspace property
setProperty("OutputWorkspace",
boost::dynamic_pointer_cast<MatrixWorkspace>(outputWorkspace));
}
/**
* This function handles the logic for summing RebinnedOutput workspaces.
* @param outputWorkspace the workspace to hold the summed input
* @param progress the progress indicator
* @param numSpectra
* @param numMasked
* @param numZeros
*/
void SumSpectra::doRebinnedOutput(MatrixWorkspace_sptr outputWorkspace,
Progress &progress, size_t &numSpectra,
size_t &numMasked, size_t &numZeros) {
// Get a copy of the input workspace
MatrixWorkspace_sptr temp = getProperty("InputWorkspace");
// First, we need to clean the input workspace for nan's and inf's in order
// to treat the data correctly later. This will create a new private
// workspace that will be retrieved as mutable.
IAlgorithm_sptr alg = this->createChildAlgorithm("ReplaceSpecialValues");
alg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", temp);
std::string outName = "_" + temp->getName() + "_clean";
alg->setProperty("OutputWorkspace", outName);
alg->setProperty("NaNValue", 0.0);
alg->setProperty("NaNError", 0.0);
alg->setProperty("InfinityValue", 0.0);
alg->setProperty("InfinityError", 0.0);
alg->executeAsChildAlg();
MatrixWorkspace_sptr localworkspace = alg->getProperty("OutputWorkspace");
// Transform to real workspace types
RebinnedOutput_sptr inWS =
boost::dynamic_pointer_cast<RebinnedOutput>(localworkspace);
RebinnedOutput_sptr outWS =
boost::dynamic_pointer_cast<RebinnedOutput>(outputWorkspace);
// Get references to the output workspaces's data vectors
ISpectrum *outSpec = outputWorkspace->getSpectrum(0);
MantidVec &YSum = outSpec->dataY();
MantidVec &YError = outSpec->dataE();
MantidVec &FracSum = outWS->dataF(0);
MantidVec Weight;
std::vector<size_t> nZeros;
if (m_calculateWeightedSum) {
Weight.assign(YSum.size(), 0);
nZeros.assign(YSum.size(), 0);
}
numSpectra = 0;
numMasked = 0;
numZeros = 0;
// Loop over spectra
std::set<int>::iterator it;
// for (int i = m_minSpec; i <= m_maxSpec; ++i)
for (it = m_indices.begin(); it != m_indices.end(); ++it) {
int i = *it;
// Don't go outside the range.
if ((i >= m_numberOfSpectra) || (i < 0)) {
g_log.error() << "Invalid index " << i
<< " was specified. Sum was aborted.\n";
break;
}
try {
// Get the detector object for this spectrum
Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
// Skip monitors, if the property is set to do so
if (!m_keepMonitors && det->isMonitor())
continue;
// Skip masked detectors
if (det->isMasked()) {
numMasked++;
continue;
}
} catch (...) {
// if the detector not found just carry on
}
numSpectra++;
// Retrieve the spectrum into a vector
const MantidVec &YValues = localworkspace->readY(i);
const MantidVec &YErrors = localworkspace->readE(i);
const MantidVec &FracArea = inWS->readF(i);
if (m_calculateWeightedSum) {
for (int k = 0; k < this->m_yLength; ++k) {
if (YErrors[k] != 0) {
double errsq = YErrors[k] * YErrors[k] * FracArea[k] * FracArea[k];
YError[k] += errsq;
Weight[k] += 1. / errsq;
YSum[k] += YValues[k] * FracArea[k] / errsq;
FracSum[k] += FracArea[k];
} else {
nZeros[k]++;
FracSum[k] += FracArea[k];
}
}
} else {
for (int k = 0; k < this->m_yLength; ++k) {
YSum[k] += YValues[k] * FracArea[k];
YError[k] += YErrors[k] * YErrors[k] * FracArea[k] * FracArea[k];
FracSum[k] += FracArea[k];
}
}
// Map all the detectors onto the spectrum of the output
outSpec->addDetectorIDs(localworkspace->getSpectrum(i)->getDetectorIDs());
progress.report();
}
if (m_calculateWeightedSum) {
numZeros = 0;
for (size_t i = 0; i < Weight.size(); i++) {
if (nZeros[i] == 0)
YSum[i] *= double(numSpectra) / Weight[i];
else
numZeros += nZeros[i];
}
}
// Create the correct representation
outWS->finalize();
}
/**
* This function deals with the logic necessary for summing a Workspace2D.
* @param localworkspace The input workspace for summing.
* @param outSpec The spectrum for the summed output.
* @param progress The progress indicator.
* @param numSpectra The number of spectra contributed to the sum.
* @param numMasked The spectra dropped from the summations because they are
* masked.
* @param numZeros The number of zero bins in histogram workspace or empty
* spectra for event workspace.
*/
void SumSpectra::doWorkspace2D(MatrixWorkspace_const_sptr localworkspace,
ISpectrum *outSpec, Progress &progress,
size_t &numSpectra, size_t &numMasked,
size_t &numZeros) {
// Get references to the output workspaces's data vectors
MantidVec &YSum = outSpec->dataY();
MantidVec &YError = outSpec->dataE();
MantidVec Weight;
std::vector<size_t> nZeros;
if (m_calculateWeightedSum) {
Weight.assign(YSum.size(), 0);
nZeros.assign(YSum.size(), 0);
}
numSpectra = 0;
numMasked = 0;
numZeros = 0;
// Loop over spectra
std::set<int>::iterator it;
// for (int i = m_minSpec; i <= m_maxSpec; ++i)
for (it = this->m_indices.begin(); it != this->m_indices.end(); ++it) {
int i = *it;
// Don't go outside the range.
if ((i >= this->m_numberOfSpectra) || (i < 0)) {
g_log.error() << "Invalid index " << i
<< " was specified. Sum was aborted.\n";
break;
}
try {
// Get the detector object for this spectrum
Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
// Skip monitors, if the property is set to do so
if (!m_keepMonitors && det->isMonitor())
continue;
// Skip masked detectors
if (det->isMasked()) {
numMasked++;
continue;
}
} catch (...) {
// if the detector not found just carry on
}
numSpectra++;
// Retrieve the spectrum into a vector
const MantidVec &YValues = localworkspace->readY(i);
const MantidVec &YErrors = localworkspace->readE(i);
if (m_calculateWeightedSum) {
for (int k = 0; k < this->m_yLength; ++k) {
if (YErrors[k] != 0) {
double errsq = YErrors[k] * YErrors[k];
YError[k] += errsq;
Weight[k] += 1. / errsq;
YSum[k] += YValues[k] / errsq;
} else {
nZeros[k]++;
}
}
} else {
for (int k = 0; k < this->m_yLength; ++k) {
YSum[k] += YValues[k];
YError[k] += YErrors[k] * YErrors[k];
}
}
// Map all the detectors onto the spectrum of the output
outSpec->addDetectorIDs(localworkspace->getSpectrum(i)->getDetectorIDs());
progress.report();
}
if (m_calculateWeightedSum) {
numZeros = 0;
for (size_t i = 0; i < Weight.size(); i++) {
if (nZeros[i] == 0)
YSum[i] *= double(numSpectra) / Weight[i];
else
numZeros += nZeros[i];
}
}
}
