/**
* Construct an "empty" output workspace in virtual-lambda for summation in Q.
* The workspace will have the same x values as the input workspace but the y
* values will all be zero.
*
* @return : a 1D workspace where y values are all zero
*/
MatrixWorkspace_sptr
ReflectometryReductionOne2::constructIvsLamWS(MatrixWorkspace_sptr detectorWS) {
// There is one output spectrum for each detector group
const size_t numGroups = detectorGroups().size();
// Calculate the number of bins based on the min/max wavelength, using
// the same bin width as the input workspace
const double binWidth = (detectorWS->x(0).back() - detectorWS->x(0).front()) /
static_cast<double>(detectorWS->blocksize());
const int numBins = static_cast<int>(
std::ceil((wavelengthMax() - wavelengthMin()) / binWidth));
// Construct the histogram with these X values. Y and E values are zero.
const BinEdges xValues(numBins, LinearGenerator(wavelengthMin(), binWidth));
// Create the output workspace
MatrixWorkspace_sptr outputWS = WorkspaceFactory::Instance().create(
detectorWS, numGroups, numBins, numBins - 1);
// Loop through each detector group in the input
for (size_t groupIdx = 0; groupIdx < numGroups; ++groupIdx) {
// Get the detectors in this group
auto &detectors = detectorGroups()[groupIdx];
// Set the x values for this spectrum
outputWS->setBinEdges(groupIdx, xValues);
// Set the detector ID from the twoThetaR detector.
const size_t twoThetaRIdx = twoThetaRDetectorIdx(detectors);
auto &outSpec = outputWS->getSpectrum(groupIdx);
const detid_t twoThetaRDetID =
m_spectrumInfo->detector(twoThetaRIdx).getID();
outSpec.clearDetectorIDs();
outSpec.addDetectorID(twoThetaRDetID);
// Set the spectrum number from the twoThetaR detector
SpectrumNumber specNum =
detectorWS->indexInfo().spectrumNumber(twoThetaRIdx);
auto indexInf = outputWS->indexInfo();
indexInf.setSpectrumNumbers(specNum, specNum);
outputWS->setIndexInfo(indexInf);
}
return outputWS;
}
/** Execute the algorithm.
*/
void EditInstrumentGeometry::exec() {
// Lots of things have to do with the input workspace
MatrixWorkspace_sptr workspace = getProperty("Workspace");
Geometry::Instrument_const_sptr originstrument = workspace->getInstrument();
// Get and check the primary flight path
double l1 = this->getProperty("PrimaryFlightPath");
if (isEmpty(l1)) {
// Use the original L1
if (!originstrument) {
std::string errmsg(
"It is not supported that L1 is not given, ",
"while there is no instrument associated to input workspace.");
g_log.error(errmsg);
throw std::runtime_error(errmsg);
}
Geometry::IComponent_const_sptr source = originstrument->getSource();
Geometry::IComponent_const_sptr sample = originstrument->getSample();
l1 = source->getDistance(*sample);
g_log.information() << "Retrieve L1 from input data workspace. \n";
}
g_log.information() << "Using L1 = " << l1 << "\n";
// Get spectra number in case they are in a funny order
std::vector<int32_t> specids = this->getProperty("SpectrumIDs");
if (specids.empty()) // they are using the order of the input workspace
{
size_t numHist = workspace->getNumberHistograms();
for (size_t i = 0; i < numHist; ++i) {
specids.push_back(workspace->getSpectrum(i).getSpectrumNo());
g_log.information() << "Add spectrum "
<< workspace->getSpectrum(i).getSpectrumNo() << ".\n";
}
}
// Get the detector ids - empsy means ignore it
const vector<int> vec_detids = getProperty("DetectorIDs");
const bool renameDetID(!vec_detids.empty());
// Get individual detector geometries ordered by input spectrum Numbers
const std::vector<double> l2s = this->getProperty("L2");
const std::vector<double> tths = this->getProperty("Polar");
std::vector<double> phis = this->getProperty("Azimuthal");
// empty list of L2 and 2-theta is not allowed
if (l2s.empty()) {
throw std::runtime_error("User must specify L2 for all spectra. ");
}
if (tths.empty()) {
throw std::runtime_error("User must specify 2theta for all spectra.");
}
// empty list of phi means that they are all zero
if (phis.empty()) {
phis.assign(l2s.size(), 0.);
}
// Validate
for (size_t ib = 0; ib < l2s.size(); ib++) {
g_log.information() << "Detector " << specids[ib] << " L2 = " << l2s[ib]
<< " 2Theta = " << tths[ib] << '\n';
if (specids[ib] < 0) {
// Invalid spectrum Number : less than 0.
stringstream errmsgss;
errmsgss << "Detector ID = " << specids[ib] << " cannot be less than 0.";
throw std::invalid_argument(errmsgss.str());
}
if (l2s[ib] <= 0.0) {
throw std::invalid_argument("L2 cannot be less or equal to 0");
}
}
// Keep original instrument and set the new instrument, if necessary
const auto spec2indexmap = workspace->getSpectrumToWorkspaceIndexMap();
// ??? Condition: spectrum has 1 and only 1 detector
size_t nspec = workspace->getNumberHistograms();
// Initialize another set of L2/2-theta/Phi/DetectorIDs vector ordered by
// workspace index
std::vector<double> storL2s(nspec, 0.);
std::vector<double> stor2Thetas(nspec, 0.);
std::vector<double> storPhis(nspec, 0.);
vector<int> storDetIDs(nspec, 0);
// Map the properties from spectrum Number to workspace index
for (size_t i = 0; i < specids.size(); i++) {
// Find spectrum's workspace index
auto it = spec2indexmap.find(specids[i]);
if (it == spec2indexmap.end()) {
stringstream errss;
errss << "Spectrum Number " << specids[i] << " is not found. "
<< "Instrument won't be edited for this spectrum. \n";
g_log.error(errss.str());
throw std::runtime_error(errss.str());
}
// Store and set value
size_t workspaceindex = it->second;
storL2s[workspaceindex] = l2s[i];
stor2Thetas[workspaceindex] = tths[i];
storPhis[workspaceindex] = phis[i];
if (renameDetID)
storDetIDs[workspaceindex] = vec_detids[i];
g_log.debug() << "workspace index = " << workspaceindex
<< " is for Spectrum " << specids[i] << '\n';
}
// Generate a new instrument
// Name of the new instrument
std::string name = std::string(getProperty("InstrumentName"));
if (name.empty()) {
// Use the original L1
if (!originstrument) {
std::string errmsg(
"It is not supported that InstrumentName is not given, ",
"while there is no instrument associated to input workspace.");
g_log.error(errmsg);
throw std::runtime_error(errmsg);
}
name = originstrument->getName();
}
// Create a new instrument from scratch any way.
auto instrument = boost::make_shared<Geometry::Instrument>(name);
if (!bool(instrument)) {
stringstream errss;
errss << "Trying to use a Parametrized Instrument as an Instrument.";
g_log.error(errss.str());
throw std::runtime_error(errss.str());
}
// Set up source and sample information
Geometry::ObjComponent *samplepos =
new Geometry::ObjComponent("Sample", instrument.get());
instrument->add(samplepos);
instrument->markAsSamplePos(samplepos);
samplepos->setPos(0.0, 0.0, 0.0);
Geometry::ObjComponent *source =
new Geometry::ObjComponent("Source", instrument.get());
instrument->add(source);
instrument->markAsSource(source);
source->setPos(0.0, 0.0, -1.0 * l1);
// Add/copy detector information
auto indexInfo = workspace->indexInfo();
std::vector<detid_t> detIDs;
for (size_t i = 0; i < workspace->getNumberHistograms(); i++) {
// Create a new detector.
// (Instrument will take ownership of pointer so no need to delete.)
detid_t newdetid;
if (renameDetID)
newdetid = storDetIDs[i];
else
newdetid = detid_t(i) + 100;
Geometry::Detector *detector =
new Geometry::Detector("det", newdetid, samplepos);
// Set up new detector parameters related to new instrument
double l2 = storL2s[i];
double tth = stor2Thetas[i];
double phi = storPhis[i];
Kernel::V3D pos;
pos.spherical(l2, tth, phi);
detector->setPos(pos);
// Add new detector to spectrum and instrument
// Good and do some debug output
g_log.debug() << "Orignal spectrum " << indexInfo.spectrumNumber(i)
<< "has " << indexInfo.detectorIDs(i).size()
<< " detectors. \n";
detIDs.push_back(newdetid);
instrument->add(detector);
instrument->markAsDetector(detector);
} // ENDFOR workspace index
indexInfo.setDetectorIDs(std::move(detIDs));
workspace->setIndexInfo(indexInfo);
// Add the new instrument
workspace->setInstrument(instrument);
}
