/** * 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); }