#include "MantidAlgorithms/CalculateResolution.h" #include "MantidAPI/MatrixWorkspace.h" #include "MantidAPI/WorkspaceValidators.h" #include "MantidGeometry/IComponent.h" #include "MantidGeometry/Instrument.h" #include <cmath> #include <boost/shared_ptr.hpp> namespace Mantid { namespace Algorithms { using namespace Mantid::API; using namespace Mantid::Geometry; using namespace Mantid::Kernel; // Register the algorithm into the AlgorithmFactory DECLARE_ALGORITHM(CalculateResolution) //---------------------------------------------------------------------------------------------- /** Constructor */ CalculateResolution::CalculateResolution() { } //---------------------------------------------------------------------------------------------- /** Destructor */ CalculateResolution::~CalculateResolution() { } //---------------------------------------------------------------------------------------------- /// Algorithm's name for identification. @see Algorithm::name const std::string CalculateResolution::name() const { return "CalculateResolution";}; /// Algorithm's version for identification. @see Algorithm::version int CalculateResolution::version() const { return 1;}; /// Algorithm's category for identification. @see Algorithm::category const std::string CalculateResolution::category() const { return "Reflectometry\\ISIS";} /// Algorithm's summary for use in the GUI and help. @see Algorithm::summary const std::string CalculateResolution::summary() const { return "Calculates the reflectometry resolution (dq/q) for a given workspace.";}; //---------------------------------------------------------------------------------------------- /** Initialize the algorithm's properties. */ void CalculateResolution::init() { declareProperty(new WorkspaceProperty<>("Workspace","",Direction::Input,boost::make_shared<InstrumentValidator>()), "Workspace to calculate the instrument resolution of."); declareProperty("TwoTheta", Mantid::EMPTY_DBL(), "Two theta scattering angle in degrees."); declareProperty("FirstSlitName", "slit1", "Component name of the first slit."); declareProperty("SecondSlitName", "slit2", "Component name of the second slit."); declareProperty("VerticalGapParameter", "vertical gap", "Parameter the vertical gap of each slit can be found in."); declareProperty("TwoThetaLogName", "THETA", "Name two theta can be found in the run log as."); declareProperty("Resolution", Mantid::EMPTY_DBL(), "Calculated resolution (dq/q).", Direction::Output); } //---------------------------------------------------------------------------------------------- /** Execute the algorithm. */ void CalculateResolution::exec() { const MatrixWorkspace_sptr ws = getProperty("Workspace"); double twoTheta = getProperty("TwoTheta"); const std::string slit1Name = getProperty("FirstSlitName"); const std::string slit2Name = getProperty("SecondSlitName"); const std::string vGapParam = getProperty("VerticalGapParameter"); const std::string twoThetaLogName = getProperty("TwoThetaLogName"); if(isEmpty(twoTheta)) { const Kernel::Property* logData = ws->mutableRun().getLogData(twoThetaLogName); if(!logData) throw std::runtime_error("Value for two theta could not be found in log. You must provide it."); const std::string twoThetaStr = logData->value(); Mantid::Kernel::Strings::convert<double>(twoThetaStr, twoTheta); g_log.notice() << "Found '" << twoTheta << "' as value for two theta in log." << std::endl; } Instrument_const_sptr instrument = ws->getInstrument(); IComponent_const_sptr slit1 = instrument->getComponentByName(slit1Name); IComponent_const_sptr slit2 = instrument->getComponentByName(slit2Name); if(!slit1) throw std::runtime_error("Could not find component in instrument with name: '" + slit1Name + "'"); if(!slit2) throw std::runtime_error("Could not find component in instrument with name: '" + slit2Name + "'"); const V3D slitDiff = (slit2->getPos() - slit1->getPos()) * 1000; //Convert from mm to m. std::vector<double> slit1VGParam = slit1->getNumberParameter(vGapParam); std::vector<double> slit2VGParam = slit2->getNumberParameter(vGapParam); if(slit1VGParam.size() < 1) throw std::runtime_error("Could not find a value for the first slit's vertical gap with given parameter name: '" + vGapParam + "'."); if(slit2VGParam.size() < 1) throw std::runtime_error("Could not find a value for the second slit's vertical gap with given parameter name: '" + vGapParam + "'."); const double slit1VG = slit1VGParam[0]; const double slit2VG = slit2VGParam[0]; const double totalVertGap = slit1VG + slit2VG; const double slitDist = sqrt(slitDiff.X() * slitDiff.X() + slitDiff.Y() * slitDiff.Y() + slitDiff.Z() * slitDiff.Z()); const double resolution = atan(totalVertGap / (2 * slitDist)) * 180.0 / M_PI / twoTheta; setProperty("Resolution", resolution); } } // namespace Algorithms } // namespace Mantid