refs #5016. Characterise current behaviour.

Pause while we consider whether its possible or better to implement this algorithm in terms of others.
mantidproject · Mar 23, 2012 · 8aa1b08 · 8aa1b08
1 parent f37cd1c
commit 8aa1b08
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diff --git a/Code/Mantid/Framework/MDEvents/src/ConvertToReflectometryQ.cpp b/Code/Mantid/Framework/MDEvents/src/ConvertToReflectometryQ.cpp
@@ -80,100 +80,8 @@ namespace MDEvents
    */
   void ConvertToReflectometryQ::exec()
   {
-
-    //TODO rebin input?
-
-    MatrixWorkspace_sptr in_ws = getProperty("InputWorkspace");
-
-    //TODO, how to calculate max, min + number of bins? Jon Taylor thinks that there is a way to calculate these upfront.
-    const double qzmin = -0.01;
-    const double qxmin = -0.01;
-    const double qxmax = 0.01;
-    const double qzmax = 0.01;
-    const size_t nbinsx = 10;
-    const size_t nbinsz = 10;
-
-    // Fixed dimensionality
-    MDHistoDimension_sptr qxDim = MDHistoDimension_sptr(new MDHistoDimension("Qx","qx","(Ang^-1)", qxmin, qxmax, nbinsx)); 
-    MDHistoDimension_sptr qzDim = MDHistoDimension_sptr(new MDHistoDimension("Qz","qz","(Ang^-1)", qzmin, qzmax, nbinsz)); 
-    MDHistoWorkspace_sptr ws = MDHistoWorkspace_sptr(new MDHistoWorkspace(qxDim, qzDim));
-
-    // check the input units
-    if (in_ws->getAxis(0)->unit()->unitID() != "TOF")
-      throw std::invalid_argument("Input event workspace's X axis must be in TOF units.");
-
-    // Calculate theta incident 
-    Instrument_const_sptr instrument = in_ws->getInstrument();
-    V3D sample = instrument->getSample()->getPos();
-    V3D source = instrument->getSource()->getPos();
-    V3D beamDir = (sample - source);
-    V3D normBeamDir = beamDir / beamDir.norm();
-    V3D along = instrument->getReferenceFrame()->vecPointingAlongBeam();
-    V3D up = instrument->getReferenceFrame()->vecPointingUp();
-    double thetaIn = beamDir.angle(along);
-    double thetaFinal = 0;
-
-    const size_t nHistograms = in_ws->getNumberHistograms();
-    //Loop through all spectra
-    for(size_t index = 0; index < nHistograms; ++index)
-    {
-      V3D sink = in_ws->getDetector(index)->getPos();
-      V3D detectorDir = (sink - sample);
-      double distance = detectorDir.norm() + beamDir.norm();
-      V3D normalDetectorDir = detectorDir / detectorDir.norm();
-      thetaFinal = detectorDir.angle(along);
-
-      auto counts = in_ws->readY(index);
-      auto tofs = in_ws->readX(index);
-      auto errors = in_ws->readE(index);
-
-      size_t nTofs = in_ws->isHistogramData() ? (tofs.size() - 1) : tofs.size();
-
-      const double wavenumber_in_angstrom_times_tof_in_microsec =
-          (PhysicalConstants::NeutronMass * distance * 1e-10) / (1e-6 * PhysicalConstants::h_bar);
-
-      //Loop through all TOF
-      for(size_t tof = 0; tof < nTofs; ++tof)
-      {
-        //Calculate wave number
-        double t = tofs[tof];
-        if(in_ws->isHistogramData())
-        {
-          t = (t + tofs[tof+1])/2;
-        }
-        double wavenumber = wavenumber_in_angstrom_times_tof_in_microsec / t;
-
-        //ki - kf 
-        V3D QDir = (normBeamDir - normalDetectorDir);
-        double _qx = QDir.X() * wavenumber;
-        double _qz = QDir.Z() * wavenumber;
-
-        /// If q-max and min are known a-prori, these boundrary case truncations are not required. See top of method for comment.
-        _qx = _qx < qxmin ? qxmin : _qx;
-        _qz = _qz < qzmin ? qzmin : _qz;
-        _qx = _qx > qxmax ? qxmax : _qx;
-        _qz = _qz > qzmax ? qzmax : _qz;
-
-        //Set up for linear transformation qi -> dimension index.
-        double mx = (nbinsx / (qxmax - qxmin));
-        double mz = (nbinsz / (qzmax - qzmin));
-        double cx = (nbinsx - mx * (qxmin + qxmax))/2;
-        double cz = (nbinsz - mz * (qzmin + qzmax))/2;
-
-        double posIndexX = mx*_qx + cx;
-        double posIndexZ = mz*_qz + cz;
-
-        size_t linearindex = (posIndexX * nbinsx) + posIndexZ;
-
-        double error = errors[tof];
-
-        //Do we want to accumulate signal values, i.e will there be any overlap in Q?
-        ws->setSignalAt(linearindex, ws->getSignalAt(linearindex) + counts[tof]);
-        ws->setErrorSquaredAt(linearindex, error*error);
-      }
-    }
-
-    setProperty("OutputWorkspace", ws);
+    //Impelementation details still to workout here. May be best/possible to implement this algorithm in terms of other algorithms.
+    throw std::runtime_error("Not Yet Implemented.");
   }
 
 

diff --git a/Code/Mantid/Framework/MDEvents/test/ConvertToReflectometryQTest.h b/Code/Mantid/Framework/MDEvents/test/ConvertToReflectometryQTest.h
@@ -26,12 +26,12 @@ class ConvertToReflectometryQTest : public CxxTest::TestSuite
     in_ws->getAxis(0)->setUnit("TOF");
 
     ConvertToReflectometryQ alg;
+    alg.setRethrows(true);
     TS_ASSERT_THROWS_NOTHING( alg.initialize() )
     TS_ASSERT( alg.isInitialized() )
     TS_ASSERT_THROWS_NOTHING( alg.setProperty("InputWorkspace", in_ws) );
     TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("OutputWorkspace", outWSName) );
-    TS_ASSERT_THROWS_NOTHING( alg.execute(); );
-    TS_ASSERT( alg.isExecuted() );
+    TSM_ASSERT_THROWS("Not Implemented Yet", alg.execute(), std::runtime_error );
   }
 
 public:
@@ -49,42 +49,11 @@ class ConvertToReflectometryQTest : public CxxTest::TestSuite
     TS_ASSERT( alg.isInitialized() )
   }
 
-  void test_check_output_metadata()
+  void test_check_shouldnt_be_working()
   {
     std::string outWSName("ConvertToReflectometryQTest_OutputWS");
 
     doExecute(outWSName);
-
-    IMDHistoWorkspace_sptr ws;
-    TS_ASSERT_THROWS_NOTHING( ws = AnalysisDataService::Instance().retrieveWS<IMDHistoWorkspace>(outWSName) );
-    TS_ASSERT(ws);
-
-    //Quick metadata checks associated with the ouput workspace
-    TSM_ASSERT_EQUALS("Wrong number of bins", 100, ws->getNPoints());
-    TSM_ASSERT_EQUALS("Wrong number of dimensions", 2, ws->getNumDims());
-    TSM_ASSERT_EQUALS("Wrong dimension names", "Qx", ws->getDimension(0)->getName());
-    TSM_ASSERT_EQUALS("Wrong dimension names", "Qz", ws->getDimension(1)->getName());
-    TSM_ASSERT_EQUALS("Wrong units on qx", "(Ang^-1)", ws->getDimension(0)->getUnits());
-    TSM_ASSERT_EQUALS("Wrong units on qz", "(Ang^-1)", ws->getDimension(1)->getUnits());
-    TSM_ASSERT_EQUALS("Wrong number of bins in qx", 10, ws->getDimension(0)->getNBins());
-    TSM_ASSERT_EQUALS("Wrong number of bins in qy", 10, ws->getDimension(1)->getNBins());
-
-    AnalysisDataService::Instance().remove(outWSName);
-  }
-
-  void test_check_output_data()
-  {
-    std::string outWSName("ConvertToReflectometryQTest_OutputWS");
-
-    doExecute(outWSName);
-
-    IMDHistoWorkspace_sptr ws;
-    TS_ASSERT_THROWS_NOTHING( ws = AnalysisDataService::Instance().retrieveWS<IMDHistoWorkspace>(outWSName) );
-    TS_ASSERT(ws);
-
-    //Detailed checks associated with the output workspace.
-
-    AnalysisDataService::Instance().remove(outWSName);
   }
 
 };