Refs #5021 performance improvements in ConvertToDiffractionMDWorkspace

also fix for TestViewer

Code/Mantid/Framework/DataObjects/src/EventList.cpp

@@ -171,6 +171,8 @@ namespace DataObjects
     this->copyInfoFrom( *inSpec );
     // We need weights but have no way to set the time. So use weighted, no time
     this->switchTo(WEIGHTED_NOTIME);
+    if (GenerateZeros)
+      this->weightedEventsNoTime.reserve(Y.size());
 
     for (size_t i=0; i<X.size()-1; i++)
     {
@@ -205,7 +207,8 @@ namespace DataObjects
             {
               double tof = X[i] + tofStep * (0.5 + double(j));
               // Create and add the event
-              this->addEventQuickly( WeightedEventNoTime(tof, weight, errorSquared) );
+              // TODO: try emplace_back() here.
+              weightedEventsNoTime.push_back( WeightedEventNoTime(tof, weight, errorSquared) );
             }
           }
           else
@@ -217,7 +220,7 @@ namespace DataObjects
             double errorSquared = E[i];
             errorSquared *= errorSquared;
             // Create and add the event
-            this->addEventQuickly( WeightedEventNoTime(tof, weight, errorSquared) );
+            weightedEventsNoTime.push_back( WeightedEventNoTime(tof, weight, errorSquared) );
           }
         } // error is nont NAN or infinite
       } // weight is non-zero, not NAN, and non-infinite

Code/Mantid/Framework/MDEvents/inc/MantidMDEvents/ConvertToDiffractionMDWorkspace.h

@@ -85,6 +85,11 @@ namespace MDEvents
     /// Matrix. Multiply this by the lab frame Qx, Qy, Qz to get the desired Q or HKL.
     Kernel::Matrix<double> mat;
 
+    /// Minimum extents of the workspace. Cached for speed
+    coord_t * m_extentsMin;
+    /// Maximum extents of the workspace. Cached for speed
+    coord_t * m_extentsMax;
+
 
   };
 

Code/Mantid/Framework/MDEvents/src/ConvertToDiffractionMDWorkspace.cpp

@@ -210,15 +210,12 @@ namespace MDEvents
   void ConvertToDiffractionMDWorkspace::convertEventList(int workspaceIndex, EventList & el)
   {
     size_t numEvents = el.getNumberEvents();
+    IMDBox<MDLeanEvent<3>,3> * box = ws->getBox();
 
     // Get the position of the detector there.
     const std::set<detid_t>& detectors = el.getDetectorIDs();
     if (detectors.size() > 0)
     {
-      // The 3D MDEvents that will be added into the MDEventWorkspce
-      std::vector<MDE> out_events;
-      out_events.reserve( el.getNumberEvents() );
-
       // Get the detector (might be a detectorGroup for multiple detectors)
       // or might return an exception if the detector is not in the instrument definition
       IDetector_const_sptr det;
@@ -290,18 +287,23 @@ namespace MDEvents
         // Q vector = K_final - K_initial = wavenumber * (output_direction - input_direction)
         coord_t center[3] = {Q_dir_x * wavenumber, Q_dir_y * wavenumber, Q_dir_z * wavenumber};
 
+        // Check that the event is within bounds
+        if (center[0] < m_extentsMin[0] || center[0] >= m_extentsMax[0]) continue;
+        if (center[1] < m_extentsMin[1] || center[1] >= m_extentsMax[1]) continue;
+        if (center[2] < m_extentsMin[2] || center[2] >= m_extentsMax[2]) continue;
+
         if (LorentzCorrection)
         {
           //double lambda = 1.0/wavenumber;
           // (sin(theta))^2 / wavelength^4
           float correct = float( sin_theta_squared * wavenumber*wavenumber*wavenumber*wavenumber );
           // Push the MDLeanEvent but correct the weight.
-          out_events.push_back( MDE(float(it->weight()*correct), float(it->errorSquared()*correct*correct), center) );
+          box->addEvent( MDE(float(it->weight()*correct), float(it->errorSquared()*correct*correct), center) );
         }
         else
         {
           // Push the MDLeanEvent with the same weight
-          out_events.push_back( MDE(float(it->weight()), float(it->errorSquared()), center) );
+          box->addEvent( MDE(float(it->weight()), float(it->errorSquared()), center) );
         }
       }
 
@@ -315,9 +317,6 @@ namespace MDEvents
         // For Linux with tcmalloc, make sure memory goes back, if you've cleared 200 Megs
         MemoryManager::Instance().releaseFreeMemoryIfAccumulated(memoryCleared, (size_t)2e8);
       }
-
-      // Add them to the MDEW
-      ws->addEvents(out_events);
     }
     prog->reportIncrement(numEvents, "Adding Events");
   }
@@ -463,6 +462,15 @@ namespace MDEvents
     if (!bc)
       throw std::runtime_error("Output MDEventWorkspace does not have a BoxController!");
 
+    // Cache the extents for speed.
+    m_extentsMin = new coord_t[3];
+    m_extentsMax = new coord_t[3];
+    for (size_t d=0; d<3; d++)
+    {
+      m_extentsMin[d] = ws->getDimension(d)->getMinimum();
+      m_extentsMax[d] = ws->getDimension(d)->getMaximum();
+    }
+
     // Copy ExperimentInfo (instrument, run, sample) to the output WS
     ExperimentInfo_sptr ei(m_inWS->cloneExperimentInfo());
     uint16_t runIndex = ws->addExperimentInfo(ei);
@@ -583,6 +591,10 @@ namespace MDEvents
 
     // Save the output
     setProperty("OutputWorkspace", boost::dynamic_pointer_cast<IMDEventWorkspace>(ws));
+
+    // Clean up
+    delete [] m_extentsMin;
+    delete [] m_extentsMax;
   }
 
 

Code/Mantid/Framework/MDEvents/src/IMDBox.cpp

@@ -105,7 +105,7 @@ namespace MDEvents
       bool badEvent = false;
       for (size_t d=0; d<nd; d++)
       {
-        double x = it->getCenter(d);
+        coord_t x = it->getCenter(d);
         if ((x < this->extents[d].min) || (x >= this->extents[d].max))
         {
           badEvent = true;

Code/Tools/TestViewer/main_window.py

@@ -638,7 +638,7 @@ def start():
     if len(sys.argv) > 1: bin_folder = sys.argv[1]
 
     source_folder = ""
-    if len(sys.argv) > 2: source_folder = sys.argv[1]
+    if len(sys.argv) > 2: source_folder = sys.argv[2]
 
     if bin_folder == "--help":
         print """TestViewer.py [BINFOLDER] [SOURCEFOLDER]