Refs #3122: Methods for finding the centroid of a sphere. Algorithm started.

Code/Mantid/Framework/MDEvents/CMakeLists.txt

@@ -8,6 +8,7 @@ set ( SRC_FILES
 	src/IMDBox.cpp
 	src/MDBin.cpp
 	src/MDBox.cpp
+	src/MDCentroidPeaks.cpp
 	src/MDEWPeakIntegration.cpp
 	src/MDEventFactory.cpp
 	src/MDEventWorkspace.cpp
@@ -38,6 +39,7 @@ set ( INC_FILES
 	inc/MantidMDEvents/IMDBox.h
 	inc/MantidMDEvents/MDBin.h
 	inc/MantidMDEvents/MDBox.h
+	inc/MantidMDEvents/MDCentroidPeaks.h
 	inc/MantidMDEvents/MDDimensionExtents.h
 	inc/MantidMDEvents/MDDimensionStats.h
 	inc/MantidMDEvents/MDEWPeakIntegration.h
@@ -61,6 +63,7 @@ set ( TEST_FILES
 	test/IMDBoxTest.h
 	test/MDBinTest.h
 	test/MDBoxTest.h
+	test/MDCentroidPeaksTest.h
 	test/MDDimensionStatsTest.h
 	test/MDEWPeakIntegrationTest.h
 	test/MDEventFactoryTest.h

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

@@ -10,7 +10,11 @@
 #include "MantidMDEvents/MDEvent.h"
 #include <iosfwd>
 
-/// Define to compare performance when tracking the centroid of events when adding (if true) or only in RefreshCache (if false)
+/** Define to compare performance when tracking the centroid of events when adding (if true)
+ *  or only in RefreshCache (if false).
+ *  An additional difference is that the centroid saved in the IMDBox object
+ *  will be normalized by the total signal if false.
+ */
 #define MDBOX_TRACKCENTROID_WHENADDING 1
 
 namespace Mantid
@@ -89,6 +93,9 @@ namespace MDEvents
     /** Sphere (peak) integration */
     virtual void integrateSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, signal_t & signal, signal_t & errorSquared) const = 0;
 
+    /** Find the centroid around a sphere */
+    virtual void centroidSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, coord_t * centroid, signal_t & signal) const = 0;
+
     // -------------------------------------------------------------------------------------------
     /** Split sub-boxes, if this is possible and neede for this box */
     virtual void splitAllIfNeeded(Mantid::Kernel::ThreadScheduler * /*ts*/ = NULL)

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

@@ -68,6 +68,8 @@ namespace MDEvents
 
     void integrateSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, signal_t & signal, signal_t & errorSquared) const;
 
+    void centroidSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, coord_t * centroid, signal_t & signal) const;
+
     void refreshCache(Kernel::ThreadScheduler * /*ts*/ = NULL);
 
   protected:

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

+#ifndef MANTID_MDEVENTS_MDCENTROIDPEAKS_H_
+#define MANTID_MDEVENTS_MDCENTROIDPEAKS_H_
+    
+#include "MantidKernel/System.h"
+#include "MantidAPI/Algorithm.h" 
+
+namespace Mantid
+{
+namespace MDEvents
+{
+
+  /** Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions.
+   * 
+   * @author Janik Zikovsky
+   * @date 2011-06-01
+   */
+  class DLLExport MDCentroidPeaks  : public API::Algorithm
+  {
+  public:
+    MDCentroidPeaks();
+    ~MDCentroidPeaks();
+    
+    /// Algorithm's name for identification 
+    virtual const std::string name() const { return "MDCentroidPeaks";};
+    /// Algorithm's version for identification 
+    virtual int version() const { return 1;};
+    /// Algorithm's category for identification
+    virtual const std::string category() const { return "General";}
+    
+  private:
+    /// Sets documentation strings for this algorithm
+    virtual void initDocs();
+    /// Initialise the properties
+    void init();
+    /// Run the algorithm
+    void exec();
+
+
+  };
+
+
+} // namespace Mantid
+} // namespace MDEvents
+
+#endif  /* MANTID_MDEVENTS_MDCENTROIDPEAKS_H_ */

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

@@ -56,12 +56,15 @@ namespace MDEvents
 
     void integrateSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, signal_t & signal, signal_t & errorSquared) const;
 
+    void centroidSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, coord_t * centroid, signal_t & signal) const;
+
     void splitContents(size_t index, Kernel::ThreadScheduler * ts = NULL);
 
     void splitAllIfNeeded(Kernel::ThreadScheduler * ts = NULL);
 
     void refreshCache(Kernel::ThreadScheduler * ts = NULL);
 
+
     // ======================= Testing/Debugging Methods =================
     /** For testing: get 9a copy of) the vector of boxes */
     std::vector<IMDBox<MDE, nd>*> getBoxes()

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

@@ -53,6 +53,9 @@ namespace MDEvents
     void integrateSphere(CoordTransform & /*radiusTransform*/, const coord_t /*radiusSquared*/, signal_t & /*signal*/, signal_t & /*errorSquared*/) const
     { throw std::runtime_error("Not implemented."); }
 
+    void centroidSphere(CoordTransform & , const coord_t , coord_t * , signal_t & ) const
+    { throw std::runtime_error("Not implemented."); }
+
     // --------------------------------------------------------------------------------------------
 
     /// Return which dimension (index) was split

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

@@ -278,6 +278,36 @@ namespace MDEvents
     }
   }
 
+  /** Find the centroid of all events contained within by doing a weighted average
+   * of their coordinates.
+   *
+   * @param radiusTransform :: nd-to-1 coordinate transformation that converts from these
+   *        dimensions to the distance (squared) from the center of the sphere.
+   * @param radiusSquared :: radius^2 below which to integrate
+   * @param[out] centroid :: array of size [nd]; its centroid will be added
+   * @param[out] signal :: set to the integrated signal
+   */
+  TMDE(
+  void MDBox)::centroidSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, coord_t * centroid, signal_t & signal) const
+  {
+    typename std::vector<MDE>::const_iterator it = data.begin();
+    typename std::vector<MDE>::const_iterator it_end = data.end();
+
+    // For each MDEvent
+    for (; it != it_end; ++it)
+    {
+      coord_t out[nd];
+      radiusTransform.apply(it->getCenter(), out);
+      if (out[0] < radiusSquared)
+      {
+        double eventSignal = it->getSignal();
+        signal += eventSignal;
+        for (size_t d=0; d<nd; d++)
+          centroid[d] += it->getCenter(d) * eventSignal;
+      }
+    }
+  }
+
 
 }//namespace MDEvents
 

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

+#include "MantidMDEvents/MDCentroidPeaks.h"
+#include "MantidKernel/System.h"
+
+namespace Mantid
+{
+namespace MDEvents
+{
+
+  // Register the algorithm into the AlgorithmFactory
+  DECLARE_ALGORITHM(MDCentroidPeaks)
+  
+  using namespace Mantid::Kernel;
+  using namespace Mantid::API;
+
+
+  //----------------------------------------------------------------------------------------------
+  /** Constructor
+   */
+  MDCentroidPeaks::MDCentroidPeaks()
+  {
+  }
+    
+  //----------------------------------------------------------------------------------------------
+  /** Destructor
+   */
+  MDCentroidPeaks::~MDCentroidPeaks()
+  {
+  }
+  
+
+  //----------------------------------------------------------------------------------------------
+  /// Sets documentation strings for this algorithm
+  void MDCentroidPeaks::initDocs()
+  {
+    this->setWikiSummary("Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions.");
+    this->setOptionalMessage("Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions.");
+    this->setWikiDescription(
+        "This algorithm starts with a PeaksWorkspace containing the expected positions of peaks in reciprocal space. "
+        "It calculates the centroid of the peak by calculating the average of the coordinates of all events within a given "
+        "radius of the peak, weighted by the weight (signal) of the event."
+        "\n\n"
+        "To speed up the calculation, the centroid of the boxes contained within the radius is used (rather than going "
+        "through all individual events)."
+        );
+  }
+
+  //----------------------------------------------------------------------------------------------
+  /** Initialize the algorithm's properties.
+   */
+  void MDCentroidPeaks::init()
+  {
+    declareProperty(new WorkspaceProperty<>("InputWorkspace","",Direction::Input), "An input workspace.");
+    declareProperty(new WorkspaceProperty<>("OutputWorkspace","",Direction::Output), "An output workspace.");
+  }
+
+  //----------------------------------------------------------------------------------------------
+  /** Execute the algorithm.
+   */
+  void MDCentroidPeaks::exec()
+  {
+    // TODO Auto-generated execute stub
+  }
+
+
+
+} // namespace Mantid
+} // namespace MDEvents
+

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

@@ -609,8 +609,6 @@ namespace MDEvents
       {
         // There is a chance that this part of the box is within integration volume,
         // even if no vertex of it is.
-
-        IMDBox<MDE, nd> * box = boxes[i];
         coord_t boxCenter[nd];
         box->getCenter(boxCenter);
 
@@ -654,6 +652,43 @@ namespace MDEvents
   }
 
 
+  //-----------------------------------------------------------------------------------------------
+  /** Find the centroid of all events contained within by doing a weighted average
+   * of their coordinates.
+   *
+   * @param radiusTransform :: nd-to-1 coordinate transformation that converts from these
+   *        dimensions to the distance (squared) from the center of the sphere.
+   * @param radiusSquared :: radius^2 below which to integrate
+   * @param[out] centroid :: array of size [nd]; its centroid will be added
+   * @param[out] signal :: set to the integrated signal
+   */
+  TMDE(
+  void MDGridBox)::centroidSphere(CoordTransform & radiusTransform, const coord_t radiusSquared, coord_t * centroid, signal_t & signal) const
+  {
+    for (size_t i=0; i < numBoxes; ++i)
+    {
+      // Go through each contained box
+      IMDBox<MDE, nd> * box = boxes[i];
+      coord_t boxCenter[nd];
+      box->getCenter(boxCenter);
+
+      // Distance from center to the peak integration center
+      coord_t out[nd];
+      radiusTransform.apply(boxCenter, out);
+
+      if (out[0] < diagonalSquared*0.72 + radiusSquared)
+      {
+        // If the center is closer than the size of the box, then it MIGHT be touching.
+        // (We multiply by 0.72 (about sqrt(2)) to look for half the diagonal).
+        // NOTE! Watch out for non-spherical transforms!
+
+        // Go down one level to keep centroiding
+        box->centroidSphere(radiusTransform, radiusSquared, centroid, signal);
+      }
+    } // (for each box)
+  }
+
+
 }//namespace MDEvents
 
 }//namespace Mantid

Code/Mantid/Framework/MDEvents/test/IMDBoxTest.h

@@ -54,6 +54,7 @@ class IMDBoxTester : public IMDBox<MDE,nd>
   {}
 
   virtual void integrateSphere(CoordTransform & /*radiusTransform*/, const coord_t /*radiusSquared*/, signal_t & /*signal*/, signal_t & /*errorSquared*/) const {};
+  virtual void centroidSphere(CoordTransform & /*radiusTransform*/, const coord_t /*radiusSquared*/, coord_t *, signal_t & ) const {};
 
 };
 

Code/Mantid/Framework/MDEvents/test/MDBoxTest.h

@@ -312,6 +312,52 @@ public:
   }
 
 
+  void test_centroidSphere()
+  {
+    MDBox<MDEvent<2>,2> b;
+
+    MDEvent<2> ev(2.0, 2.0);
+    ev.setCenter(0, 2.0);
+    ev.setCenter(1, 3.0);
+    b.addEvent(ev);
+
+    MDEvent<2> ev2(4.0, 4.0);
+    ev2.setCenter(0, 4.0);
+    ev2.setCenter(1, 4.0);
+    b.addEvent(ev2);
+
+
+    // The sphere transformation
+    bool dimensionsUsed[2] = {true,true};
+    coord_t center[2] = {0,0};
+    CoordTransformDistance sphere(2, center, dimensionsUsed);
+
+    // Set up the data for the centroid
+    coord_t centroid[2] = {0,0};
+    double signal = 0.0;
+    b.centroidSphere(sphere, 400., centroid, signal);
+    for (size_t d=0; d<2; d++)
+      centroid[d] /= signal;
+
+    // This should be the weighted centroid
+    TS_ASSERT_DELTA( signal, 6.000, 0.001);
+    TS_ASSERT_DELTA( centroid[0], 3.333, 0.001);
+    TS_ASSERT_DELTA( centroid[1], 3.666, 0.001);
+
+    // --- Reset and reduce the radius ------
+    signal = 0;
+    for (size_t d=0; d<2; d++)
+      centroid[d] = 0.0;
+    b.centroidSphere(sphere, 16., centroid, signal);
+    for (size_t d=0; d<2; d++)
+      centroid[d] /= signal;
+    // Only one event was contained
+    TS_ASSERT_DELTA( signal, 2.000, 0.001);
+    TS_ASSERT_DELTA( centroid[0], 2.000, 0.001);
+    TS_ASSERT_DELTA( centroid[1], 3.000, 0.001);
+
+  }
+
 };
 
 

Code/Mantid/Framework/MDEvents/test/MDCentroidPeaksTest.h

+#ifndef MANTID_MDEVENTS_MDCENTROIDPEAKSTEST_H_
+#define MANTID_MDEVENTS_MDCENTROIDPEAKSTEST_H_
+
+#include <cxxtest/TestSuite.h>
+#include "MantidKernel/Timer.h"
+#include "MantidKernel/System.h"
+#include <iostream>
+#include <iomanip>
+
+#include "MantidMDEvents/MDCentroidPeaks.h"
+
+using namespace Mantid::MDEvents;
+using namespace Mantid::API;
+
+class MDCentroidPeaksTest : public CxxTest::TestSuite
+{
+public:
+
+    
+  void test_Init()
+  {
+    MDCentroidPeaks alg;
+    TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+    TS_ASSERT( alg.isInitialized() )
+  }
+  
+  void xtest_exec()
+  {
+    // Name of the output workspace.
+    std::string outWSName("MDCentroidPeaksTest_OutputWS");
+  
+    MDCentroidPeaks alg;
+    TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+    TS_ASSERT( alg.isInitialized() )
+    TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("REPLACE_PROPERTY_NAME_HERE!!!!", "value") );
+    TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("OutputWorkspace", outWSName) );
+    TS_ASSERT_THROWS_NOTHING( alg.execute(); );
+    TS_ASSERT( alg.isExecuted() );
+    
+    // Retrieve the workspace from data service. TODO: Change to your desired type
+    Workspace_sptr ws;
+    TS_ASSERT_THROWS_NOTHING( ws = boost::dynamic_pointer_cast<Workspace>(AnalysisDataService::Instance().retrieve(outWSName)) );
+    TS_ASSERT(ws);
+    if (!ws) return;
+    
+    // TODO: Check the results
+    
+    // Remove workspace from the data service.
+    AnalysisDataService::Instance().remove(outWSName);
+  }
+  
+};
+
+
+#endif /* MANTID_MDEVENTS_MDCENTROIDPEAKSTEST_H_ */
+

Code/Mantid/Framework/MDEvents/test/MDGridBoxTest.h

@@ -848,7 +848,7 @@ public:
     do_check_integrateSphere(box, 4.51,4.5, 0.001, 0.0, "Tiny but off the event.");
     do_check_integrateSphere(box, 2.0,2.0,  0.49,  0.0, "At a corner but grabbing nothing");
     do_check_integrateSphere(box, 4.8,4.5,  0.35,  1.0, "Too small to contain any vertices");
-    do_check_integrateSphere(box, 5.0,5.0,  1.0,   4.0, "Contains a box completely");
+    do_check_integrateSphere(box, 5.0,5.0,  1.0,   4.0, "At a corner, containing 4 neighbors");
     do_check_integrateSphere(box, 4.5,4.5,  0.9,   1.0, "Contains one box completely");
     do_check_integrateSphere(box, 0.5,0.5,  0.9,   1.0, "Contains one box completely, at the edges");
     do_check_integrateSphere(box, 9.5,0.5,  0.9,   1.0, "Contains one box completely, at the edges");
@@ -953,6 +953,76 @@ public:
   }
 
 
+
+
+
+  //------------------------------------------------------------------------------------------------
+  /** For test_integrateSphere
+   *
+   * @param box
+   * @param radius :: radius to integrate
+   * @param xExpected :: expected centroid
+   * @param yExpected :: expected centroid
+   */
+  void do_check_centroidSphere(MDGridBox<MDEvent<2>,2> & box, coord_t x, coord_t y,
+      const coord_t radius,
+      double numExpected, coord_t xExpected, coord_t yExpected,
+      std::string message)
+  {
+    std::cout << "Centroid of sphere of radius " << radius << " at " << x << "," << y << "------" << message << "--\n";
+    // The sphere transformation
+    bool dimensionsUsed[2] = {true,true};
+    coord_t center[2] = {x,y};
+    CoordTransformDistance sphere(2, center, dimensionsUsed);
+
+    double signal = 0;
+    coord_t centroid[2] = {0., 0.};
+    box.centroidSphere(sphere, radius*radius, centroid, signal);
+    // Normalized
+    if (signal != 0.0)
+    {
+      for (size_t d=0; d<2; d++)
+        centroid[d] /= signal;
+    }
+
+    TSM_ASSERT_DELTA( message, signal, 1.0*numExpected, 1e-5);
+    TSM_ASSERT_DELTA( message, centroid[0], xExpected, 1e-5);
+    TSM_ASSERT_DELTA( message, centroid[1], yExpected, 1e-5);
+  }
+
+  /** Re-used suite of tests */
+  void test_centroidSphere()
+  {
+    // 10x10 sized box
+    MDGridBox<MDEvent<2>,2> * box_ptr = makeMDGridBox<2>();
+    feedMDBox<2>(box_ptr, 1);
+    // Events are at 0.5, 1.5, etc.
+    MDGridBox<MDEvent<2>,2> & box = *box_ptr;
+    TS_ASSERT_EQUALS( box.getNPoints(), 10*10);
+
+    do_check_centroidSphere(box, 4.5,4.5,  0.5,   1.0, 4.5, 4.5, "Too small to contain any vertices");
+    do_check_centroidSphere(box, 4.5, 4.5, 0.001, 1.0, 4.5, 4.5, "Tiny but still has an event.");
+    do_check_centroidSphere(box, 4.51,4.5, 0.001, 0.0, 0.0, 0.0, "Tiny but off the event.");
+    do_check_centroidSphere(box, 2.0,2.0,  0.49,  0.0, 0.0, 0.0, "At a corner but grabbing nothing");
+    do_check_centroidSphere(box, 4.8,4.5,  0.35,  1.0, 4.5, 4.5, "Too small to contain any vertices");
+    do_check_centroidSphere(box, 5.0,5.0,  1.0,   4.0, 5.0, 5.0, "At a corner, containing 4 neighbors");
+    do_check_centroidSphere(box, 4.5,4.5,  0.9,   1.0, 4.5, 4.5, "Contains one box completely");
+    do_check_centroidSphere(box, 0.5,0.5,  0.9,   1.0, 0.5, 0.5, "Contains one box completely, at the edges");
+    do_check_centroidSphere(box, 9.5,0.5,  0.9,   1.0, 9.5, 0.5, "Contains one box completely, at the edges");
+    do_check_centroidSphere(box, 0.5,9.5,  0.9,   1.0, 0.5, 9.5, "Contains one box completely, at the edges");
+    do_check_centroidSphere(box, 4.5,9.5,  0.9,   1.0, 4.5, 9.5, "Contains one box completely, at the edges");
+    do_check_centroidSphere(box, 9.5,9.5,  0.9,   1.0, 9.5, 9.5, "Contains one box completely, at the edges");
+    do_check_centroidSphere(box, 1.5,1.5,  1.95,  9.0, 1.5, 1.5, "Contains 5 boxes completely, and 4 boxes with a point");
+    do_check_centroidSphere(box, -1.0,0.5, 1.55,  1.0, 0.5, 0.5, "Off an edge but enough to get an event");
+
+    // Now I add an event very near an edge
+    coord_t center[2] = {0.001, 0.5};
+    box.addEvent(MDEvent<2>(1.0, 1.0, center));
+    do_check_integrateSphere(box, -1.0,0.5, 1.01,  1.0, "Off an edge but just barely enough to get an event");
+    do_check_integrateSphere(box, 0.0,0.5, 0.01,  1.0, "Tiny, but just barely enough to get an event");
+  }
+
+
 private:
   std::string message;
 };
@@ -968,14 +1038,18 @@ class MDGridBoxTestPerformance : public CxxTest::TestSuite
 {
 public:
 
+  // This pair of boilerplate methods prevent the suite being created statically
+  // This means the constructor isn't called when running other tests
+  static MDGridBoxTestPerformance *createSuite() { return new MDGridBoxTestPerformance(); }
+  static void destroySuite( MDGridBoxTestPerformance *suite ) { delete suite; }
+
   MDGridBox<MDEvent<3>,3> * box3;
   MDGridBox<MDEvent<3>,3> * box3b;
   std::vector<MDEvent<3> > events;
 
-  void setUp()
+  MDGridBoxTestPerformance()
   {
     // Split 5x5x5, 2 deep.
-    box3 = MDGridBoxTest::makeRecursiveMDGridBox<3>(5,1);
     box3b = MDGridBoxTest::makeRecursiveMDGridBox<3>(5,1);
 
     // Make the list of fake events, random dist.
@@ -998,10 +1072,20 @@ public:
     box3b->refreshCache();
   }
 
+  ~MDGridBoxTestPerformance()
+  {
+    delete box3b;
+  }
+
+  void setUp()
+  {
+    // Make a fresh box.
+    box3 = MDGridBoxTest::makeRecursiveMDGridBox<3>(5,1);
+  }
+
   void tearDown()
   {
     delete box3;
-    delete box3b;
   }
 
 
@@ -1026,70 +1110,118 @@ public:
     }
   }
 
-  /** Smallish sphere in the middle goes partially through lots of boxes */
-  void test_sphereIntegrate_inTheMiddle()
+  //-----------------------------------------------------------------------------
+  /** Do a sphere integration
+   *
+   * @param center :: coordinate of the center
+   * @param radius :: radius
+   */
+  void do_test_sphereIntegrate(coord_t * center, coord_t radius, double expectSignal, double tol)
   {
     // The sphere transformation
     bool dimensionsUsed[3] = {true,true,true};
-    coord_t center[3] = {2.5, 2.5, 2.5};
     CoordTransformDistance sphere(3, center, dimensionsUsed);
 
+    // Repeat the integration a lot
     double signal, errorSquared;
-
     for (size_t i=0; i < 1000; i++)
     {
       signal = 0;
       errorSquared = 0;
-      box3b->integrateSphere(sphere, 1.0, signal, errorSquared);
+      box3b->integrateSphere(sphere, radius*radius, signal, errorSquared);
     }
 
-    // The expected number of events, given a sphere of radius 1.0
-    TS_ASSERT_DELTA(signal, (1e6/125)*(4.0*3.14159/3.0), 2000);
+    TS_ASSERT_DELTA(signal, expectSignal, tol);
     TS_ASSERT_DELTA(signal, errorSquared, 1e-3);
   }
 
+  /** Smallish sphere in the middle goes partially through lots of boxes */
+  void test_sphereIntegrate_inTheMiddle()
+  {
+    coord_t center[3] = {2.5, 2.5, 2.5};
+    do_test_sphereIntegrate(center, 1.0, (1e6/125)*(4.0*3.14159/3.0), 2000.0);
+  }
+
   /** Huge sphere containing all within */
   void test_sphereIntegrate_inTheMiddle_largeSphere()
   {
-    // The sphere transformation
-    bool dimensionsUsed[3] = {true,true,true};
     coord_t center[3] = {2.5, 2.5, 2.5};
-    CoordTransformDistance sphere(3, center, dimensionsUsed);
-
-    double signal, errorSquared;
-
-    for (size_t i=0; i < 1000; i++)
-    {
-      signal = 0;