refs #7261. Fix edge case.

Code/Mantid/Framework/Crystal/src/PeaksInRegion.cpp

@@ -120,7 +120,7 @@ namespace Crystal
     setPropertySettings("PeakRadius", new EnabledWhenProperty("CheckPeakExtents", IS_NOT_DEFAULT) );
   }
 
-  void validateExtentsInput(std::vector<double>& extents)
+  void validateExtentsInput(const std::vector<double>& extents)
   {
     if(extents.size() != 6)
     {
@@ -140,6 +140,28 @@ namespace Crystal
     }
   }
 
+  bool pointOutsideAnyExtents(const V3D& testPoint, const std::vector<double>& extents)
+  {
+    return testPoint[0] < extents[0] || testPoint[0] > extents[1]
+      || testPoint[1] < extents[2] || testPoint[1] > extents[3] 
+      || testPoint[2] < extents[4] || testPoint[2] > extents[5];
+  }
+
+  bool pointInsideAllExtents(const V3D& testPoint, const std::vector<double>& extents)
+  {
+    return testPoint[0] >= extents[0] && testPoint[0] <= extents[1]
+      && testPoint[1] >= extents[2] && testPoint[1] <= extents[3] 
+      && testPoint[2]>= extents[4] && testPoint[2] <= extents[5];
+  }
+
+  void checkTouchPoint(const V3D& touchPoint,const  V3D& normal,const  V3D& peakCenter,const  V3D& faceVertex, const double distance)
+  {
+     if( normal.scalar_prod(touchPoint - faceVertex) != 0)
+     {
+       throw std::runtime_error("Debugging. Calculation is wrong. touch point should always be on the plane!"); // Remove this line later. Check that geometry is setup properly.
+     }
+  }
+
   //----------------------------------------------------------------------------------------------
   /** Execute the algorithm.
    */
@@ -217,8 +239,8 @@ namespace Crystal
       normals[i].normalize();
     }
 
-
-     Progress prog(this, 0, nPeaks, nPeaks);
+    const int reportEveryNumber = 100;
+    Progress prog(this, 0, nPeaks/reportEveryNumber, nPeaks/reportEveryNumber);
 
      PARALLEL_FOR2(ws, outputWorkspace)
       for(int i = 0; i < nPeaks; ++i)
@@ -227,15 +249,12 @@ namespace Crystal
       IPeak* peak =  ws->getPeakPtr(i);
       V3D peakCenter = coordFrameFunc(peak);
 
-      if(i%100 == 0)
-        prog.doReport();
+      if(i%reportEveryNumber == 0)
+        prog.report();
 
       bool doesIntersect = true;
-      if (peakCenter[0] < extents[0] || peakCenter[0] >= extents[1]
-      || peakCenter[1] < extents[2] || peakCenter[1] >= extents[3] 
-      || peakCenter[2] < extents[4] || peakCenter[2] >= extents[5]) 
+      if (pointOutsideAnyExtents(peakCenter, extents))
       {
-
         // Out of bounds.
         doesIntersect = false;
 
@@ -244,11 +263,19 @@ namespace Crystal
           // Take account of radius spherical extents.
           for(int i = 0; i < 6; ++i)
           {
-            double distance = normals[i].scalar_prod(peakCenter - faces[i][0]); // Distance between plane and peak center.
-            if(peakRadius >= std::abs(distance)) // Sphere passes through one of the faces, so intersects the box.
+            double distance = normals[i].scalar_prod(faces[i][0] - peakCenter); // Distance between plane and peak center.
+            if(peakRadius >= std::abs(distance)) // Sphere passes through one of the PLANES defined by the box faces.
             {
-              doesIntersect = true;
-              break;
+              // Check that it is actually within the face boundaries.
+              V3D touchPoint = (normals[i] * distance) + peakCenter; // Vector equation of line give touch point on plane.
+
+              //checkTouchPoint(touchPoint, normals[i], peakCenter, faces[i][0], distance); // Debugging line.
+
+              if(pointInsideAllExtents(touchPoint, extents))
+              {
+                doesIntersect = true;
+                break;
+              }
             }
           }
         }

Code/Mantid/Framework/Crystal/test/PeaksInRegionTest.h

@@ -340,7 +340,7 @@ class PeaksInRegionTest : public CxxTest::TestSuite
     PeaksWorkspace_sptr ws = WorkspaceCreationHelper::createPeaksWorkspace(1);
     auto detectorIds = ws->getInstrument()->getDetectorIDs();
     Peak& peak = ws->getPeak(0);
-    peak.setHKL(Mantid::Kernel::V3D(0, 0, 2)); // This point is actually on the y = 0 plane, i.e. satisfies the plane equation. aX + bY + cZ = 0, but is outside the box.
+    peak.setHKL(Mantid::Kernel::V3D(2, 0, 0)); // This point is actually on the y = 0 plane, i.e. satisfies the plane equation. aX + bY + cZ = 0, but is outside the box.
 
     const std::string outName = "OutWS";