Refs #10541 fix intensity sum and zero at profile edge

mantidproject · Nov 13, 2014 · 25018a3 · 25018a3
1 parent 4caeae0
commit 25018a3
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Showing 3 changed files with 10 additions and 10 deletions.
diff --git a/Code/Mantid/Framework/MDAlgorithms/src/IntegratePeaksMD2.cpp b/Code/Mantid/Framework/MDAlgorithms/src/IntegratePeaksMD2.cpp
@@ -434,11 +434,15 @@ namespace MDAlgorithms
 
       if (profileFunction.compare("NoFit") == 0)
       {
+        signal = 0.;
         for (size_t j = 0; j < numSteps; j++)
         {
             if (j < peakMin || j > peakMax)
               background_total = background_total + wsProfile2D->dataY(i)[j];
+            else
+              signal = signal + wsProfile2D->dataY(i)[j];
          }
+        errorSquared = std::fabs(signal);
       }
       else
       {
@@ -522,7 +526,7 @@ namespace MDAlgorithms
         signal = 0.0;
         if (integrationOption.compare("Sum") == 0)
         {
-          for (size_t j = 0; j < numSteps; j++) if ( !boost::math::isnan(yy[j]) && !boost::math::isinf(yy[j]))signal+= yy[j];
+          for (size_t j = peakMin; j <= peakMax; j++) if ( !boost::math::isnan(yy[j]) && !boost::math::isinf(yy[j]))signal+= yy[j];
         }
         else
         {
@@ -535,7 +539,7 @@ namespace MDAlgorithms
           F.function = &Mantid::MDAlgorithms::f_eval2;
           F.params = &fun;
 
-          gsl_integration_qags (&F, x[0], x[numSteps-1], 0, 1e-7, 1000,
+          gsl_integration_qags (&F, x[peakMin], x[peakMax], 0, 1e-7, 1000,
                      w, &signal, &error);
 
           gsl_integration_workspace_free (w);

diff --git a/Code/Mantid/Framework/MDEvents/src/MDBox.cpp b/Code/Mantid/Framework/MDEvents/src/MDBox.cpp
@@ -4,6 +4,7 @@
 #include "MantidMDEvents/MDLeanEvent.h"
 #include "MantidKernel/DiskBuffer.h"
 #include "MantidMDEvents/MDGridBox.h"
+#include <boost/math/special_functions/round.hpp>
 #include <cmath>
 
 using namespace Mantid::API;
@@ -644,9 +645,7 @@ namespace MDEvents
       if (out[0] < radius && std::fabs(out[1]) < 0.5*length)
       {
         // add event to appropriate y channel
-    size_t xchannel;
-    if (out[1] < 0) xchannel = static_cast<int>(out[1] / deltaQ - 0.5) + static_cast<int>(numSteps / 2)-1;
-    else xchannel = static_cast<int>(out[1] / deltaQ + 0.5) + static_cast<int>(numSteps / 2)-1;
+        size_t xchannel = static_cast<size_t>(std::floor(out[1] / deltaQ)) + numSteps / 2;
         if (xchannel < numSteps ) signal_fit[xchannel] += static_cast<signal_t>(it->getSignal());
 
         signal += static_cast<signal_t>(it->getSignal());

diff --git a/Code/Mantid/Framework/MDEvents/src/MDGridBox.cpp b/Code/Mantid/Framework/MDEvents/src/MDGridBox.cpp
@@ -9,6 +9,7 @@
 #include "MantidMDEvents/MDBox.h"
 #include "MantidMDEvents/MDEvent.h"
 #include "MantidMDEvents/MDGridBox.h"
+#include <boost/math/special_functions/round.hpp>
 #include <ostream>
 #include "MantidKernel/Strings.h"
 
@@ -1436,11 +1437,7 @@ GCC_DIAG_OFF(array-bounds)
             coord_t out[nd];
             radiusTransform.apply(eventCenter, out);
             // add event to appropriate y channel
-            size_t xchannel;
-            if (out[1] < 0)
-              xchannel = static_cast<int>(out[1] / deltaQ - 0.5) + static_cast<int>(numSteps / 2)-1;
-            else
-              xchannel = static_cast<int>(out[1] / deltaQ + 0.5) + static_cast<int>(numSteps / 2)-1;
+            size_t xchannel = static_cast<size_t>(std::floor(out[1] / deltaQ)) + numSteps / 2;
 
             if (xchannel < numSteps )
               signal_fit[xchannel] += coordTable[k*nColumns];