AddPeak() will not add peak out of data range. Refs #7847.

mantidproject · Sep 10, 2013 · 24ff832 · 24ff832
1 parent 3e0a5bf
commit 24ff832
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Showing 2 changed files with 12 additions and 9 deletions.
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFunction.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFunction.h
@@ -96,6 +96,9 @@ namespace CurveFitting
     /// Return the composite function
     API::IFunction_sptr getFunction();
 
+    /// Get reference to a peak
+    API::IPowderDiffPeakFunction_sptr getPeak(size_t peakindex);
+
     /// Force to make all peaks to calculate peak parameters
     void calPeaksParameters();
 
@@ -124,9 +127,6 @@ namespace CurveFitting
     /// Log
     static Kernel::Logger& g_log;
 
-    /// Get reference to a peak
-    API::IPowderDiffPeakFunction_sptr getPeak(size_t peakindex);
-
     /// Set peak parameters
     void setPeakParameters(IPowderDiffPeakFunction_sptr peak, map<string, double > parammap,
                            double peakheight, bool setpeakheight);

diff --git a/Code/Mantid/Framework/CurveFitting/src/LeBailFunction.cpp b/Code/Mantid/Framework/CurveFitting/src/LeBailFunction.cpp
@@ -302,13 +302,16 @@ namespace CurveFitting
                             << tofh << ", which is out of user specified boundary (" << m_minTOFPeakCentre
                             << ", " << m_maxTOFPeakCentre << "). " << ".\n";
       }
-      double dsp = newpeak->getPeakParameter("d_h");
+      else
+      {
+        double dsp = newpeak->getPeakParameter("d_h");
 
-      // Add new peak to all related data storage
-      m_vecPeaks.push_back(newpeak);
-      // FIXME - Refining lattice size is not considered here!
-      m_dspPeakVec.push_back(make_pair(dsp, newpeak));
-      m_mapHKLPeak.insert(make_pair(hkl, newpeak));
+        // Add new peak to all related data storage
+        m_vecPeaks.push_back(newpeak);
+        // FIXME - Refining lattice size is not considered here!
+        m_dspPeakVec.push_back(make_pair(dsp, newpeak));
+        m_mapHKLPeak.insert(make_pair(hkl, newpeak));
+      }
     }
 
     m_numPeaks = m_vecPeaks.size();