Refs #9531. Mapping fit weights in CostFuncFitting.

Instead of calling the virtual function getWeights each time fit weights are accessed in LeastSquaresCostFunc, they are mapped once before the calculations.
mantidproject · Jun 2, 2014 · eb67fc5 · eb67fc5
1 parent 46747ba
commit eb67fc5
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Showing 2 changed files with 18 additions and 4 deletions.
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h
@@ -75,7 +75,6 @@ class DLLExport CostFuncLeastSquares : public CostFuncFitting
 
   void setParameters(const GSLVector& params);
   void getParameters(GSLVector& params) const;
-
 protected:
 
   virtual void calActiveCovarianceMatrix(GSLMatrix& covar, double epsrel = 1e-8);
@@ -90,6 +89,9 @@ class DLLExport CostFuncLeastSquares : public CostFuncFitting
     API::FunctionValues_sptr values,
     bool evalFunction = true, bool evalDeriv = true, bool evalHessian = true) const;
 
+  /// Get mapped weights from FunctionValues
+  std::vector<double> getFitWeights(API::FunctionValues_sptr values, double sqrtW) const;
+
   /// Get weight (1/sigma)
   virtual double getWeight(API::FunctionValues_sptr values, size_t i, double sqrtW=1.0) const;
 

diff --git a/Code/Mantid/Framework/CurveFitting/src/CostFuncLeastSquares.cpp b/Code/Mantid/Framework/CurveFitting/src/CostFuncLeastSquares.cpp
@@ -296,6 +296,9 @@ void CostFuncLeastSquares::addValDerivHessian(
     }
   }
   double sqrtw = calSqrtW(values);
+
+  std::vector<double> weights = getFitWeights(values, sqrtw);
+
   for(size_t ip = 0; ip < np; ++ip)
   {
     if ( !function->isActive(ip) ) continue;
@@ -304,8 +307,7 @@ void CostFuncLeastSquares::addValDerivHessian(
     {
       double calc = values->getCalculated(i);
       double obs = values->getFitData(i);
-      // double w = values->getFitWeight(i);
-      double w =  getWeight(values, i, sqrtw);
+      double w =  weights[i];
       double y = ( calc - obs ) * w;
       d += y * jacobian.get(i,ip) * w;
       if (iActiveP == 0 && evalFunction)
@@ -344,7 +346,7 @@ void CostFuncLeastSquares::addValDerivHessian(
       for(size_t k = 0; k < ny; ++k) // over fitting data
       {
         // double w = values->getFitWeight(k);
-        double w = getWeight(values, k, sqrtw);
+        double w = weights[k];//getWeight(values, k, sqrtw);
         d += jacobian.get(k,i) * jacobian.get(k,j) * w * w;
       }
       PARALLEL_CRITICAL(hessian_set)
@@ -363,6 +365,16 @@ void CostFuncLeastSquares::addValDerivHessian(
   }
 }
 
+std::vector<double> CostFuncLeastSquares::getFitWeights(API::FunctionValues_sptr values, double sqrtW) const
+{
+    std::vector<double> weights(values->size());
+    for(size_t i = 0; i < weights.size(); ++i) {
+        weights[i] = getWeight(values, i, sqrtW);
+    }
+
+    return weights;
+}
+
 /**
  * Return cached or calculate the drivatives.
  */