Refs #11674. Changing PoldiCalibrationProfile

mantidproject · May 22, 2015 · 44ceec4 · 44ceec4
1 parent 5f16c29
commit 44ceec4
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Showing 3 changed files with 13 additions and 29 deletions.
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/PoldiCalibrationProfile.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/PoldiCalibrationProfile.h
@@ -47,16 +47,11 @@ class DLLExport PoldiCalibrationProfile : public Gaussian {
 
   std::string name() const { return "PoldiCalibrationProfile"; }
 
-  double centre() const;
-
   void functionLocal(double *out, const double *xValues,
                      const size_t nData) const;
   void functionDerivLocal(API::Jacobian *out, const double *xValues,
                           const size_t nData);
 
-  // void functionDerivLocal(API::Jacobian *out, const double *xValues, const
-  // size_t nData);
-
 protected:
   double getAbsoluteShift() const;
 

diff --git a/Code/Mantid/Framework/CurveFitting/src/PoldiCalibrationProfile.cpp b/Code/Mantid/Framework/CurveFitting/src/PoldiCalibrationProfile.cpp
@@ -1,5 +1,6 @@
 #include "MantidCurveFitting/PoldiCalibrationProfile.h"
 #include "MantidAPI/FunctionFactory.h"
+#include <iostream>
 
 namespace Mantid {
 namespace CurveFitting {
@@ -14,7 +15,8 @@ void PoldiCalibrationProfile::functionLocal(double *out, const double *xValues,
   const double height = getParameter("Height");
   const double peakCentre = getParameter("PeakCentre");
   const double shift = getAbsoluteShift();
-  const double realCentre = peakCentre + peakCentre * shift;
+  const double realCentre =
+      peakCentre * (1.0 + shift) + getAttribute("ChopperOffset").asDouble();
 
   const double weight = pow(1 / getParameter("Sigma"), 2);
 
@@ -30,38 +32,37 @@ void PoldiCalibrationProfile::functionDerivLocal(Jacobian *out,
   const double height = getParameter("Height");
   const double peakCentre = getParameter("PeakCentre");
   const double shift = getAbsoluteShift();
-  const double realCentre = peakCentre + peakCentre * shift;
+  const double realCentre =
+      peakCentre * (1.0 + shift) + getAttribute("ChopperOffset").asDouble();
 
   const double weight = pow(1 / getParameter("Sigma"), 2);
-  const double factor = getAttribute("DeltaTheta").asDouble() / 1000.0;
+  const double factor = getAttribute("DeltaTheta").asDouble() * 1.e-3;
 
   for (size_t i = 0; i < nData; i++) {
     double diff = xValues[i] - realCentre;
     double e = exp(-0.5 * diff * diff * weight);
     double b = e * height * diff * weight;
     out->set(i, 0, e);
-    out->set(i, 1, b * (1.0 + shift));
+    out->set(i, 1, b * (shift + 1.0));
     out->set(i, 2, -0.5 * diff * diff * height *
                        e); // derivative with respect to weight not sigma
     out->set(i, 3, b * factor * peakCentre);
   }
 }
 
-double PoldiCalibrationProfile::centre() const {
-  return getParameter("PeakCentre") +
-         getParameter("PeakCentre") * getAbsoluteShift();
-}
-
 double PoldiCalibrationProfile::getAbsoluteShift() const {
-  return getParameter("Slope") * 1.e-3 * getAttribute("DeltaTheta").asDouble();
+  return getParameter("Slope") * getAttribute("DeltaTheta").asDouble() * 1.e-3;
 }
 
 /// Initialize Gaussian parameters and declare additional parameter.
 void PoldiCalibrationProfile::init() {
   Gaussian::init();
 
-  declareParameter("Slope");
+  declareParameter("Slope", 0.0);
   declareAttribute("DeltaTheta", IFunction::Attribute(0.0));
+  declareAttribute("ChopperOffset", IFunction::Attribute(0.0));
+
+  // fix(3);
 }
 
 } // namespace CurveFitting

diff --git a/Code/Mantid/Framework/CurveFitting/test/PoldiCalibrationProfileTest.h b/Code/Mantid/Framework/CurveFitting/test/PoldiCalibrationProfileTest.h
@@ -3,6 +3,7 @@
 
 #include <cxxtest/TestSuite.h>
 
+#include "MantidCurveFitting/Jacobian.h"
 #include "MantidCurveFitting/PoldiCalibrationProfile.h"
 
 using namespace Mantid::CurveFitting;
@@ -26,19 +27,6 @@ class PoldiCalibrationProfileTest : public CxxTest::TestSuite {
 
     TS_ASSERT_EQUALS(fn.nParams(), gaussian.nParams() + 1);
   }
-
-  void testDerivatives() {
-      PoldiCalibrationProfile fn;
-      fn.initialize();
-
-      fn.setParameter("Height", 2.0);
-      fn.setParameter("PeakCentre", 1.1);
-      fn.setParameter("Sigma", 0.01);
-      fn.setParameter("Slope", 0.001);
-      fn.setAttribute("DeltaTheta", IFunction::Attribute(0.01));
-
-
-  }
 };
 
 #endif /* MANTID_CURVEFITTING_POLDICALIBRATIONFUNCTIONTEST_H_ */