Merge remote-tracking branch 'origin/feature/7756_muon_skt_times_gausdecay'

Conflicts:
	Code/Mantid/Framework/CurveFitting/CMakeLists.txt
Re #7756

Code/Mantid/Framework/CurveFitting/CMakeLists.txt

@@ -75,6 +75,7 @@ set ( SRC_FILES
 	src/SplineSmoothing.cpp
 	src/StaticKuboToyabe.cpp
 	src/StaticKuboToyabeTimesExpDecay.cpp
+	src/StaticKuboToyabeTimesGausDecay.cpp
 	src/SteepestDescentMinimizer.cpp
 	src/StretchExp.cpp
 	src/StretchExpMuon.cpp
@@ -174,6 +175,7 @@ set ( INC_FILES
 	inc/MantidCurveFitting/SplineSmoothing.h
 	inc/MantidCurveFitting/StaticKuboToyabe.h
 	inc/MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h
+	inc/MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h
 	inc/MantidCurveFitting/SteepestDescentMinimizer.h
 	inc/MantidCurveFitting/StretchExp.h
 	inc/MantidCurveFitting/StretchExpMuon.h
@@ -256,6 +258,7 @@ set ( TEST_FILES
 	SplineSmoothingTest.h
 	StaticKuboToyabeTest.h
 	StaticKuboToyabeTimesExpDecayTest.h
+	StaticKuboToyabeTimesGausDecayTest.h
 	StretchExpMuonTest.h
 	StretchExpTest.h
 	TabulatedFunctionTest.h

Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h

+#ifndef MANTID_CURVEFITTING_STATICKUBOTOYABETIMESGAUSDECAY_H_
+#define MANTID_CURVEFITTING_STATICKUBOTOYABETIMESGAUSDECAY_H_
+
+#include "MantidAPI/ParamFunction.h"
+#include "MantidAPI/IFunction1D.h"
+
+namespace Mantid
+{
+namespace CurveFitting
+{
+
+  /** 
+    StaticKuboToyabeTimesGausDecay fitting function.
+
+    Represents multiplication of two other fitting functions: StaticKuboToyabe and GausDecay.
+    
+    @author Arturs Bekasovs
+    @date 27/09/2013 
+    
+    Copyright © 2013 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
+
+    This file is part of Mantid.
+
+    Mantid is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 3 of the License, or
+    (at your option) any later version.
+
+    Mantid is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+    File change history is stored at: <https://github.com/mantidproject/mantid>
+    Code Documentation is available at: <http://doxygen.mantidproject.org>
+  */
+  class DLLExport StaticKuboToyabeTimesGausDecay : public API::ParamFunction, public API::IFunction1D
+  {
+  public:
+    std::string name()const {return "StaticKuboToyabeTimesGausDecay";}
+
+    virtual const std::string category() const { return "Muon";}
+
+  protected:
+    virtual void function1D(double* out, const double* xValues, const size_t nData)const;
+
+    virtual void init(); 
+    
+  };
+
+
+} // namespace CurveFitting
+} // namespace Mantid
+
+#endif  /* MANTID_CURVEFITTING_STATICKUBOTOYABETIMESGAUSDECAY_H_ */
\ No newline at end of file

Code/Mantid/Framework/CurveFitting/src/StaticKuboToyabeTimesGausDecay.cpp

+/*WIKI*
+Fitting function for use by Muon scientists defined by:
+
+<math> \mbox{A}\times ( \exp(-{Delta}^2 \times {x}^2 / 2 ) \times ( 1 - ( {Delta}^2 \times {x}^2 ) ) \times  \frac 2 3 + \frac 1 3 ) \times \exp(-{Sigma}^2 \times {x}^2 ) </math>
+ *WIKI*/
+#include "MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h"
+#include "MantidAPI/FunctionFactory.h"
+#include <cmath>
+
+namespace Mantid
+{
+namespace CurveFitting
+{
+  using namespace Kernel;
+  using namespace API;
+  
+  DECLARE_FUNCTION(StaticKuboToyabeTimesGausDecay)
+  
+  void StaticKuboToyabeTimesGausDecay::init() 
+  {
+    declareParameter("A", 1.0, "Amplitude at time 0");
+    declareParameter("Delta", 0.2, "StaticKuboToyabe decay rate");
+    declareParameter("Sigma", 0.2, "Gaus decay rate");
+  }
+  
+  void StaticKuboToyabeTimesGausDecay::function1D(double* out, const double* xValues, const size_t nData) const
+  {
+    const double A = getParameter("A"); 
+    const double D = getParameter("Delta"); 
+    const double S = getParameter("Sigma");
+
+    // Precalculate squares
+    const double D2 = pow(D, 2);
+    const double S2 = pow(S, 2);
+  
+    // Precalculate constants
+    const double C1 = 2.0/3;
+    const double C2 = 1.0/3;
+  
+    for (size_t i = 0; i < nData; i++) {
+      double x2 = pow(xValues[i], 2);
+      out[i] = A*(exp(-(x2*D2)/2)*(1-x2*D2)*C1 + C2)*exp(-S2*x2);
+    } 
+  
+}
+} // namespace CurveFitting
+} // namespace Mantid
\ No newline at end of file

Code/Mantid/Framework/CurveFitting/test/StaticKuboToyabeTimesGausDecayTest.h

+#ifndef MANTID_CURVEFITTING_STATICKUBOTOYABETIMESGAUSDECAYTEST_H_
+#define MANTID_CURVEFITTING_STATICKUBOTOYABETIMESGAUSDECAYTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h"
+#include "MantidAPI/FunctionFactory.h"
+#include "MantidCurveFitting/Fit.h"
+#include "MantidDataObjects/Workspace2D.h"
+
+using Mantid::CurveFitting::StaticKuboToyabeTimesGausDecay;
+using namespace Mantid::Kernel;
+using namespace Mantid::API;
+using namespace Mantid::CurveFitting;
+using namespace Mantid::DataObjects;
+
+class StaticKuboToyabeTimesGausDecayTest : public CxxTest::TestSuite
+{
+public:
+  // This pair of boilerplate methods prevent the suite being created statically
+  // This means the constructor isn't called when running other tests
+  static StaticKuboToyabeTimesGausDecayTest *createSuite() { return new StaticKuboToyabeTimesGausDecayTest(); }
+  static void destroySuite( StaticKuboToyabeTimesGausDecayTest *suite ) { delete suite; }
+
+  void getMockData(Mantid::MantidVec& y, Mantid::MantidVec& e)
+  {
+    // A = 0.24, Delta = 0.16, Sigma = 0.1
+    y[0] = 0.24;
+    y[1] = 0.231594;
+    y[2] = 0.207961;
+    y[3] = 0.173407;
+    y[4] = 0.133761;
+    y[5] = 0.0948783;
+    y[6] = 0.0613345;
+    y[7] = 0.035692;
+    y[8] = 0.0184429;
+    y[9] = 0.0084925;
+    y[10] = 0.00390022;
+    y[11] = 0.00258855;
+    y[12] = 0.00283237;
+    y[13] = 0.00347216;
+    y[14] = 0.00390132;
+
+    for (int i = 0; i < 15; i++)
+      e[i] = 1.0;
+  }
+
+  StaticKuboToyabeTimesGausDecayTest()
+    : fn()
+  {}
+
+  void test_Initialize()
+  {
+    TS_ASSERT_THROWS_NOTHING(fn.initialize());
+  }
+
+  void test_Name()
+  {
+    TS_ASSERT_EQUALS(fn.name(), "StaticKuboToyabeTimesGausDecay");
+  }
+
+  void test_Params()
+  {
+    TS_ASSERT_DELTA(fn.getParameter("A"), 1.0, 0.0001);
+    TS_ASSERT_DELTA(fn.getParameter("Delta"), 0.2, 0.0001);
+    TS_ASSERT_DELTA(fn.getParameter("Sigma"), 0.2, 0.0001);
+  }
+
+  void test_Category()
+  {
+    const std::vector<std::string> categories = fn.categories();
+    TS_ASSERT( categories.size() == 1 );
+    TS_ASSERT( categories[0] == "Muon" );
+  }
+
+  void test_AgainstMockData()
+  {
+    Fit alg2;
+    TS_ASSERT_THROWS_NOTHING(alg2.initialize());
+    TS_ASSERT( alg2.isInitialized() );
+
+    // create mock data to test against
+    std::string wsName = "SKTTimesGausDecayMockData";
+    Workspace_sptr ws = WorkspaceFactory::Instance().create("Workspace2D", 1, 15, 15);
+    Workspace2D_sptr ws2D = boost::dynamic_pointer_cast<Workspace2D>(ws);
+    
+    for (int i = 0; i < 15; i++) 
+      ws2D->dataX(0)[i] = i;
+    
+    getMockData(ws2D->dataY(0), ws2D->dataE(0));
+
+    //put this workspace in the data service
+    TS_ASSERT_THROWS_NOTHING(AnalysisDataService::Instance().addOrReplace(wsName, ws2D));
+
+    alg2.setPropertyValue("Function",fn.asString());
+
+    // Set which spectrum to fit against and initial starting values
+    alg2.setPropertyValue("InputWorkspace", wsName);
+    alg2.setPropertyValue("WorkspaceIndex", "0");
+    alg2.setPropertyValue("StartX", "0");
+    alg2.setPropertyValue("EndX", "14");
+
+    TS_ASSERT_THROWS_NOTHING(
+      TS_ASSERT( alg2.execute() )
+    )
+
+    TS_ASSERT( alg2.isExecuted() );
+
+    double dummy = alg2.getProperty("OutputChi2overDoF");
+    TS_ASSERT_DELTA( dummy, 0.0001,0.0001);
+
+    IFunction_sptr out = alg2.getProperty("Function");
+    TS_ASSERT_DELTA( out->getParameter("A"), 0.24 ,0.0001);
+    TS_ASSERT_DELTA( out->getParameter("Delta"), 0.16 ,0.001);
+    TS_ASSERT_DELTA( out->getParameter("Sigma"), 0.1 ,0.001);
+
+    AnalysisDataService::Instance().remove(wsName);
+  }
+
+  StaticKuboToyabeTimesGausDecay fn;
+};
+
+
+#endif /* MANTID_CURVEFITTING_STATICKUBOTOYABETIMESGAUSDECAYTEST_H_ */
\ No newline at end of file