Add a polynomial background function. Refs #5306.

Code/Mantid/Framework/CurveFitting/CMakeLists.txt

@@ -9,7 +9,7 @@ set ( SRC_FILES
 	src/Bk2BkExpConvPV.cpp
 	src/BoundaryConstraint.cpp
 	src/Chebyshev.cpp
-	src/ChebyshevPolynomialBackground.cpp
+	# src/ChebyshevPolynomialBackground.cpp
 	src/Convolution.cpp
 	src/CostFuncFitting.cpp
 	src/CostFuncLeastSquares.cpp
@@ -81,7 +81,7 @@ set ( INC_FILES
 	inc/MantidCurveFitting/Bk2BkExpConvPV.h
 	inc/MantidCurveFitting/BoundaryConstraint.h
 	inc/MantidCurveFitting/Chebyshev.h
-	inc/MantidCurveFitting/ChebyshevPolynomialBackground.h
+	# inc/MantidCurveFitting/ChebyshevPolynomialBackground.h
 	inc/MantidCurveFitting/CompositeValues.h
 	inc/MantidCurveFitting/Convolution.h
 	inc/MantidCurveFitting/CostFuncFitting.h
@@ -154,7 +154,7 @@ set ( TEST_FILES
 	test/BivariateNormalTest.h
 	test/Bk2BkExpConvPVTest.h
 	test/BoundaryConstraintTest.h
-	test/ChebyshevPolynomialBackgroundTest.h
+	# test/ChebyshevPolynomialBackgroundTest.h
 	test/ChebyshevTest.h
 	test/CompositeFunctionTest.h
 	test/ConvolutionTest.h

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

@@ -0,0 +1,55 @@
+#ifndef MANTID_CURVEFITTING_HIGHORDERPOLYNOMIALBACKGROUND_H_
+#define MANTID_CURVEFITTING_HIGHORDERPOLYNOMIALBACKGROUND_H_
+
+#include "MantidKernel/System.h"
+#include "MantidCurveFitting/BackgroundFunction.h"
+#include <cmath>
+
+
+namespace Mantid
+{
+namespace CurveFitting
+{
+
+  /** HighOrderPolynomialBackground : TODO: DESCRIPTION
+    
+    Copyright &copy; 2012 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://svn.mantidproject.org/mantid/trunk/Code/Mantid>
+    Code Documentation is available at: <http://doxygen.mantidproject.org>
+  */
+  class DLLExport HighOrderPolynomialBackground : public BackgroundFunction
+  {
+  public:
+    HighOrderPolynomialBackground();
+    virtual ~HighOrderPolynomialBackground();
+
+    std::string name()const{return "HighOrderPolynomialBackground";}
+    virtual void function1D(double* out, const double* xValues, const size_t nData)const;
+    virtual void functionDeriv1D(API::Jacobian* out, const double* xValues, const size_t nData);
+
+  private:
+    void init();
+
+  };
+
+
+} // namespace CurveFitting
+} // namespace Mantid
+
+#endif  /* MANTID_CURVEFITTING_HIGHORDERPOLYNOMIALBACKGROUND_H_ */

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

@@ -0,0 +1,74 @@
+#include "MantidCurveFitting/HighOrderPolynomialBackground.h"
+#include "MantidAPI/FunctionFactory.h"
+
+
+using namespace Mantid::Kernel;
+using namespace Mantid::API;
+
+namespace Mantid
+{
+namespace CurveFitting
+{
+
+DECLARE_FUNCTION(HighOrderPolynomialBackground)
+
+  //----------------------------------------------------------------------------------------------
+  /** Constructor
+   */
+  HighOrderPolynomialBackground::HighOrderPolynomialBackground()
+  {
+  }
+
+  //----------------------------------------------------------------------------------------------
+  /** Destructor
+   */
+  HighOrderPolynomialBackground::~HighOrderPolynomialBackground()
+  {
+  }
+
+  void HighOrderPolynomialBackground::init()
+  {
+    declareParameter("A0", 0.0);
+    declareParameter("A1", 0.0);
+    declareParameter("A2", 0.0);
+    declareParameter("A3", 0.0);
+    declareParameter("A4", 0.0);
+  }
+
+
+  /*
+   *
+   */
+  void HighOrderPolynomialBackground::function1D(double* out, const double* xValues, const size_t nData)const
+  {
+      const double& a0 = getParameter("A0");
+      const double& a1 = getParameter("A1");
+      const double& a2 = getParameter("A2");
+      const double& a3 = getParameter("A3");
+      const double& a4 = getParameter("A4");
+
+      for (size_t i = 0; i < nData; i++)
+      {
+          out[i] = a0+a1*xValues[i]+a2*xValues[i]*xValues[i]+a3*xValues[i]*xValues[i]*xValues[i]+
+                  a4*xValues[i]*xValues[i]*xValues[i]*xValues[i];
+      }
+
+      return;
+  }
+
+  void HighOrderPolynomialBackground::functionDeriv1D(API::Jacobian* out, const double* xValues, const size_t nData)
+  {
+      for (size_t i = 0; i < nData; i++)
+      {
+          out->set(i, 0, 1);
+          out->set(i, 1, xValues[i]);
+          out->set(i, 2, xValues[i]*xValues[i]);
+          out->set(i, 3, xValues[i]*xValues[i]*xValues[i]);
+          out->set(i, 4, xValues[i]*xValues[i]*xValues[i]*xValues[i]);
+      }
+  }
+
+
+
+} // namespace CurveFitting
+} // namespace Mantid

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

@@ -45,14 +45,16 @@ DECLARE_FUNCTION(QuadraticBackground)
       const double& a1 = getParameter("A1");
       const double& a2 = getParameter("A2");
 
-      for (size_t i = 0; i < nData; i++) {
+      for (size_t i = 0; i < nData; i++)
+      {
           out[i] = a0+a1*xValues[i]+a2*xValues[i]*xValues[i];
       }
   }
 
   void QuadraticBackground::functionDeriv1D(API::Jacobian* out, const double* xValues, const size_t nData)
   {
-      for (size_t i = 0; i < nData; i++) {
+      for (size_t i = 0; i < nData; i++)
+      {
           out->set(i, 0, 1);
           out->set(i, 1, xValues[i]);
           out->set(i, 2, xValues[i]*xValues[i]);

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

@@ -0,0 +1,96 @@
+#ifndef MANTID_CURVEFITTING_HIGHORDERPOLYNOMIALBACKGROUNDTEST_H_
+#define MANTID_CURVEFITTING_HIGHORDERPOLYNOMIALBACKGROUNDTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidCurveFitting/HighOrderPolynomialBackground.h"
+#include "MantidDataObjects/Workspace2D.h"
+#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidCurveFitting/Fit.h"
+
+using Mantid::CurveFitting::HighOrderPolynomialBackground;
+using namespace Mantid;
+using namespace API;
+using namespace Kernel;
+
+class HighOrderPolynomialBackgroundTest : 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 HighOrderPolynomialBackgroundTest *createSuite() { return new HighOrderPolynomialBackgroundTest(); }
+  static void destroySuite( HighOrderPolynomialBackgroundTest *suite ) { delete suite; }
+
+  void testForCategories()
+  {
+    HighOrderPolynomialBackground forCat;
+    const std::vector<std::string> categories = forCat.categories();
+    TS_ASSERT( categories.size() == 1 );
+    TS_ASSERT( categories[0] == "Background" );
+  }
+
+  void test_HighOrderPolynomialBackground()
+  {
+    // create mock data to test against
+    std::string wsName = "QuadraticBackgroundTest";
+    int histogramNumber = 1;
+    int timechannels = 5;
+    DataObjects::Workspace2D_sptr ws2D =
+        boost::dynamic_pointer_cast<DataObjects::Workspace2D>(
+            API::WorkspaceFactory::Instance().create("Workspace2D", histogramNumber, timechannels, timechannels));
+    for (int i = 0; i < timechannels; i++)
+    {
+      ws2D->dataX(0)[i] = i + 1;
+      ws2D->dataY(0)[i] = (i + 1)*(i + 1) + 2*(i+1) + 3.0;
+      ws2D->dataE(0)[i] = 1.0;
+    }
+
+    //put this workspace in the data service
+    TS_ASSERT_THROWS_NOTHING(AnalysisDataService::Instance().add(wsName, ws2D));
+
+    CurveFitting::Fit alg2;
+    TS_ASSERT_THROWS_NOTHING(alg2.initialize());
+    TS_ASSERT( alg2.isInitialized() );
+
+    // set up fitting function
+    IFunction_sptr quadB(new HighOrderPolynomialBackground());
+    quadB->initialize();
+
+    quadB->setParameter("A0", 0.0);
+    quadB->setParameter("A1", 1.0);
+    quadB->setParameter("A2", 0.0);
+    quadB->setParameter("A3", 0.0);
+
+    //alg2.setFunction(linB);
+    alg2.setProperty("Function", quadB);
+
+    // Set which spectrum to fit against and initial starting values
+    alg2.setPropertyValue("InputWorkspace", wsName);
+    alg2.setPropertyValue("WorkspaceIndex", "0");
+
+    // execute fit
+    TS_ASSERT_THROWS_NOTHING(TS_ASSERT( alg2.execute() ))
+
+    TS_ASSERT( alg2.isExecuted() );
+
+    // test the output from fit is what you expect
+    double dummy = alg2.getProperty("OutputChi2overDoF");
+
+    TS_ASSERT_DELTA( dummy, 0.0,0.1);
+    IFunction_sptr out = alg2.getProperty("Function");
+    TS_ASSERT_DELTA( out->getParameter("A0"), 3.0, 0.01);
+    TS_ASSERT_DELTA( out->getParameter("A1"), 2.0, 0.0003);
+    TS_ASSERT_DELTA( out->getParameter("A2"), 1.0, 0.01);
+
+    // check its categories
+    const std::vector<std::string> categories = out->categories();
+    TS_ASSERT( categories.size() == 1 );
+    TS_ASSERT( categories[0] == "Background" );
+
+    return;
+  }
+
+};
+
+
+#endif /* MANTID_CURVEFITTING_HIGHORDERPOLYNOMIALBACKGROUNDTEST_H_ */