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Refs #9782. Added Gaussian function with numerical derivatives
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The same as GaussianAutoDiff, for comparison.
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Michael Wedel committed Jul 31, 2014
1 parent 62cc1e6 commit 1fbcda1
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3 changes: 3 additions & 0 deletions Code/Mantid/Framework/CurveFitting/CMakeLists.txt
Expand Up @@ -48,6 +48,7 @@ set ( SRC_FILES
src/Gaussian.cpp
src/GaussianAutoDiff.cpp
src/GaussianComptonProfile.cpp
src/GaussianNumDiff.cpp
src/GramCharlierComptonProfile.cpp
src/IkedaCarpenterPV.cpp
src/LeBailFit.cpp
Expand Down Expand Up @@ -154,6 +155,7 @@ set ( INC_FILES
inc/MantidCurveFitting/Gaussian.h
inc/MantidCurveFitting/GaussianAutoDiff.h
inc/MantidCurveFitting/GaussianComptonProfile.h
inc/MantidCurveFitting/GaussianNumDiff.h
inc/MantidCurveFitting/GramCharlierComptonProfile.h
inc/MantidCurveFitting/IkedaCarpenterPV.h
inc/MantidCurveFitting/Jacobian.h
Expand Down Expand Up @@ -249,6 +251,7 @@ set ( TEST_FILES
GausOscTest.h
GaussianAutoDiffTest.h
GaussianComptonProfileTest.h
GaussianNumDiffTest.h
GaussianTest.h
GramCharlierComptonProfileTest.h
IkedaCarpenterPVTest.h
Expand Down
@@ -0,0 +1,56 @@
#ifndef MANTID_CURVEFITTING_GAUSSIANNUMDIFF_H_
#define MANTID_CURVEFITTING_GAUSSIANNUMDIFF_H_

#include "MantidKernel/System.h"

#include "MantidAPI/IFunction1D.h"
#include "MantidAPI/ParamFunction.h"


namespace Mantid
{
namespace CurveFitting
{

/** GaussianNumDiff : TODO: DESCRIPTION
Copyright © 2014 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 GaussianNumDiff : public API::IFunction1D, public API::ParamFunction
{
public:
GaussianNumDiff();
virtual ~GaussianNumDiff();

std::string name() const { return "GaussianNumDiff"; }

void function1D(double *out, const double *xValues, const size_t nData) const;

protected:
void init();

};


} // namespace CurveFitting
} // namespace Mantid

#endif /* MANTID_CURVEFITTING_GAUSSIANNUMDIFF_H_ */
43 changes: 43 additions & 0 deletions Code/Mantid/Framework/CurveFitting/src/GaussianNumDiff.cpp
@@ -0,0 +1,43 @@
#include "MantidCurveFitting/GaussianNumDiff.h"

namespace Mantid
{
namespace CurveFitting
{


//----------------------------------------------------------------------------------------------
/** Constructor
*/
GaussianNumDiff::GaussianNumDiff()
{
}

//----------------------------------------------------------------------------------------------
/** Destructor
*/
GaussianNumDiff::~GaussianNumDiff()
{
}

void GaussianNumDiff::function1D(double *out, const double *xValues, const size_t nData) const
{
double height = getParameter("Height");
double centre = getParameter("PeakCentre");
double sigma = getParameter("Sigma");

for(size_t i = 0; i < nData; ++i) {
out[i] = height * exp(-0.5 * pow( (xValues[i] - centre)/sigma, 2.0) );
}
}

void GaussianNumDiff::init() {
declareParameter("Height");
declareParameter("PeakCentre");
declareParameter("Sigma");
}



} // namespace CurveFitting
} // namespace Mantid
29 changes: 29 additions & 0 deletions Code/Mantid/Framework/CurveFitting/test/GaussianNumDiffTest.h
@@ -0,0 +1,29 @@
#ifndef MANTID_CURVEFITTING_GAUSSIANNUMDIFFTEST_H_
#define MANTID_CURVEFITTING_GAUSSIANNUMDIFFTEST_H_

#include <cxxtest/TestSuite.h>

#include "MantidCurveFitting/GaussianNumDiff.h"

using Mantid::CurveFitting::GaussianNumDiff;
using namespace Mantid::API;

class GaussianNumDiffTest : 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 GaussianNumDiffTest *createSuite() { return new GaussianNumDiffTest(); }
static void destroySuite( GaussianNumDiffTest *suite ) { delete suite; }


void test_Something()
{
TSM_ASSERT( "You forgot to write a test!", 0);
}


};


#endif /* MANTID_CURVEFITTING_GAUSSIANNUMDIFFTEST_H_ */

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