diff --git a/Code/Mantid/Framework/CurveFitting/CMakeLists.txt b/Code/Mantid/Framework/CurveFitting/CMakeLists.txt
index ffdc03127aa01e7ab7ac7c0709dc18702b974170..6dcd2409082839d00dc2f0f2e808de7357979003 100644
--- a/Code/Mantid/Framework/CurveFitting/CMakeLists.txt
+++ b/Code/Mantid/Framework/CurveFitting/CMakeLists.txt
@@ -16,6 +16,7 @@ set ( SRC_FILES
src/Convolution.cpp
src/CostFuncFitting.cpp
src/CostFuncLeastSquares.cpp
+ src/CostFuncRwp.cpp
src/CubicSpline.cpp
src/DampingMinimizer.cpp
src/DeltaFunction.cpp
@@ -111,6 +112,7 @@ set ( INC_FILES
inc/MantidCurveFitting/Convolution.h
inc/MantidCurveFitting/CostFuncFitting.h
inc/MantidCurveFitting/CostFuncLeastSquares.h
+ inc/MantidCurveFitting/CostFuncRwp.h
inc/MantidCurveFitting/CubicSpline.h
inc/MantidCurveFitting/DampingMinimizer.h
inc/MantidCurveFitting/DeltaFunction.h
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h
index 5909b3553ab5917e4eb3bace70668a973a527a1b..311f0b82256c792f8aecd0d5ef9444531529be0f 100644
--- a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h
+++ b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h
@@ -94,7 +94,14 @@ protected:
API::FunctionValues_sptr values,
bool evalFunction = true, bool evalDeriv = true, bool evalHessian = true) const;
-private:
+ /// Get weight (1/sigma)
+ virtual double getWeight(API::FunctionValues_sptr values, size_t i, double sqrtW=1.0) const;
+
+ /// Calcualte sqrt(W). Final cost function = sum_i [ (obs_i - cal_i) / (sigma * sqrt(W))]**2
+ virtual double calSqrtW(API::FunctionValues_sptr values) const;
+
+ /// Flag to include constraint in cost function value
+ bool m_includePenalty;
mutable double m_value;
mutable GSLVector m_der;
@@ -107,6 +114,8 @@ private:
friend class SeqDomain;
friend class ParDomain;
+ double m_factor;
+
Kernel::Logger & m_log;
};
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncRwp.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncRwp.h
new file mode 100644
index 0000000000000000000000000000000000000000..6df2e860cbd1f3f88ccb2bb5458f6a3ee5fac1af
--- /dev/null
+++ b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncRwp.h
@@ -0,0 +1,74 @@
+#ifndef MANTID_CURVEFITTING_COSTFUNCRWP_H_
+#define MANTID_CURVEFITTING_COSTFUNCRWP_H_
+
+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/GSLMatrix.h"
+#include "MantidCurveFitting/GSLVector.h"
+
+namespace Mantid
+{
+namespace Kernel
+{
+ class Logger;
+}
+namespace CurveFitting
+{
+ class SeqDomain;
+ class ParDomain;
+
+/** Cost function for Rwp = (sum_i (( obs_i - cal_i )/sigma_i)**2 ) / (sum_i (obs_i/sigma_i)**2)
+
+ @author
+ @date
+
+ Copyright ©
+
+ 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 CostFuncRwp : public CostFuncLeastSquares
+{
+public:
+ /// Constructor
+ CostFuncRwp();
+ /// Virtual destructor
+ virtual ~CostFuncRwp() {}
+
+ /// Get name of minimizer
+ virtual std::string name() const { return "Rwp";}
+
+ /// Get short name of minimizer - useful for say labels in guis
+ virtual std::string shortName() const {return "Rwp";}
+
+private:
+
+ /// Get weight (1/sigma)
+ virtual double getWeight(API::FunctionValues_sptr values, size_t i, double sqrtW=1.0) const;
+
+ /// Calcualte sqrt(W). Final cost function = sum_i [ (obs_i - cal_i) / (sigma * sqrt(W))]**2
+ virtual double calSqrtW(API::FunctionValues_sptr values) const;
+
+};
+
+} // namespace CurveFitting
+} // namespace Mantid
+
+#endif /*MANTID_CURVEFITTING_COSTFUNCRWP_H_*/
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h
index 688a682f58f2061f3c1e3c45086d5678fe64fb33..54789aab995e4cf87068572731bb8699eedd1407 100644
--- a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h
+++ b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h
@@ -9,6 +9,7 @@
#include "MantidAPI/FunctionValues.h"
#include "MantidAPI/IDomainCreator.h"
#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFuncRwp.h"
#include <stdexcept>
#include <vector>
@@ -60,6 +61,11 @@ public:
virtual void leastSquaresVal(const CostFuncLeastSquares& leastSquares);
/// Calculate the value, first and second derivatives of a least squares cost function
virtual void leastSquaresValDerivHessian(const CostFuncLeastSquares& leastSquares, bool evalFunction, bool evalDeriv, bool evalHessian);
+ /// Calculate the value of a Rwp cost function
+ void rwpVal(const CostFuncRwp& rwp);
+ /// Calculate the value, first and second derivatives of a RWP cost function
+ void rwpValDerivHessian(const CostFuncRwp& rwp, bool evalFunction, bool evalDeriv, bool evalHessian);
+
/// Create an instance of SeqDomain in one of two forms: either SeqDomain for sequential domain creation
/// or ParDomain for parallel calculations
static SeqDomain* create(API::IDomainCreator::DomainType type);
diff --git a/Code/Mantid/Framework/CurveFitting/src/CostFuncLeastSquares.cpp b/Code/Mantid/Framework/CurveFitting/src/CostFuncLeastSquares.cpp
index d746a2ce1513a9730f7d476bd489d49e4072d637..80fc94ee38c6398c3f4c098abcd976121c6fc9db 100644
--- a/Code/Mantid/Framework/CurveFitting/src/CostFuncLeastSquares.cpp
+++ b/Code/Mantid/Framework/CurveFitting/src/CostFuncLeastSquares.cpp
@@ -25,7 +25,11 @@ DECLARE_COSTFUNCTION(CostFuncLeastSquares,Least squares)
/**
* Constructor
*/
-CostFuncLeastSquares::CostFuncLeastSquares() : CostFuncFitting(),m_value(0),m_pushed(false),
+CostFuncLeastSquares::CostFuncLeastSquares() : CostFuncFitting(),
+ m_includePenalty(true),
+ m_value(0),
+ m_pushed(false),
+ m_factor(0.5),
m_log(Kernel::Logger::get("CostFuncLeastSquares")) {}
/** Calculate value of cost function
@@ -56,13 +60,16 @@ double CostFuncLeastSquares::val() const
}
// add penalty
- for(size_t i=0;i<m_function->nParams();++i)
+ if (m_includePenalty)
{
- if ( !m_function->isActive(i) ) continue;
- API::IConstraint* c = m_function->getConstraint(i);
- if (c)
+ for(size_t i=0;i<m_function->nParams();++i)
{
- m_value += c->check();
+ if ( !m_function->isActive(i) ) continue;
+ API::IConstraint* c = m_function->getConstraint(i);
+ if (c)
+ {
+ m_value += c->check();
+ }
}
}
@@ -82,15 +89,19 @@ void CostFuncLeastSquares::addVal(API::FunctionDomain_sptr domain, API::Function
double retVal = 0.0;
+ double sqrtw = calSqrtW(values);
+
for (size_t i = 0; i < ny; i++)
{
- double val = ( values->getCalculated(i) - values->getFitData(i) ) * values->getFitWeight(i);
+ // double val = ( values->getCalculated(i) - values->getFitData(i) ) * values->getFitWeight(i);
+ double val = ( values->getCalculated(i) - values->getFitData(i) ) * getWeight(values, i, sqrtw);
retVal += val * val;
}
-
+
PARALLEL_ATOMIC
- m_value += 0.5 * retVal;
+ m_value += m_factor * retVal;
+ return;
}
@@ -183,12 +194,15 @@ double CostFuncLeastSquares::valDerivHessian(bool evalFunction, bool evalDeriv,
size_t np = m_function->nParams();
if (evalFunction)
{
- for(size_t i = 0; i < np; ++i)
+ if (m_includePenalty)
{
- API::IConstraint* c = m_function->getConstraint(i);
- if (c)
+ for(size_t i = 0; i < np; ++i)
{
- m_value += c->check();
+ API::IConstraint* c = m_function->getConstraint(i);
+ if (c)
+ {
+ m_value += c->check();
+ }
}
}
m_dirtyVal = false;
@@ -196,34 +210,40 @@ double CostFuncLeastSquares::valDerivHessian(bool evalFunction, bool evalDeriv,
if (evalDeriv)
{
- size_t i = 0;
- for(size_t ip = 0; ip < np; ++ip)
+ if (m_includePenalty)
{
- if ( !m_function->isActive(ip) ) continue;
- API::IConstraint* c = m_function->getConstraint(ip);
- if (c)
+ size_t i = 0;
+ for(size_t ip = 0; ip < np; ++ip)
{
- double d = m_der.get(i) + c->checkDeriv();
- m_der.set(i,d);
+ if ( !m_function->isActive(ip) ) continue;
+ API::IConstraint* c = m_function->getConstraint(ip);
+ if (c)
+ {
+ double d = m_der.get(i) + c->checkDeriv();
+ m_der.set(i,d);
+ }
+ ++i;
}
- ++i;
}
m_dirtyDeriv = false;
}
if (evalDeriv)
{
- size_t i = 0;
- for(size_t ip = 0; ip < np; ++ip)
+ if (m_includePenalty)
{
- if ( !m_function->isActive(ip) ) continue;
- API::IConstraint* c = m_function->getConstraint(ip);
- if (c)
+ size_t i = 0;
+ for(size_t ip = 0; ip < np; ++ip)
{
- double d = m_hessian.get(i,i) + c->checkDeriv2();
- m_hessian.set(i,i,d);
+ if ( !m_function->isActive(ip) ) continue;
+ API::IConstraint* c = m_function->getConstraint(ip);
+ if (c)
+ {
+ double d = m_hessian.get(i,i) + c->checkDeriv2();
+ m_hessian.set(i,i,d);
+ }
+ ++i;
}
- ++i;
}
// clear the dirty flag if hessian was actually calculated
m_dirtyHessian = m_hessian.isEmpty();
@@ -273,6 +293,7 @@ void CostFuncLeastSquares::addValDerivHessian(
std::cerr << std::endl;
}
}
+ double sqrtw = calSqrtW(values);
for(size_t ip = 0; ip < np; ++ip)
{
if ( !function->isActive(ip) ) continue;
@@ -281,7 +302,8 @@ void CostFuncLeastSquares::addValDerivHessian(
{
double calc = values->getCalculated(i);
double obs = values->getFitData(i);
- double w = values->getFitWeight(i);
+ // double w = values->getFitWeight(i);
+ double w = getWeight(values, i, sqrtw);
double y = ( calc - obs ) * w;
d += y * jacobian.get(i,ip) * w;
if (iActiveP == 0 && evalFunction)
@@ -319,7 +341,8 @@ void CostFuncLeastSquares::addValDerivHessian(
double d = 0.0;
for(size_t k = 0; k < ny; ++k) // over fitting data
{
- double w = values->getFitWeight(k);
+ // double w = values->getFitWeight(k);
+ double w = getWeight(values, k, sqrtw);
d += jacobian.get(k,i) * jacobian.get(k,j) * w * w;
}
PARALLEL_CRITICAL(hessian_set)
@@ -497,5 +520,24 @@ void CostFuncLeastSquares::calActiveCovarianceMatrix(GSLMatrix& covar, double ep
}
+//----------------------------------------------------------------------------------------------
+/** Get weight of data point i(1/sigma)
+ */
+double CostFuncLeastSquares::getWeight(API::FunctionValues_sptr values, size_t i, double sqrtW) const
+{
+ UNUSED_ARG(sqrtW);
+ return (values->getFitWeight(i));
+}
+
+//----------------------------------------------------------------------------------------------
+/** Get square root of normalization weight (W)
+ */
+double CostFuncLeastSquares::calSqrtW(API::FunctionValues_sptr values) const
+{
+ UNUSED_ARG(values);
+
+ return 1.0;
+}
+
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Code/Mantid/Framework/CurveFitting/src/CostFuncRwp.cpp b/Code/Mantid/Framework/CurveFitting/src/CostFuncRwp.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3efe90cc71ad16a3b3f9448d3dbe43814297f342
--- /dev/null
+++ b/Code/Mantid/Framework/CurveFitting/src/CostFuncRwp.cpp
@@ -0,0 +1,61 @@
+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidCurveFitting/CostFuncRwp.h"
+#include "MantidCurveFitting/Jacobian.h"
+#include "MantidCurveFitting/SeqDomain.h"
+#include "MantidAPI/IConstraint.h"
+#include "MantidAPI/CompositeDomain.h"
+#include "MantidAPI/FunctionValues.h"
+
+#include <iomanip>
+
+namespace Mantid
+{
+namespace CurveFitting
+{
+
+DECLARE_COSTFUNCTION(CostFuncRwp,Rwp)
+
+//----------------------------------------------------------------------------------------------
+/**
+ * Constructor
+ */
+CostFuncRwp::CostFuncRwp() : CostFuncLeastSquares()
+{
+ m_includePenalty = false;
+ m_value = 0.;
+ m_pushed = false;
+ m_factor = 1.;
+}
+
+//----------------------------------------------------------------------------------------------
+/** Get weight of data point i(1/sigma)
+ */
+double CostFuncRwp::getWeight(API::FunctionValues_sptr values, size_t i, double sqrtW) const
+{
+ return (values->getFitWeight(i)/sqrtW);
+}
+
+//----------------------------------------------------------------------------------------------
+/** Get square root of normalization weight (W)
+ */
+double CostFuncRwp::calSqrtW(API::FunctionValues_sptr values) const
+{
+ double weight = 0.0;
+
+ // FIXME : This might give a wrong answer in case of multiple-domain
+ size_t ny = values->size();
+ for (size_t i = 0; i < ny; ++i)
+ {
+ double obsval = values->getFitData(i);
+ double inv_sigma = values->getFitWeight(i);
+ weight += obsval * obsval * inv_sigma * inv_sigma;
+ }
+
+ return sqrt(weight);
+}
+
+
+} // namespace CurveFitting
+} // namespace Mantid
diff --git a/Code/Mantid/Framework/CurveFitting/src/Fit.cpp b/Code/Mantid/Framework/CurveFitting/src/Fit.cpp
index 9cfa125dccd682e053812f13ac64eea6be0f2612..544dd129e72d65ef79ce5e3f8b577eff0d979ab9 100644
--- a/Code/Mantid/Framework/CurveFitting/src/Fit.cpp
+++ b/Code/Mantid/Framework/CurveFitting/src/Fit.cpp
@@ -655,7 +655,8 @@ namespace CurveFitting
// degrees of freedom
size_t dof = values->size() - costFunc->nParams();
if (dof == 0) dof = 1;
- double finalCostFuncVal = minimizer->costFunctionVal() / double(dof);
+ double rawcostfuncval = minimizer->costFunctionVal();
+ double finalCostFuncVal = rawcostfuncval / double(dof);
setProperty("OutputChi2overDoF",finalCostFuncVal);
@@ -770,7 +771,21 @@ namespace CurveFitting
}
// Add chi-squared value at the end of parameter table
Mantid::API::TableRow row = result->appendRow();
- row << "Cost function value" << finalCostFuncVal;
+#if 1
+ std::string costfuncname = getPropertyValue("CostFunction");
+ if (costfuncname == "Rwp")
+ row << "Cost function value" << rawcostfuncval;
+ else
+ row << "Cost function value" << finalCostFuncVal;
+ setProperty("OutputParameters",result);
+#else
+ row << "Cost function value" << finalCostFuncVal;
+ Mantid::API::TableRow row2 = result->appendRow();
+ std::string name(getPropertyValue("CostFunction"));
+ name += " value";
+ row2 << name << rawcostfuncval;
+#endif
+
setProperty("OutputParameters",result);
const bool unrollComposites = getProperty("OutputCompositeMembers");
diff --git a/Code/Mantid/Framework/CurveFitting/src/SeqDomain.cpp b/Code/Mantid/Framework/CurveFitting/src/SeqDomain.cpp
index 0b318b387820850b673ac8a7c31307a1aef47799..c4a3ed24ac33dc6f2fd129b56be443f7ce13f470 100644
--- a/Code/Mantid/Framework/CurveFitting/src/SeqDomain.cpp
+++ b/Code/Mantid/Framework/CurveFitting/src/SeqDomain.cpp
@@ -98,6 +98,29 @@ void SeqDomain::leastSquaresVal(const CostFuncLeastSquares& leastSquares)
}
}
+//------------------------------------------------------------------------------------------------
+/**
+ * Calculate the value of a least squares cost function
+ * @param leastSquares :: The least squares cost func to calculate the value for
+ */
+void SeqDomain::rwpVal(const CostFuncRwp& rwp)
+{
+ API::FunctionDomain_sptr domain;
+ API::IFunctionValues_sptr values;
+ const size_t n = getNDomains();
+ for(size_t i = 0; i < n; ++i)
+ {
+ values.reset();
+ getDomainAndValues( i, domain, values );
+ auto simpleValues = boost::dynamic_pointer_cast<API::FunctionValues>(values);
+ if (!simpleValues)
+ {
+ throw std::runtime_error("LeastSquares: unsupported IFunctionValues.");
+ }
+ rwp.addVal( domain, simpleValues );
+ }
+}
+
/**
* Calculate the value, first and second derivatives of a least squares cost function
* @param leastSquares :: The least squares cost func to calculate the value for
@@ -123,5 +146,30 @@ void SeqDomain::leastSquaresValDerivHessian(const CostFuncLeastSquares& leastSqu
}
}
+/**
+ * Calculate the value, first and second derivatives of a RWP cost function
+ * @param rwp :: The rwp cost func to calculate the value for
+ * @param evalFunction :: Flag to evaluate the value of the cost function
+ * @param evalDeriv :: Flag to evaluate the first derivatives
+ * @param evalHessian :: Flag to evaluate the Hessian (second derivatives)
+ */
+void SeqDomain::rwpValDerivHessian(const CostFuncRwp& rwp, bool evalFunction, bool evalDeriv, bool evalHessian)
+{
+ API::FunctionDomain_sptr domain;
+ API::IFunctionValues_sptr values;
+ const size_t n = getNDomains();
+ for(size_t i = 0; i < n; ++i)
+ {
+ values.reset();
+ getDomainAndValues( i, domain, values );
+ auto simpleValues = boost::dynamic_pointer_cast<API::FunctionValues>(values);
+ if (!simpleValues)
+ {
+ throw std::runtime_error("Rwp: unsupported IFunctionValues.");
+ }
+ rwp.addValDerivHessian(rwp.getFittingFunction(),domain,simpleValues,evalFunction,evalDeriv,evalHessian);
+ }
+}
+
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Code/Mantid/Framework/CurveFitting/test/LeastSquaresTest.h b/Code/Mantid/Framework/CurveFitting/test/LeastSquaresTest.h
index 3b98a531ef4d93edc2b78d3acf24ee6c9e2803e0..9028e3f2bef90869474e5e0fcbd89c0c01ac552d 100644
--- a/Code/Mantid/Framework/CurveFitting/test/LeastSquaresTest.h
+++ b/Code/Mantid/Framework/CurveFitting/test/LeastSquaresTest.h
@@ -4,8 +4,10 @@
#include <cxxtest/TestSuite.h>
#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFuncRwp.h"
#include "MantidCurveFitting/SimplexMinimizer.h"
#include "MantidCurveFitting/BFGS_Minimizer.h"
+#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
#include "MantidCurveFitting/UserFunction.h"
#include "MantidCurveFitting/ExpDecay.h"
#include "MantidAPI/FunctionDomain1D.h"
@@ -50,6 +52,37 @@ public:
boost::shared_ptr<CostFuncLeastSquares> costFun(new CostFuncLeastSquares);
costFun->setFittingFunction(fun,domain,values);
+ SimplexMinimizer s;
+ s.initialize(costFun);
+ TS_ASSERT(s.minimize());
+ TS_ASSERT_DELTA(costFun->val(),0.0000,0.0001);
+ TS_ASSERT_DELTA(fun->getParameter("a"),3.3,0.01);
+ TS_ASSERT_DELTA(fun->getParameter("b"),4.4,0.01);
+ TS_ASSERT_EQUALS(s.getError(),"success");
+ }
+
+ void test_With_Simplex_Rwp()
+ {
+ std::vector<double> x(10),y(10), sqrty(10);
+ for(size_t i = 0; i < x.size(); ++i)
+ {
+ x[i] = 0.1 * double(i);
+ y[i] = 3.3 * x[i] + 4.4;
+ sqrty[i] = sqrt(fabs(y[i]));
+ }
+ API::FunctionDomain1D_sptr domain(new API::FunctionDomain1DVector(x));
+ API::FunctionValues_sptr values(new API::FunctionValues(*domain));
+ values->setFitData(y);
+ values->setFitWeights(sqrty);
+
+ boost::shared_ptr<UserFunction> fun(new UserFunction);
+ fun->setAttributeValue("Formula","a*x+b");
+ fun->setParameter("a",1.1);
+ fun->setParameter("b",2.2);
+
+ boost::shared_ptr<CostFuncRwp> costFun(new CostFuncRwp);
+ costFun->setFittingFunction(fun,domain,values);
+
SimplexMinimizer s;
s.initialize(costFun);
TS_ASSERT(s.minimize());
@@ -200,6 +233,40 @@ public:
}
+ void test_With_LM_Rwp()
+ {
+ std::vector<double> x(10),y(10), e(10);
+ for(size_t i = 0; i < x.size(); ++i)
+ {
+ x[i] = 0.1 * double(i);
+ y[i] = 9.9 * exp( -(x[i])/0.5 );
+ e[i] = 1./sqrt(y[i]);
+ }
+ API::FunctionDomain1D_sptr domain(new API::FunctionDomain1DVector(x));
+ API::FunctionValues_sptr values(new API::FunctionValues(*domain));
+ values->setFitData(y);
+ values->setFitWeights(e);
+
+ API::IFunction_sptr fun(new ExpDecay);
+ fun->setParameter("Height", 19.);
+ fun->setParameter("Lifetime", 0.1);
+
+ boost::shared_ptr<CostFuncRwp> costFun(new CostFuncRwp);
+ costFun->setFittingFunction(fun,domain,values);
+
+ LevenbergMarquardtMDMinimizer s;
+ s.initialize(costFun);
+
+ TS_ASSERT_DELTA(costFun->val(),0.64, 0.05);
+ TS_ASSERT(s.minimize());
+ TS_ASSERT_DELTA(costFun->val(),0.0000, 0.00001);
+
+ TS_ASSERT_DELTA(fun->getParameter("Height"), 9.9,0.01);
+ TS_ASSERT_DELTA(fun->getParameter("Lifetime"), 0.5,1e-9);
+ TS_ASSERT_EQUALS(s.getError(),"success");
+
+ }
+
void testDerivatives()
{
API::FunctionDomain1D_sptr domain(new API::FunctionDomain1DVector(79300.,79600.,41));
diff --git a/Code/Mantid/MantidQt/MantidWidgets/src/FitPropertyBrowser.cpp b/Code/Mantid/MantidQt/MantidWidgets/src/FitPropertyBrowser.cpp
index ec8b9f3eb88975104162605a6d5786ae7be32200..265028737e63781995121e337cba6dc22d5e2ea1 100644
--- a/Code/Mantid/MantidQt/MantidWidgets/src/FitPropertyBrowser.cpp
+++ b/Code/Mantid/MantidQt/MantidWidgets/src/FitPropertyBrowser.cpp
@@ -221,7 +221,7 @@ void FitPropertyBrowser::init()
m_enumManager->setEnumNames(m_minimizer, m_minimizers);
m_costFunction = m_enumManager->addProperty("Cost function");
- m_costFunctions << "Least squares";
+ m_costFunctions << "Least squares" << "Rwp";
//<< "Ignore positive peaks";
m_enumManager->setEnumNames(m_costFunction,m_costFunctions);