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[Math] Avoid using std::map in Math::FitResult and fix logic #20722

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guitargeek merged 2 commits into from
Dec 16, 2025
Merged

[Math] Avoid using std::map in Math::FitResult and fix logic #20722

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[Math] Avoid using `std::map` in Math::FitResult and fix logic
guitargeek Dec 15, 2025
919a780
[Math] Some code modernization of the `Fitter` classes
guitargeek Dec 15, 2025
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55 changes: 21 additions & 34 deletions math/mathcore/inc/Fit/FitResult.h
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Original file line number Diff line number Diff line change
Expand Up @@ -22,18 +22,15 @@
#include <cmath>
#include <memory>

namespace ROOT {
namespace ROOT::Math {
class Minimizer;
}

namespace Math {
class Minimizer;
}


namespace Fit {
namespace ROOT::Fit {

class FitConfig;
class FitData;
class BinData;
class FitConfig;
class FitData;
class BinData;

//___________________________________________________________________________________
/**
Expand All @@ -53,7 +50,7 @@ class FitResult {
/**
Default constructor for an empty (non valid) fit result
*/
FitResult ();
FitResult() = default;

/**
Constructor from a fit-config for a dummy fit
Expand All @@ -63,9 +60,6 @@ class FitResult {

// default copy constructor and assignment can be used

/**
Destructor
*/
virtual ~FitResult () {}


Expand Down Expand Up @@ -340,22 +334,22 @@ class FitResult {
friend class Fitter;


bool fValid; ///< flag for indicating valid fit
bool fNormalized; ///< flag for indicating is errors are normalized
unsigned int fNFree; ///< number of fit free parameters (total parameters are in size of parameter vector)
unsigned int fNdf; ///< number of degree of freedom
unsigned int fNCalls; ///< number of function calls
int fStatus; ///< minimizer status code
int fCovStatus; ///< covariance matrix status code
double fVal; ///< minimum function value
double fEdm; ///< expected distance from minimum
double fChi2; ///< fit chi2 value (different than fval in case of chi2 fits)
bool fValid = false; ///< flag for indicating valid fit
bool fNormalized = false; ///< flag for indicating is errors are normalized
unsigned int fNFree = 0; ///< number of fit free parameters (total parameters are in size of parameter vector)
unsigned int fNdf = 0; ///< number of degree of freedom
unsigned int fNCalls = 0; ///< number of function calls
int fStatus = -1; ///< minimizer status code
int fCovStatus = 0; ///< covariance matrix status code
double fVal = 0; ///< minimum function value
double fEdm = -1; ///< expected distance from minimum
double fChi2 = -1; ///< fit chi2 value (different than fval in case of chi2 fits)
std::shared_ptr<ROOT::Math::Minimizer> fMinimizer; ///<! minimizer object used for fitting
std::shared_ptr<ROOT::Math::IMultiGenFunction> fObjFunc; ///<! objective function used for fitting
std::shared_ptr<IModelFunction> fFitFunc; ///<! model function resulting from the fit.
std::shared_ptr<FitData> fFitData; ///<! data set used in the fit
std::map<unsigned int, bool> fFixedParams; ///< list of fixed parameters
std::map<unsigned int, unsigned int> fBoundParams; ///< list of limited parameters
std::vector<bool> fFixedParams; ///< if parameters are fixed
std::vector<unsigned int> fBoundParams; ///< if parameters are limited
std::vector<std::pair<double,double> > fParamBounds; ///< parameter bounds
std::vector<double> fParams; ///< parameter values. Size is total number of parameters
std::vector<double> fErrors; ///< errors
Expand All @@ -367,13 +361,6 @@ class FitResult {

};


} // end namespace Fit

} // end namespace ROOT




} // namespace ROOT::Fit

#endif /* ROOT_Fit_FitResult */
132 changes: 45 additions & 87 deletions math/mathcore/inc/Fit/Fitter.h
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Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,6 @@
* *
**********************************************************************/

// Header file for class Fitter

#ifndef ROOT_Fit_Fitter
#define ROOT_Fit_Fitter

Expand All @@ -25,34 +23,35 @@ Classes used for fitting (regression analysis) and estimation of parameter value
*/

#include "Fit/BinData.h"
#include "Fit/UnBinData.h"
#include "Fit/FitConfig.h"
#include "ROOT/EExecutionPolicy.hxx"
#include "Fit/FitResult.h"
#include "Fit/UnBinData.h"
#include "Math/IParamFunction.h"
#include <memory>
#include "Math/WrappedFunction.h"
#include "ROOT/EExecutionPolicy.hxx"

namespace ROOT {
#include <memory>

namespace ROOT::Math {

namespace Math {
class Minimizer;
class Minimizer;

// should maybe put this in a FitMethodFunctionfwd file
template<class FunctionType> class BasicFitMethodFunction;
// should maybe put this in a FitMethodFunctionfwd file
template <class FunctionType>
class BasicFitMethodFunction;

// define the normal and gradient function
typedef BasicFitMethodFunction<ROOT::Math::IMultiGenFunction> FitMethodFunction;
typedef BasicFitMethodFunction<ROOT::Math::IMultiGradFunction> FitMethodGradFunction;
// define the normal and gradient function
typedef BasicFitMethodFunction<ROOT::Math::IMultiGenFunction> FitMethodFunction;
typedef BasicFitMethodFunction<ROOT::Math::IMultiGradFunction> FitMethodGradFunction;

}
} // namespace ROOT::Math

/**
Namespace for the fitting classes
@ingroup Fit
*/

namespace Fit {
namespace ROOT::Fit {

/**
@defgroup FitMain User Fitting classes
Expand Down Expand Up @@ -265,7 +264,9 @@ class Fitter {
For the options see documentation for following methods FitFCN(IMultiGenFunction & fcn,..)
*/
template <class Function>
bool FitFCN(unsigned int npar, Function & fcn, const double * params = nullptr, unsigned int dataSize = 0, int fitType = 0);
bool FitFCN(unsigned int npar, Function & fcn, const double * params = nullptr, unsigned int dataSize = 0, int fitType = 0) {
return DoSetFCN(false, ROOT::Math::WrappedMultiFunction<Function &>{fcn, npar}, params, dataSize, fitType) ? FitFCN() : false;
}

/**
Set a generic FCN function as a C++ callable object implementing
Expand All @@ -274,7 +275,9 @@ class Fitter {
For the options see documentation for following methods FitFCN(IMultiGenFunction & fcn,..)
*/
template <class Function>
bool SetFCN(unsigned int npar, Function & fcn, const double * params = nullptr, unsigned int dataSize = 0, int fitType = 0);
bool SetFCN(unsigned int npar, Function & fcn, const double * params = nullptr, unsigned int dataSize = 0, int fitType = 0) {
return DoSetFCN(false, ROOT::Math::WrappedMultiFunction<Function &>{fcn, npar}, params, dataSize, fitType);
}

/**
Fit using the given FCN function represented by a multi-dimensional function interface
Expand Down Expand Up @@ -527,70 +530,49 @@ class Fitter {
/// Set the input data for the fit (Copying the given data object)
template <class Data>
void SetData(const Data & data) {
auto dataClone = std::make_shared<Data>(data);
SetData(dataClone);
SetData(std::make_shared<Data>(data));
}

/// internal functions to get data set and model function from FCN
/// useful for fits done with customized FCN classes
template <class ObjFuncType>
bool GetDataFromFCN();
bool GetDataFromFCN() {
if (const ObjFuncType *objfunc = dynamic_cast<const ObjFuncType *>(ObjFunction())) {
fFunc = objfunc->ModelFunctionPtr();
fData = objfunc->DataPtr();
return true;
}
return false;
}

/// Return pointer to the used objective function for fitting.
/// If using an external function (e.g. given in SetFCN), return the cached pointer,
/// otherwise use the one stored as shared ptr and managed by the Fitter class
const ROOT::Math::IBaseFunctionMultiDimTempl<double> * ObjFunction() const {
// need to specify here full return type since when using the typedef (IMultiGenFunction)
// there is an error when using the class in Python (see issue #12391)
return (fExtObjFunction) ? fExtObjFunction : fObjFunction.get();
return fExtObjFunction ? fExtObjFunction : fObjFunction.get();
}

private:

bool fUseGradient = false; ///< flag to indicate if using gradient or not

bool fBinFit = false; ///< flag to indicate if fit is binned
///< in case of false the fit is unbinned or undefined)
///< flag it is used to compute chi2 for binned likelihood fit

int fFitType = 0; ///< type of fit (0 undefined, 1 least square, 2 likelihood, 3 binned likelihood)

int fDataSize = 0; ///< size of data sets (need for Fumili or LM fitters)

FitConfig fConfig; ///< fitter configuration (options and parameter settings)

std::shared_ptr<IModelFunction_v> fFunc_v; ///<! copy of the fitted function containing on output the fit result

std::shared_ptr<IModelFunction> fFunc; ///<! copy of the fitted function containing on output the fit result

std::shared_ptr<ROOT::Fit::FitResult> fResult; ///<! pointer to the object containing the result of the fit

std::shared_ptr<ROOT::Math::Minimizer> fMinimizer; ///<! pointer to used minimizer

std::shared_ptr<ROOT::Fit::FitData> fData; ///<! pointer to the fit data (binned or unbinned data)

std::shared_ptr<ROOT::Math::IMultiGenFunction> fObjFunction; ///<! pointer to used objective function

const ROOT::Math::IMultiGenFunction * fExtObjFunction = nullptr; ///<! pointer to an external FCN

bool fUseGradient = false; ///< flag to indicate if using gradient or not
bool fBinFit = false; ///< flag to indicate if fit is binned
///< in case of false the fit is unbinned or undefined)
///< flag it is used to compute chi2 for binned likelihood fit
int fFitType = 0; ///< type of fit (0 undefined, 1 least square, 2 likelihood, 3 binned likelihood)
int fDataSize = 0; ///< size of data sets (need for Fumili or LM fitters)
FitConfig fConfig; ///< fitter configuration (options and parameter settings)
std::shared_ptr<IModelFunction_v> fFunc_v; ///<! copy of the fitted function containing on output the fit result
std::shared_ptr<IModelFunction> fFunc; ///<! copy of the fitted function containing on output the fit result
std::shared_ptr<ROOT::Fit::FitResult> fResult; ///<! pointer to the object containing the result of the fit
std::shared_ptr<ROOT::Math::Minimizer> fMinimizer; ///<! pointer to used minimizer
std::shared_ptr<ROOT::Fit::FitData> fData; ///<! pointer to the fit data (binned or unbinned data)
std::shared_ptr<ROOT::Math::IMultiGenFunction> fObjFunction; ///<! pointer to used objective function
const ROOT::Math::IMultiGenFunction *fExtObjFunction = nullptr; ///<! pointer to an external FCN
};


// internal functions to get data set and model function from FCN
// useful for fits done with customized FCN classes
template <class ObjFuncType>
bool Fitter::GetDataFromFCN() {
const ObjFuncType * objfunc = dynamic_cast<const ObjFuncType*>(ObjFunction());
if (objfunc) {
fFunc = objfunc->ModelFunctionPtr();
fData = objfunc->DataPtr();
return true;
}
else {
return false;
}
}

#ifdef R__HAS_VECCORE
template <class NotCompileIfScalarBackend>
void Fitter::SetFunction(const IModelFunction_v &func, bool useGradient)
Expand Down Expand Up @@ -633,30 +615,6 @@ void Fitter::SetFunction(const IGradModelFunction_v &func, bool useGradient)
}
#endif

} // end namespace Fit

} // end namespace ROOT

// implementation of inline methods



#include "Math/WrappedFunction.h"

template<class Function>
bool ROOT::Fit::Fitter::FitFCN(unsigned int npar, Function & f, const double * par, unsigned int datasize,int fitType) {
ROOT::Math::WrappedMultiFunction<Function &> wf(f,npar);
if (!DoSetFCN(false, wf, par, datasize, fitType))
return false;
return FitFCN();
}
template<class Function>
bool ROOT::Fit::Fitter::SetFCN(unsigned int npar, Function & f, const double * par, unsigned int datasize,int fitType) {
ROOT::Math::WrappedMultiFunction<Function &> wf(f,npar);
return DoSetFCN(false, wf, par, datasize, fitType);
}



} // namespace ROOT::Fit

#endif /* ROOT_Fit_Fitter */
13 changes: 2 additions & 11 deletions math/mathcore/inc/Fit/ParameterSettings.h
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Original file line number Diff line number Diff line change
Expand Up @@ -8,17 +8,12 @@
* *
**********************************************************************/

// Header file for class ParameterSettings

#ifndef ROOT_Fit_ParameterSettings
#define ROOT_Fit_ParameterSettings

#include <string>

namespace ROOT {

namespace Fit {

namespace ROOT::Fit {

//___________________________________________________________________________________
/**
Expand Down Expand Up @@ -155,12 +150,8 @@ class ParameterSettings {
bool fHasUpperLimit = false; ///< flag to control upper parameter limit

std::string fName; ///< parameter name

};

} // end namespace Fit

} // end namespace ROOT

} // namespace ROOT::Fit

#endif /* ROOT_Fit_ParameterSettings */
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