CostFuncFitting.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2010 ISIS Rutherford Appleton Laboratory UKRI,
//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
 
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/ICostFunction.h"
#include "MantidAPI/IFunction.h"
#include "MantidCurveFitting/DllConfig.h"
#include "MantidCurveFitting/EigenMatrix.h"
#include "MantidCurveFitting/EigenVector.h"
 
namespace Mantid {
namespace CurveFitting {
class SeqDomain;
class ParDomain;
namespace CostFunctions {
class MANTID_CURVEFITTING_DLL CostFuncFitting : public API::ICostFunction {
public:
  CostFuncFitting();
  size_t nParams() const override;
  double getParameter(size_t i) const override;
  void setParameter(size_t i, const double &value) override;
  std::string parameterName(size_t i) const;
  void setParameters(const EigenVector &params);
  void getParameters(EigenVector &params) const;
 
  virtual double val() const override;
  virtual void deriv(std::vector<double> &der) const override;
  virtual double valAndDeriv(std::vector<double> &der) const override;
  virtual double valDerivHessian(bool evalDeriv = true, bool evalHessian = true) const;
  const EigenVector &getDeriv() const;
  const EigenMatrix &getHessian() const;
  void push();
  void pop();
  void drop();
 
  virtual void setFittingFunction(API::IFunction_sptr function, API::FunctionDomain_sptr domain,
                                  API::FunctionValues_sptr values);
  virtual API::IFunction_sptr getFittingFunction() const { return m_function; }
  virtual void calCovarianceMatrix(EigenMatrix &covar, double epsrel = 1e-8);
 
  virtual void calFittingErrors(const EigenMatrix &covar, double chi2);
  API::FunctionDomain_sptr getDomain() const { return m_domain; }
  API::FunctionValues_sptr getValues() const { return m_values; }
  void applyTies();
  void reset() const;
 
  void setIgnoreInvalidData(bool ignoreInvalidData) { m_ignoreInvalidData = ignoreInvalidData; }
 
protected:
  virtual void calActiveCovarianceMatrix(EigenMatrix &covar, double epsrel = 1e-8);
  virtual void addVal(API::FunctionDomain_sptr domain, API::FunctionValues_sptr values) const = 0;
 
  virtual void addValDerivHessian(API::IFunction_sptr function, API::FunctionDomain_sptr domain,
                                  API::FunctionValues_sptr values, bool evalDeriv = true,
                                  bool evalHessian = true) const = 0;
 
  virtual void updateValidateFitWeights() {};
 
  bool isValid() const;
  void checkValidity() const;
  void calTransformationMatrixNumerically(EigenMatrix &tm);
  void setDirty();
  void validateNegativeFitWeights();
 
  API::IFunction_sptr m_function;
  API::FunctionDomain_sptr m_domain;
  API::FunctionValues_sptr m_values;
  mutable std::vector<size_t> m_indexMap;
  mutable size_t m_numberFunParams;
 
  mutable bool m_dirtyVal;
  mutable bool m_dirtyDeriv;
  mutable bool m_dirtyHessian;
 
  bool m_includePenalty;
 
  mutable double m_value;
  mutable EigenVector m_der;
  mutable EigenMatrix m_hessian;
 
  mutable bool m_pushed;
  mutable double m_pushedValue;
  mutable EigenVector m_pushedParams;
 
  bool m_ignoreInvalidData;
 
  friend class CurveFitting::SeqDomain;
  friend class CurveFitting::ParDomain;
};
 
} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid