OpenMS  2.5.0
LevMarqFitter1D.h
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34 
35 #pragma once
36 
38 
39 #include <unsupported/Eigen/NonLinearOptimization>
40 
41 #include <algorithm>
42 
44 
45 namespace OpenMS
46 {
47 
51  class OPENMS_DLLAPI LevMarqFitter1D :
52  public Fitter1D
53  {
54 
55 public:
56 
57  typedef std::vector<double> ContainerType;
58 
60  //TODO: This is copy and paste from TraceFitter.h. Make a generic wrapper for LM optimization
62  {
63  public:
64  int inputs() const { return m_inputs; }
65  int values() const { return m_values; }
66 
67  GenericFunctor(int dimensions, int num_data_points)
68  : m_inputs(dimensions), m_values(num_data_points) {}
69 
70  virtual ~GenericFunctor() {}
71 
72  virtual int operator()(const Eigen::VectorXd &x, Eigen::VectorXd &fvec) = 0;
73 
74  // compute Jacobian matrix for the different parameters
75  virtual int df(const Eigen::VectorXd &x, Eigen::MatrixXd &J) = 0;
76 
77  protected:
78  const int m_inputs, m_values;
79  };
80 
83  Fitter1D()
84  {
85  this->defaults_.setValue("max_iteration", 500, "Maximum number of iterations using by Levenberg-Marquardt algorithm.", ListUtils::create<String>("advanced"));
86  }
87 
89  LevMarqFitter1D(const LevMarqFitter1D & source) :
90  Fitter1D(source),
91  max_iteration_(source.max_iteration_)
92  {
93  }
94 
96  ~LevMarqFitter1D() override
97  {
98  }
99 
101  virtual LevMarqFitter1D & operator=(const LevMarqFitter1D & source)
102  {
103  if (&source == this) return *this;
104 
105  Fitter1D::operator=(source);
106  max_iteration_ = source.max_iteration_;
107 
108  return *this;
109  }
110 
111 protected:
112 
117 
123  void optimize_(Eigen::VectorXd& x_init, GenericFunctor& functor);
124 
125  void updateMembers_() override;
126 
127  };
128 }
129 
OpenMS::LevMarqFitter1D::symmetric_
bool symmetric_
Parameter indicates symmetric peaks.
Definition: LevMarqFitter1D.h:114
Fitter1D.h
OpenMS::LevMarqFitter1D::GenericFunctor::values
int values() const
Definition: LevMarqFitter1D.h:65
ListUtils.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::LevMarqFitter1D::GenericFunctor
Definition: LevMarqFitter1D.h:61
OpenMS::LevMarqFitter1D
Abstract class for 1D-model fitter using Levenberg-Marquardt algorithm for parameter optimization.
Definition: LevMarqFitter1D.h:51
OpenMS::LevMarqFitter1D::ContainerType
std::vector< double > ContainerType
Definition: LevMarqFitter1D.h:57
int
OpenMS::LevMarqFitter1D::operator=
virtual LevMarqFitter1D & operator=(const LevMarqFitter1D &source)
assignment operator
Definition: LevMarqFitter1D.h:101
OpenMS::LevMarqFitter1D::LevMarqFitter1D
LevMarqFitter1D(const LevMarqFitter1D &source)
copy constructor
Definition: LevMarqFitter1D.h:89
OpenMS::LevMarqFitter1D::max_iteration_
Int max_iteration_
Maximum number of iterations.
Definition: LevMarqFitter1D.h:116
OpenMS::Fitter1D
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:58
OpenMS::LevMarqFitter1D::GenericFunctor::GenericFunctor
GenericFunctor(int dimensions, int num_data_points)
Definition: LevMarqFitter1D.h:67
OpenMS::LevMarqFitter1D::GenericFunctor::~GenericFunctor
virtual ~GenericFunctor()
Definition: LevMarqFitter1D.h:70
OpenMS::LevMarqFitter1D::GenericFunctor::m_values
const int m_values
Definition: LevMarqFitter1D.h:78
OpenMS::LevMarqFitter1D::GenericFunctor::inputs
int inputs() const
Definition: LevMarqFitter1D.h:64
OpenMS::Fitter1D::operator=
virtual Fitter1D & operator=(const Fitter1D &source)
assignment operator
OpenMS::LevMarqFitter1D::~LevMarqFitter1D
~LevMarqFitter1D() override
destructor
Definition: LevMarqFitter1D.h:96
OpenMS::LevMarqFitter1D::LevMarqFitter1D
LevMarqFitter1D()
Default constructor.
Definition: LevMarqFitter1D.h:82