72 virtual int operator()(
const Eigen::VectorXd& x, Eigen::VectorXd& fvec) = 0;
74 virtual int df(
const Eigen::VectorXd& x, Eigen::MatrixXd& J) = 0;
100 virtual double getLowerRTBound()
const = 0;
105 virtual double getUpperRTBound()
const = 0;
110 virtual double getHeight()
const = 0;
115 virtual double getCenter()
const = 0;
120 virtual double getFWHM()
const = 0;
125 virtual double getValue(
double rt)
const = 0;
141 virtual bool checkMinimalRTSpan(
const std::pair<double, double>& rt_bounds,
const double min_rt_span) = 0;
148 virtual bool checkMaximalRTSpan(
const double max_rt_span) = 0;
153 virtual double getArea() = 0;
173 void updateMembers_()
override;
180 virtual void getOptimizedParameters_(
const Eigen::VectorXd&) = 0;
Definition: TraceFitter.h:62
A more convenient string class.
Definition: String.h:57
Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:109
Abstract fitter for RT profile fitting.
Definition: TraceFitter.h:55
ptrdiff_t SignedSize
Signed Size type e.g. used as pointer difference.
Definition: Types.h:134
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
FeatureFinderAlgorithmPickedHelperStructs::MassTraces * traces_ptr
Definition: TraceFitter.h:169
Definition: TraceFitter.h:167
const int m_values
Definition: TraceFitter.h:77
SignedSize max_iterations_
Maximum number of iterations.
Definition: TraceFitter.h:187
bool weighted_
Whether to weight mass traces by theoretical intensity during the optimization.
Definition: TraceFitter.h:189
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
bool weighted
Definition: TraceFitter.h:170
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:79