35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_TRACEFITTER_H 36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_TRACEFITTER_H 73 virtual int operator()(
const Eigen::VectorXd& x, Eigen::VectorXd& fvec) = 0;
75 virtual int df(
const Eigen::VectorXd& x, Eigen::MatrixXd& J) = 0;
101 virtual double getLowerRTBound()
const = 0;
106 virtual double getUpperRTBound()
const = 0;
111 virtual double getHeight()
const = 0;
116 virtual double getCenter()
const = 0;
121 virtual double getFWHM()
const = 0;
126 virtual double getValue(
double rt)
const = 0;
142 virtual bool checkMinimalRTSpan(
const std::pair<double, double>& rt_bounds,
const double min_rt_span) = 0;
149 virtual bool checkMaximalRTSpan(
const double max_rt_span) = 0;
154 virtual double getArea() = 0;
174 virtual void updateMembers_();
181 virtual void getOptimizedParameters_(
const Eigen::VectorXd&) = 0;
196 #endif // #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_TRACEFITTER_H Definition: TraceFitter.h:63
A more convenient string class.
Definition: String.h:57
Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:110
Abstract fitter for RT profile fitting.
Definition: TraceFitter.h:56
ptrdiff_t SignedSize
Signed Size type e.g. used as pointer difference.
Definition: Types.h:135
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
FeatureFinderAlgorithmPickedHelperStructs::MassTraces * traces_ptr
Definition: TraceFitter.h:170
Definition: TraceFitter.h:168
const int m_values
Definition: TraceFitter.h:78
SignedSize max_iterations_
Maximum number of iterations.
Definition: TraceFitter.h:188
bool weighted_
Whether to weight mass traces by theoretical intensity during the optimization.
Definition: TraceFitter.h:190
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
bool weighted
Definition: TraceFitter.h:171
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:80