| OpenMS 2.5.0

Fitter1D.h
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/DATASTRUCTURES/IsotopeCluster.h>
38 #include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
39 #include <OpenMS/KERNEL/Feature.h>
40 #include <OpenMS/KERNEL/Peak1D.h>
41 #include <OpenMS/MATH/STATISTICS/BasicStatistics.h>
42 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderDefs.h>
43
44 namespace OpenMS
45 {
46 class InterpolationModel;
47
58 class OPENMS_DLLAPI Fitter1D :
59 public DefaultParamHandler,
60 public FeatureFinderDefs
61 {
62 public:
63
65 typedef IsotopeCluster::IndexSet IndexSet;
67 typedef IsotopeCluster::ChargedIndexSet ChargedIndexSet;
69 typedef Feature::CoordinateType CoordinateType;
71 typedef Feature::QualityType QualityType;
73 typedef Peak1D PeakType;
75 typedef std::vector<PeakType> RawDataArrayType;
77 typedef RawDataArrayType::iterator PeakIterator;
78
80 Fitter1D();
81
83 Fitter1D(const Fitter1D& source);
84
86 ~Fitter1D() override
87 {
88 }
89
91 virtual Fitter1D& operator=(const Fitter1D& source);
92
94 virtual QualityType fit1d(const RawDataArrayType& /* range */, InterpolationModel*& /* model */);
95
97 static void registerChildren();
98
99 protected:
100
102 CoordinateType tolerance_stdev_box_;
104 Math::BasicStatistics<> statistics_;
106 CoordinateType interpolation_step_;
107
108 void updateMembers_() override;
109
110 };
111
112 }
113
IsotopeCluster.h
OpenMS::Fitter1D::ChargedIndexSet
IsotopeCluster::ChargedIndexSet ChargedIndexSet
IndexSet with charge information.
Definition: Fitter1D.h:67
OpenMS::Fitter1D
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:58
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
Feature.h
OpenMS::Math::BasicStatistics
Calculates some basic statistical parameters of a distribution: sum, mean, variance, and provides the normal approximation.
Definition: BasicStatistics.h:67
OpenMS::InterpolationModel
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:54
BasicStatistics.h
FeatureFinderDefs.h
Peak1D.h
OpenMS::Peak2D::CoordinateType
double CoordinateType
Coordinate type (of the position)
Definition: Peak2D.h:64
OpenMS::Peak1D
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:54
OpenMS::Fitter1D::CoordinateType
Feature::CoordinateType CoordinateType
Single coordinate.
Definition: Fitter1D.h:69
OpenMS::IsotopeCluster::IndexSet
std::set< IndexPair > IndexSet
A set of index pairs, usually referring to an MSExperiment.
Definition: IsotopeCluster.h:49
OpenMS::Fitter1D::statistics_
Math::BasicStatistics statistics_
basic statistics
Definition: Fitter1D.h:104
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::FeatureFinderDefs
The purpose of this struct is to provide definitions of classes and typedefs which are used throughou...
Definition: FeatureFinderDefs.h:50
OpenMS::Fitter1D::PeakIterator
RawDataArrayType::iterator PeakIterator
Peak type data iterator.
Definition: Fitter1D.h:77
OpenMS::IsotopeCluster::ChargedIndexSet
index set with associated charge estimate
Definition: IsotopeCluster.h:52
OpenMS::Fitter1D::~Fitter1D
~Fitter1D() override
destructor
Definition: Fitter1D.h:86
DefaultParamHandler.h
float
OpenMS::Fitter1D::interpolation_step_
CoordinateType interpolation_step_
interpolation step size
Definition: Fitter1D.h:106
OpenMS::Fitter1D::RawDataArrayType
std::vector< PeakType > RawDataArrayType
Peak type data container type using for the temporary storage of the input data.
Definition: Fitter1D.h:75
OpenMS::Fitter1D::IndexSet
IsotopeCluster::IndexSet IndexSet
IndexSet.
Definition: Fitter1D.h:65
OpenMS::Fitter1D::tolerance_stdev_box_
CoordinateType tolerance_stdev_box_
standard derivation in bounding box
Definition: Fitter1D.h:102
OpenMS::Fitter1D::QualityType
Feature::QualityType QualityType
Quality of a feature.
Definition: Fitter1D.h:71
OpenMS::Fitter1D::PeakType
Peak1D PeakType
Peak type data point type.
Definition: Fitter1D.h:73