OpenMS
Fitter1D.h
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1 // Copyright (c) 2002-present, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
13 #include <OpenMS/KERNEL/Feature.h>
14 #include <OpenMS/KERNEL/Peak1D.h>
16 #include <memory>
17 
18 namespace OpenMS
19 {
20  class InterpolationModel;
21 
29  class OPENMS_DLLAPI Fitter1D : public DefaultParamHandler
30  {
31  public:
41  typedef Peak1D PeakType;
43  typedef std::vector<PeakType> RawDataArrayType;
45  typedef RawDataArrayType::iterator PeakIterator;
46 
49 
51  Fitter1D(const Fitter1D& source);
52 
54  ~Fitter1D() override;
55 
57  Fitter1D& operator=(const Fitter1D& source);
58 
60  virtual QualityType fit1d(const RawDataArrayType& /* range */, std::unique_ptr<InterpolationModel>& /* model */);
61 
62 
63 
64  protected:
71 
72  void updateMembers_() override;
73  };
74 
75 } // namespace OpenMS
float QualityType
Definition: BaseFeature.h:38
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:66
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:30
RawDataArrayType::iterator PeakIterator
Peak type data iterator.
Definition: Fitter1D.h:45
std::vector< PeakType > RawDataArrayType
Peak type data container type using for the temporary storage of the input data.
Definition: Fitter1D.h:43
Fitter1D()
Default constructor.
Fitter1D(const Fitter1D &source)
copy constructor
~Fitter1D() override
destructor
Feature::QualityType QualityType
Quality of a feature.
Definition: Fitter1D.h:39
CoordinateType tolerance_stdev_box_
standard derivation in bounding box
Definition: Fitter1D.h:66
virtual QualityType fit1d(const RawDataArrayType &, std::unique_ptr< InterpolationModel > &)
return interpolation model
Feature::CoordinateType CoordinateType
Single coordinate.
Definition: Fitter1D.h:37
CoordinateType interpolation_step_
interpolation step size
Definition: Fitter1D.h:70
void updateMembers_() override
This method is used to update extra member variables at the end of the setParameters() method.
Peak1D PeakType
Peak type data point type.
Definition: Fitter1D.h:41
Fitter1D & operator=(const Fitter1D &source)
assignment operator
Math::BasicStatistics statistics_
basic statistics
Definition: Fitter1D.h:68
IsotopeCluster::ChargedIndexSet ChargedIndexSet
IndexSet with charge information.
Definition: Fitter1D.h:35
IsotopeCluster::IndexSet IndexSet
IndexSet.
Definition: Fitter1D.h:33
Calculates some basic statistical parameters of a distribution: sum, mean, variance,...
Definition: BasicStatistics.h:43
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:28
double CoordinateType
Coordinate type (of the position)
Definition: Peak2D.h:38
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
index set with associated charge estimate
Definition: IsotopeCluster.h:28
std::set< IndexPair > IndexSet
A set of index pairs, usually referring to an MSExperiment.
Definition: IsotopeCluster.h:23