OpenMS
ExtendedIsotopeFitter1D.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 
12 
13 namespace OpenMS
14 {
20  class OPENMS_DLLAPI ExtendedIsotopeFitter1D :
21  public MaxLikeliFitter1D
22  {
23 public:
24 
27 
30 
33 
36 
38  QualityType fit1d(const RawDataArrayType & range, std::unique_ptr<InterpolationModel>& model) override;
39 
40 protected:
41 
50 
51  void updateMembers_() override;
52  };
53 }
54 
Extended isotope distribution fitter (1-dim.) approximated using linear interpolation.
Definition: ExtendedIsotopeFitter1D.h:22
CoordinateType isotope_stdev_
standard derivation in isotope
Definition: ExtendedIsotopeFitter1D.h:45
CoordinateType monoisotopic_mz_
monoisotopic mass
Definition: ExtendedIsotopeFitter1D.h:47
ExtendedIsotopeFitter1D(const ExtendedIsotopeFitter1D &source)
copy constructor
QualityType fit1d(const RawDataArrayType &range, std::unique_ptr< InterpolationModel > &model) override
return interpolation model
virtual ExtendedIsotopeFitter1D & operator=(const ExtendedIsotopeFitter1D &source)
assignment operator
void updateMembers_() override
This method is used to update extra member variables at the end of the setParameters() method.
~ExtendedIsotopeFitter1D() override
destructor
CoordinateType charge_
isotope charge
Definition: ExtendedIsotopeFitter1D.h:43
Int max_isotope_
maximum isotopic rank to be considered
Definition: ExtendedIsotopeFitter1D.h:49
ExtendedIsotopeFitter1D()
Default constructor.
std::vector< PeakType > RawDataArrayType
Peak type data container type using for the temporary storage of the input data.
Definition: Fitter1D.h:43
Feature::QualityType QualityType
Quality of a feature.
Definition: Fitter1D.h:39
Feature::CoordinateType CoordinateType
Single coordinate.
Definition: Fitter1D.h:37
Abstract base class for all 1D-model fitters using maximum likelihood optimization.
Definition: MaxLikeliFitter1D.h:21
int Int
Signed integer type.
Definition: Types.h:72
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19