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IsotopeFitter1D.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- 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
13namespace OpenMS
14{
20 class OPENMS_DLLAPI IsotopeFitter1D :
22 {
23public:
24
27
30
32 ~IsotopeFitter1D() override;
33
35 virtual IsotopeFitter1D & operator=(const IsotopeFitter1D & source);
36
38 QualityType fit1d(const RawDataArrayType & range, std::unique_ptr<InterpolationModel>& model) override;
39
40protected:
41
48
49 void updateMembers_() override;
50 };
51}
52
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
Isotope distribution fitter (1-dim.) approximated using linear interpolation.
Definition IsotopeFitter1D.h:22
CoordinateType isotope_stdev_
standard derivation in isotope
Definition IsotopeFitter1D.h:45
IsotopeFitter1D(const IsotopeFitter1D &source)
copy constructor
QualityType fit1d(const RawDataArrayType &range, std::unique_ptr< InterpolationModel > &model) override
return interpolation model
IsotopeFitter1D()
Default constructor.
~IsotopeFitter1D() override
destructor
virtual IsotopeFitter1D & operator=(const IsotopeFitter1D &source)
assignment operator
void updateMembers_() override
This method is used to update extra member variables at the end of the setParameters() method.
CoordinateType charge_
isotope charge
Definition IsotopeFitter1D.h:43
Int max_isotope_
maximum isotopic rank to be considered
Definition IsotopeFitter1D.h:47
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