OpenMS
IsotopeFitter1D.h
Go to the documentation of this file.
1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2023.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
38 
39 namespace OpenMS
40 {
46  class OPENMS_DLLAPI IsotopeFitter1D :
47  public MaxLikeliFitter1D
48  {
49 public:
50 
53 
56 
58  ~IsotopeFitter1D() override;
59 
61  virtual IsotopeFitter1D & operator=(const IsotopeFitter1D & source);
62 
64  static Fitter1D * create()
65  {
66  return new IsotopeFitter1D();
67  }
68 
70  static const String getProductName()
71  {
72  return "IsotopeFitter1D";
73  }
74 
76  QualityType fit1d(const RawDataArrayType & range, std::unique_ptr<InterpolationModel>& model) override;
77 
78 protected:
79 
86 
87  void updateMembers_() override;
88  };
89 }
90 
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:60
std::vector< PeakType > RawDataArrayType
Peak type data container type using for the temporary storage of the input data.
Definition: Fitter1D.h:73
Feature::QualityType QualityType
Quality of a feature.
Definition: Fitter1D.h:69
Feature::CoordinateType CoordinateType
Single coordinate.
Definition: Fitter1D.h:67
Isotope distribution fitter (1-dim.) approximated using linear interpolation.
Definition: IsotopeFitter1D.h:48
static Fitter1D * create()
create new IsotopeFitter1D object (function needed by Factory)
Definition: IsotopeFitter1D.h:64
CoordinateType isotope_stdev_
standard derivation in isotope
Definition: IsotopeFitter1D.h:83
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
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:81
Int max_isotope_
maximum isotopic rank to be considered
Definition: IsotopeFitter1D.h:85
virtual IsotopeFitter1D & operator=(const IsotopeFitter1D &source)
assignment operator
static const String getProductName()
name of the model (needed by Factory)
Definition: IsotopeFitter1D.h:70
Abstract base class for all 1D-model fitters using maximum likelihood optimization.
Definition: MaxLikeliFitter1D.h:47
A more convenient string class.
Definition: String.h:60
int Int
Signed integer type.
Definition: Types.h:102
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48