OpenMS  2.6.0
ExtendedIsotopeFitter1D.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 2002-2020.
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 ExtendedIsotopeFitter1D :
47  public MaxLikeliFitter1D
48  {
49 public:
50 
53 
56 
58  ~ExtendedIsotopeFitter1D() override;
59 
61  virtual ExtendedIsotopeFitter1D & operator=(const ExtendedIsotopeFitter1D & source);
62 
64  static Fitter1D * create()
65  {
66  return new ExtendedIsotopeFitter1D();
67  }
68 
70  static const String getProductName()
71  {
72  return "ExtendedIsotopeFitter1D";
73  }
74 
76  QualityType fit1d(const RawDataArrayType & range, InterpolationModel * & model) override;
77 
78 protected:
79 
88 
89  void updateMembers_() override;
90  };
91 }
92 
OpenMS::ExtendedIsotopeFitter1D::max_isotope_
Int max_isotope_
maximum isotopic rank to be considered
Definition: ExtendedIsotopeFitter1D.h:87
OpenMS::String
A more convenient string class.
Definition: String.h:59
OpenMS::ExtendedIsotopeFitter1D::monoisotopic_mz_
CoordinateType monoisotopic_mz_
monoisotopic mass
Definition: ExtendedIsotopeFitter1D.h:85
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
int
OpenMS::InterpolationModel
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:54
OpenMS::ExtendedIsotopeFitter1D
Extended isotope distribution fitter (1-dim.) approximated using linear interpolation.
Definition: ExtendedIsotopeFitter1D.h:46
OpenMS::Fitter1D
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:58
OpenMS::Fitter1D::CoordinateType
Feature::CoordinateType CoordinateType
Single coordinate.
Definition: Fitter1D.h:69
OpenMS::ExtendedIsotopeFitter1D::create
static Fitter1D * create()
create new ExtendedIsotopeFitter1D object (function needed by Factory)
Definition: ExtendedIsotopeFitter1D.h:64
OpenMS::ExtendedIsotopeFitter1D::getProductName
static const String getProductName()
name of the model (needed by Factory)
Definition: ExtendedIsotopeFitter1D.h:70
OpenMS::ExtendedIsotopeFitter1D::isotope_stdev_
CoordinateType isotope_stdev_
standard derivation in isotope
Definition: ExtendedIsotopeFitter1D.h:83
OpenMS::MaxLikeliFitter1D
Abstract base class for all 1D-model fitters using maximum likelihood optimization.
Definition: MaxLikeliFitter1D.h:47
OpenMS::ExtendedIsotopeFitter1D::charge_
CoordinateType charge_
isotope charge
Definition: ExtendedIsotopeFitter1D.h:81
MaxLikeliFitter1D.h