OpenMS  2.6.0
FeatureFinderAlgorithmMRM.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: Andreas Bertsch $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
38 
39 namespace OpenMS
40 {
41  class InterpolationModel;
42 
59  class OPENMS_DLLAPI FeatureFinderAlgorithmMRM :
61  public FeatureFinderDefs
62  {
63 public:
65 
70 
76 
77 public:
78 
79  enum
80  {
81  RT = Peak2D::RT,
83  };
84 
87 
89  void run() override;
90 
91  static FeatureFinderAlgorithm* create();
92 
93  static const String getProductName();
94 
95 protected:
96 
97  double fitRT_(std::vector<Peak1D>& rt_input_data, InterpolationModel*& model) const;
98 
99  //Docu in base class
100  void updateMembers_() override;
101  };
102 
103 } // namespace OpenMS
104 
OpenMS::FeatureFinderAlgorithmMRM
FeatureFinderAlgorithm for MRM experiments.
Definition: FeatureFinderAlgorithmMRM.h:59
OpenMS::FeatureFinderDefs
The purpose of this struct is to provide definitions of classes and typedefs which are used throughou...
Definition: FeatureFinderDefs.h:50
OpenMS::FeatureFinderAlgorithmMRM::SpectrumType
MapType::SpectrumType SpectrumType
Definition: FeatureFinderAlgorithmMRM.h:67
OpenMS::FeatureFinderAlgorithm::ff_
FeatureFinder * ff_
Pointer to the calling FeatureFinder that is used to access the feature flags.
Definition: FeatureFinderAlgorithm.h:145
OpenMS::String
A more convenient string class.
Definition: String.h:59
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::Peak2D::MZ
Mass-to-charge dimension id (1 if used as a const int)
Definition: Peak2D.h:76
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::FeatureFinderAlgorithmMRM::MapType
FeatureFinderAlgorithm::MapType MapType
Definition: FeatureFinderAlgorithmMRM.h:66
OpenMS::FeatureFinderAlgorithmMRM::FloatDataArrays
SpectrumType::FloatDataArrays FloatDataArrays
Definition: FeatureFinderAlgorithmMRM.h:68
OpenMS::InterpolationModel
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:54
OpenMS::FeatureFinderAlgorithm::map_
const MapType * map_
Input data pointer.
Definition: FeatureFinderAlgorithm.h:139
OpenMS::FeatureFinderAlgorithm
Abstract base class for FeatureFinder algorithms.
Definition: FeatureFinderAlgorithm.h:74
OpenMS::MSSpectrum::FloatDataArrays
std::vector< FloatDataArray > FloatDataArrays
Definition: MSSpectrum.h:114
OpenMS::DefaultParamHandler::defaults_
Param defaults_
Container for default parameters. This member should be filled in the constructor of derived classes!
Definition: DefaultParamHandler.h:169
OpenMS::Peak2D::RT
Retention time dimension id (0 if used as a const int)
Definition: Peak2D.h:75
OpenMS::FeatureFinderAlgorithm::features_
FeatureMap * features_
Output data pointer.
Definition: FeatureFinderAlgorithm.h:142
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
FeatureFinderAlgorithm.h
OpenMS::DefaultParamHandler::param_
Param param_
Container for current parameters.
Definition: DefaultParamHandler.h:162