OpenMS  2.8.0
MRMFragmentSelection.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 2002-2021.
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 
39 
40 #include <vector>
41 
42 namespace OpenMS
43 {
58  class OPENMS_DLLAPI MRMFragmentSelection :
59  public DefaultParamHandler
60  {
61 
62 public:
63 
69 
72 
76 
79 
81  void selectFragments(std::vector<Peak1D> & selected_peaks, const PeakSpectrum & spec);
82 
83 protected:
84 
86  bool peakselectionIsAllowed_(const String& name, const int charge);
87  };
88 }
89 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:93
This class can select appropriate fragment ions of an MS/MS spectrum of a peptide.
Definition: MRMFragmentSelection.h:60
MRMFragmentSelection(const MRMFragmentSelection &rhs)
copy constructor
~MRMFragmentSelection() override
destructor
void selectFragments(std::vector< Peak1D > &selected_peaks, const PeakSpectrum &spec)
selects accordingly to the parameters the best peaks of spec and writes them into selected_peaks
MRMFragmentSelection & operator=(const MRMFragmentSelection &rhs)
assignment operator
bool peakselectionIsAllowed_(const String &name, const int charge)
returns true if the selection of peak is allowed, according to the parameters set and the ion name
MRMFragmentSelection()
default constructor
The representation of a 1D spectrum.
Definition: MSSpectrum.h:70
A more convenient string class.
Definition: String.h:60
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47