OpenMS
MRMFragmentSelection.h
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1 // Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: Andreas Bertsch $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
13 
14 #include <vector>
15 
16 namespace OpenMS
17 {
32  class OPENMS_DLLAPI MRMFragmentSelection :
33  public DefaultParamHandler
34  {
35 
36 public:
37 
43 
46 
50 
53 
55  void selectFragments(std::vector<Peak1D> & selected_peaks, const PeakSpectrum & spec);
56 
57 protected:
58 
60  bool peakselectionIsAllowed_(const String& name, const int charge);
61  };
62 }
63 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:66
This class can select appropriate fragment ions of an MS/MS spectrum of a peptide.
Definition: MRMFragmentSelection.h:34
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:44
A more convenient string class.
Definition: String.h:34
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:22