OpenMS
Transitions.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: Hannes Roest $
32 // $Authors: Hannes Roest $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
37 #include <OpenMS/OPENSWATHALGO/OpenSwathAlgoConfig.h>
38 #include <string>
39 #include <vector>
41 
42 namespace OpenSwath
43 {
44 
45  struct OPENSWATHALGO_DLLAPI Peptide
46  {
47  double rt;
48  int charge;
49  std::string sequence;
50  std::string id;
51  int getChargeState() const
52  {
53  return charge;
54  }
55 
56  std::vector<LightModification> modifications;
57  std::vector<LightTransition> transitions;
58  };
59 
60  struct OPENSWATHALGO_DLLAPI Protein
61  {
62  std::string id;
63  std::string sequence;
64  std::vector<Peptide> peptides;
65  };
66 
67  struct OPENSWATHALGO_DLLAPI TargetedExperiment
68  {
69  std::vector<Protein> proteins;
70  };
71 
72 }
73 
Definition: Scoring.h:44
std::vector< Protein > proteins
Definition: Transitions.h:69
std::vector< Peptide > peptides
Definition: Transitions.h:64
std::string sequence
Definition: Transitions.h:63
std::string id
Definition: Transitions.h:62
Definition: Transitions.h:61
Definition: Transitions.h:68
Definition: Transitions.h:46
std::vector< LightTransition > transitions
Definition: Transitions.h:57
int getChargeState() const
Definition: Transitions.h:51
std::vector< LightModification > modifications
Definition: Transitions.h:56
std::string sequence
Definition: Transitions.h:49
double rt
Definition: Transitions.h:47
int charge
Definition: Transitions.h:48
std::string id
Definition: Transitions.h:50