OpenMS
IsotopeCluster.h
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1 // Copyright (c) 2002-present, 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: Marc Sturm $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
11 #include <OpenMS/CONCEPT/Types.h>
12 #include <vector>
13 #include <set>
14 
15 namespace OpenMS
16 {
18  struct OPENMS_DLLAPI IsotopeCluster
19  {
21  typedef std::pair<Size, Size> IndexPair;
23  typedef std::set<IndexPair> IndexSet;
24 
26  struct ChargedIndexSet :
27  public IndexSet
28  {
30  charge(0)
31  {
32  }
33 
36  };
37 
39  peaks(),
40  scans()
41  {
42  }
43 
46 
48  std::vector<Size> scans;
49  };
50 
51 } // namespace OPENMS
52 
int Int
Signed integer type.
Definition: Types.h:72
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
index set with associated charge estimate
Definition: IsotopeCluster.h:28
Int charge
charge estimate (convention: zero means "no charge estimate")
Definition: IsotopeCluster.h:35
ChargedIndexSet()
Definition: IsotopeCluster.h:29
Stores information about an isotopic cluster (i.e. potential peptide charge variants)
Definition: IsotopeCluster.h:19
IsotopeCluster()
Definition: IsotopeCluster.h:38
std::pair< Size, Size > IndexPair
An index e.g. in an MSExperiment.
Definition: IsotopeCluster.h:21
std::vector< Size > scans
the scans of this cluster
Definition: IsotopeCluster.h:48
ChargedIndexSet peaks
peaks in this cluster
Definition: IsotopeCluster.h:45
std::set< IndexPair > IndexSet
A set of index pairs, usually referring to an MSExperiment.
Definition: IsotopeCluster.h:23