OpenMS  3.0.0
IsotopeCluster.h
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31 // $Maintainer: Timo Sachsenberg$
32 // $Authors: Marc Sturm $
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34 
35 #pragma once
36 
37 #include <OpenMS/CONCEPT/Types.h>
38 #include <vector>
39 #include <set>
40 
41 namespace OpenMS
42 {
44  struct OPENMS_DLLAPI IsotopeCluster
45  {
47  typedef std::pair<Size, Size> IndexPair;
49  typedef std::set<IndexPair> IndexSet;
50 
52  struct ChargedIndexSet :
53  public IndexSet
54  {
56  charge(0)
57  {
58  }
59 
62  };
63 
65  peaks(),
66  scans()
67  {
68  }
69 
72 
74  std::vector<Size> scans;
75  };
76 
77 } // namespace OPENMS
78 
OpenMS::IsotopeCluster::ChargedIndexSet
index set with associated charge estimate
Definition: IsotopeCluster.h:52
Types.h
OpenMS::IsotopeCluster::IndexPair
std::pair< Size, Size > IndexPair
An index e.g. in an MSExperiment.
Definition: IsotopeCluster.h:47
OpenMS::IsotopeCluster::ChargedIndexSet::ChargedIndexSet
ChargedIndexSet()
Definition: IsotopeCluster.h:55
OpenMS::IsotopeCluster::ChargedIndexSet::charge
Int charge
charge estimate (convention: zero means "no charge estimate")
Definition: IsotopeCluster.h:61
OpenMS::IsotopeCluster
Stores information about an isotopic cluster (i.e. potential peptide charge variants)
Definition: IsotopeCluster.h:44
OpenMS::IsotopeCluster::IndexSet
std::set< IndexPair > IndexSet
A set of index pairs, usually referring to an MSExperiment.
Definition: IsotopeCluster.h:49
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::IsotopeCluster::scans
std::vector< Size > scans
the scans of this cluster
Definition: IsotopeCluster.h:74
OpenMS::IsotopeCluster::IsotopeCluster
IsotopeCluster()
Definition: IsotopeCluster.h:64
OpenMS::IsotopeCluster::peaks
ChargedIndexSet peaks
peaks in this cluster
Definition: IsotopeCluster.h:71