OpenMS  3.0.0
MultiplexDeltaMasses.h
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31 // $Maintainer: Lars Nilse $
32 // $Authors: Lars Nilse $
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34 
35 #pragma once
36 
39 
40 #include <vector>
41 #include <set>
42 #include <algorithm>
43 #include <iostream>
44 
45 namespace OpenMS
46 {
62  class OPENMS_DLLAPI MultiplexDeltaMasses
63  {
64  public:
65 
72  typedef std::multiset<String> LabelSet;
73 
77  struct OPENMS_DLLAPI DeltaMass
78  {
79  double delta_mass;
81 
82  DeltaMass(double dm, LabelSet ls);
83 
84  // delta mass with a label set containing a single label
85  DeltaMass(double dm, String l);
86  };
87 
92 
96  MultiplexDeltaMasses(const std::vector<DeltaMass>& dm);
97 
101  std::vector<DeltaMass>& getDeltaMasses();
102 
106  const std::vector<DeltaMass>& getDeltaMasses() const;
107 
111  static String labelSetToString(const LabelSet& ls);
112 
113  private:
114 
119  std::vector<DeltaMass> delta_masses_;
120 
121  };
122 
123  bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2);
124 
125 }
126 
127 
OpenMS::MultiplexDeltaMasses::DeltaMass
mass shift with corresponding label set
Definition: MultiplexDeltaMasses.h:77
OpenMS::MultiplexDeltaMasses::LabelSet
std::multiset< String > LabelSet
set of labels associated with a mass shift
Definition: MultiplexDeltaMasses.h:72
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
OpenMS::MultiplexDeltaMasses::DeltaMass::label_set
LabelSet label_set
Definition: MultiplexDeltaMasses.h:80
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::MultiplexDeltaMasses::DeltaMass::delta_mass
double delta_mass
Definition: MultiplexDeltaMasses.h:79
OpenMS::MultiplexDeltaMasses::delta_masses_
std::vector< DeltaMass > delta_masses_
mass shifts between peptides (including zero mass shift for first peptide)
Definition: MultiplexDeltaMasses.h:119
OpenMS::MultiplexDeltaMasses
data structure for mass shift pattern
Definition: MultiplexDeltaMasses.h:62
String.h
StandardTypes.h