| OpenMS 2.5.0

MultiplexDeltaMasses.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Lars Nilse $
32 // $Authors: Lars Nilse $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/KERNEL/StandardTypes.h>
38 #include <OpenMS/DATASTRUCTURES/String.h>
39 #include <OpenMS/CONCEPT/LogStream.h>
40
41 #include <vector>
42 #include <set>
43 #include <algorithm>
44 #include <iostream>
45
46 namespace OpenMS
47 {
63 class OPENMS_DLLAPI MultiplexDeltaMasses
64 {
65 public:
66
73 typedef std::multiset<String> LabelSet;
74
78 struct OPENMS_DLLAPI DeltaMass
79 {
80 double delta_mass;
81 LabelSet label_set;
82
83 DeltaMass(double dm, LabelSet ls);
84
85 // delta mass with a label set containing a single label
86 DeltaMass(double dm, String l);
87 };
88
92 MultiplexDeltaMasses();
93
97 MultiplexDeltaMasses(const std::vector<DeltaMass>& dm);
98
102 std::vector<DeltaMass>& getDeltaMasses();
103
107 const std::vector<DeltaMass>& getDeltaMasses() const;
108
112 static String labelSetToString(const LabelSet& ls);
113
114 private:
115
120 std::vector<DeltaMass> delta_masses_;
121
122 };
123
124 bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2);
125
126 }
127
128
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:81
OpenMS::MultiplexDeltaMasses::delta_masses_
std::vector< DeltaMass > delta_masses_
mass shifts between peptides (including zero mass shift for first peptide)
Definition: MultiplexDeltaMasses.h:120
StandardTypes.h
OpenMS::MultiplexDeltaMasses::LabelSet
std::multiset< String > LabelSet
set of labels associated with a mass shift
Definition: MultiplexDeltaMasses.h:73
String.h
OpenMS::MultiplexDeltaMasses::DeltaMass
mass shift with corresponding label set
Definition: MultiplexDeltaMasses.h:78
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
LogStream.h
OpenMS::MultiplexDeltaMasses
data structure for mass shift pattern
Definition: MultiplexDeltaMasses.h:63
OpenMS::MultiplexDeltaMasses::DeltaMass::delta_mass
double delta_mass
Definition: MultiplexDeltaMasses.h:80