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MultiplexDeltaMasses.h
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31 // $Maintainer: Lars Nilse $
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34 
35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXDELTAMASSES_H
36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXDELTAMASSES_H
37 
41 
42 #include <vector>
43 #include <set>
44 #include <algorithm>
45 #include <iostream>
46 
47 namespace OpenMS
48 {
64  class OPENMS_DLLAPI MultiplexDeltaMasses
65  {
66  public:
67 
74  typedef std::multiset<String> LabelSet;
75 
79  struct OPENMS_DLLAPI DeltaMass
80  {
81  double delta_mass;
82  LabelSet label_set;
83 
84  DeltaMass(double dm, LabelSet ls);
85 
86  // delta mass with a label set containing a single label
87  DeltaMass(double dm, String l);
88  };
89 
94 
98  MultiplexDeltaMasses(const std::vector<DeltaMass>& dm);
99 
103  std::vector<DeltaMass>& getDeltaMasses();
104 
108  const std::vector<DeltaMass>& getDeltaMasses() const;
109 
113  static String labelSetToString(const LabelSet ls);
114 
115  private:
116 
121  std::vector<DeltaMass> delta_masses_;
122 
123  };
124 
125  bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2);
126 
127 }
128 
129 #endif /* MULTIPLEXDELTAMASSES_H */
A more convenient string class.
Definition: String.h:57
data structure for mass shift pattern
Definition: MultiplexDeltaMasses.h:64
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
std::multiset< String > LabelSet
set of labels associated with a mass shift
Definition: MultiplexDeltaMasses.h:74
LabelSet label_set
Definition: MultiplexDeltaMasses.h:82
double delta_mass
Definition: MultiplexDeltaMasses.h:81
mass shift with corresponding label set
Definition: MultiplexDeltaMasses.h:79
std::vector< DeltaMass > delta_masses_
mass shifts between peptides (including zero mass shift for first peptide)
Definition: MultiplexDeltaMasses.h:121

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:02 using doxygen 1.8.13