OpenMS  2.6.0
CompNovoIdentificationCID.h
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32 // $Authors: Andreas Bertsch $
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34 
35 
36 #pragma once
37 
38 // OpenMS includes
40 
41 // stl includes
42 #include <vector>
43 
44 namespace OpenMS
45 {
53  class OPENMS_DLLAPI CompNovoIdentificationCID :
55  {
56 
57 public:
58 
64 
67 
69  ~CompNovoIdentificationCID() override;
71 
73  CompNovoIdentificationCID & operator=(const CompNovoIdentificationCID & source);
74 
78  void getIdentifications(std::vector<PeptideIdentification> & ids, const PeakMap & exp) override;
80 
82  void getIdentification(PeptideIdentification & id, const PeakSpectrum & CID_spec);
84 
85 
89 
90 protected:
91 
93  void getDecompositionsDAC_(std::set<String> & sequences, Size left, Size right, double peptide_weight, const PeakSpectrum & CID_orig_spec, Map<double, IonScore> & CID_nodes);
94 
96  void reducePermuts_(std::set<String> & permuts, const PeakSpectrum & CID_orig_spec, double prefix, double suffix);
97 
98  void updateMembers_() override;
99 
101  };
102 }
103 
OpenMS::CompNovoIonScoringBase::IsotopeType
IsotopeType
Definition: CompNovoIonScoringBase.h:59
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::CompNovoIdentificationCID::precursor_mass_tolerance_
double precursor_mass_tolerance_
Definition: CompNovoIdentificationCID.h:100
OpenMS::CompNovoIdentificationBase::Permut
Simple class to store permutations and a score.
Definition: CompNovoIdentificationBase.h:186
OpenMS::CompNovoIonScoringBase::IonScore
Definition: CompNovoIonScoringBase.h:66
OpenMS::CompNovoIdentificationCID::Permut
CompNovoIdentificationBase::Permut Permut
Definition: CompNovoIdentificationCID.h:88
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
CompNovoIdentificationBase.h
OpenMS::CompNovoIdentificationCID
run with CompNovoIdentificationCID
Definition: CompNovoIdentificationCID.h:53
OpenMS::CompNovoIdentificationCID::IonScore
CompNovoIonScoringBase::IonScore IonScore
Definition: CompNovoIdentificationCID.h:87
OpenMS::CompNovoIdentificationBase
run with CompNovoIdentificationBase
Definition: CompNovoIdentificationBase.h:57
OpenMS::PeptideIdentification
Represents the peptide hits for a spectrum.
Definition: PeptideIdentification.h:62
OpenMS::CompNovoIdentificationCID::IsotopeType
CompNovoIonScoringBase::IsotopeType IsotopeType
Definition: CompNovoIdentificationCID.h:86
OpenMS::Map
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:50
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67