OpenMS  2.8.0
CompNovoIonScoring.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Andreas Bertsch $
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34 
35 
36 #pragma once
37 
38 // OpenMS includes
47 
48 // stl includes
49 #include <vector>
50 
51 namespace OpenMS
52 {
60  class OPENMS_DLLAPI CompNovoIonScoring :
62  {
63 
64 public:
65 
68 
69 
75 
78 
80  ~CompNovoIonScoring() override;
82 
85 
89  void scoreSpectra(Map<double, IonScore> & CID_ion_scores, PeakSpectrum & CID_spec, PeakSpectrum & ETD_spec, double precursor_weight, Size charge);
91 
92 protected:
93 
94  void scoreETDFeatures_(Size charge, double precursor_weight, Map<double, IonScore> & CID_nodes, const PeakSpectrum & CID_orig_spec, const PeakSpectrum & ETD_orig_spec);
95 
96  void scoreWitnessSet_(Size charge, double precursor_weight, Map<double, IonScore> & CID_nodes, const PeakSpectrum & CID_orig_spec) override;
97 
98  };
99 
100 }
101 
run with CompNovoIonScoringBase
Definition: CompNovoIonScoringBase.h:55
IsotopeType
Definition: CompNovoIonScoringBase.h:60
run with CompNovoIonScoring
Definition: CompNovoIonScoring.h:62
CompNovoIonScoring & operator=(const CompNovoIonScoring &source)
assignment operator
void scoreWitnessSet_(Size charge, double precursor_weight, Map< double, IonScore > &CID_nodes, const PeakSpectrum &CID_orig_spec) override
void scoreSpectra(Map< double, IonScore > &CID_ion_scores, PeakSpectrum &CID_spec, PeakSpectrum &ETD_spec, double precursor_weight, Size charge)
CompNovoIonScoringBase::IonScore IonScore
Definition: CompNovoIonScoring.h:67
CompNovoIonScoring()
default constructor
~CompNovoIonScoring() override
destructor
CompNovoIonScoringBase::IsotopeType IsotopeType
Definition: CompNovoIonScoring.h:66
CompNovoIonScoring(const CompNovoIonScoring &source)
copy constructor
void scoreETDFeatures_(Size charge, double precursor_weight, Map< double, IonScore > &CID_nodes, const PeakSpectrum &CID_orig_spec, const PeakSpectrum &ETD_orig_spec)
The representation of a 1D spectrum.
Definition: MSSpectrum.h:70
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:52
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Definition: CompNovoIonScoringBase.h:67