OpenMS  3.0.0
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
46 
47 // stl includes
48 #include <vector>
49 #include <map>
50 
51 namespace OpenMS
52 {
60  class OPENMS_DLLAPI CompNovoIonScoring :
62  {
63 
64 public:
65 
68 
69 
75 
77  CompNovoIonScoring(const CompNovoIonScoring & source);
78 
80  ~CompNovoIonScoring() override;
82 
84  CompNovoIonScoring & operator=(const CompNovoIonScoring & source);
85 
89  void scoreSpectra(std::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, std::map<double, IonScore> & CID_nodes, const PeakSpectrum & CID_orig_spec, const PeakSpectrum & ETD_orig_spec);
95 
96  void scoreWitnessSet_(Size charge, double precursor_weight, std::map<double, IonScore> & CID_nodes, const PeakSpectrum & CID_orig_spec) override;
97 
98  };
99 
100 }
101 
DefaultParamHandler.h
OpenMS::CompNovoIonScoring::IsotopeType
CompNovoIonScoringBase::IsotopeType IsotopeType
Definition: CompNovoIonScoring.h:66
OpenMS::CompNovoIonScoringBase
run with CompNovoIonScoringBase
Definition: CompNovoIonScoringBase.h:54
OpenMS::CompNovoIonScoringBase::IsotopeType
IsotopeType
Definition: CompNovoIonScoringBase.h:60
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
ZhangSimilarityScore.h
MassDecomposition.h
OpenMS::CompNovoIonScoringBase::IonScore
Definition: CompNovoIonScoringBase.h:67
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
MassDecompositionAlgorithm.h
OpenMS::CompNovoIonScoring::IonScore
CompNovoIonScoringBase::IonScore IonScore
Definition: CompNovoIonScoring.h:67
CompNovoIonScoringBase.h
PeptideIdentification.h
OpenMS::CompNovoIonScoring
run with CompNovoIonScoring
Definition: CompNovoIonScoring.h:60
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
StandardTypes.h