OpenMS  3.0.0
DeNovoIonScoring.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Sandro Andreotti, Andreas Bertsch$
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34 
35 #pragma once
36 
39 #include <vector>
40 
41 namespace OpenMS
42 {
50  class OPENMS_DLLAPI DeNovoIonScoring :
51  public DefaultParamHandler
52  {
53 public:
59  class IonScore
60  {
61 public:
63  double score;
64 
66  double position;
67 
70 
71 
73  score(0),
74  position(0.0),
75  index(-1)
76  {
77  }
78 
79  IonScore(const IonScore & rhs) :
80  score(rhs.score),
81  position(rhs.score),
82  index(rhs.index)
83  {
84  }
85 
86  virtual ~IonScore()
87  {
88  }
89 
90  IonScore & operator=(const IonScore & rhs)
91  {
92  if (this != &rhs)
93  {
94  score = rhs.score;
95  position = rhs.position;
96  index = rhs.index;
97  }
98  return *this;
99  }
100 
101  };
102 
103 
109 
111  ~DeNovoIonScoring() override;
112 
114  DeNovoIonScoring(const DeNovoIonScoring & rhs);
116 
118  DeNovoIonScoring & operator=(const DeNovoIonScoring & rhs);
119 
120  virtual void getIonScores(std::vector<IonScore> & ion_scores, const PeakSpectrum & spec) = 0;
121 
122  virtual void getIonScores(std::vector<std::vector<IonScore> > & ion_scores, const PeakMap & exp) = 0;
123  };
124 
125 } // namespace OpenMS
126 
DefaultParamHandler.h
OpenMS::DeNovoIonScoring::IonScore::score
double score
score
Definition: DeNovoIonScoring.h:63
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
OpenMS::DeNovoIonScoring::IonScore::~IonScore
virtual ~IonScore()
Definition: DeNovoIonScoring.h:86
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::DeNovoIonScoring::IonScore::index
SignedSize index
index of peak in the spectrum, -1 if not in spectrum
Definition: DeNovoIonScoring.h:69
OpenMS::DeNovoIonScoring::IonScore::IonScore
IonScore()
Definition: DeNovoIonScoring.h:72
OpenMS::DeNovoIonScoring::IonScore
IonScore.
Definition: DeNovoIonScoring.h:59
OpenMS::DeNovoIonScoring::IonScore::operator=
IonScore & operator=(const IonScore &rhs)
Definition: DeNovoIonScoring.h:90
OpenMS::DeNovoIonScoring
Base class for ion scoring implementation for de novo algorithms.
Definition: DeNovoIonScoring.h:50
OpenMS::DeNovoIonScoring::IonScore::position
double position
position of the ion
Definition: DeNovoIonScoring.h:66
OpenMS::SignedSize
ptrdiff_t SignedSize
Signed Size type e.g. used as pointer difference.
Definition: Types.h:134
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
OpenMS::DeNovoIonScoring::IonScore::IonScore
IonScore(const IonScore &rhs)
Definition: DeNovoIonScoring.h:79
StandardTypes.h