OpenMS  3.0.0
PeakIntensityPredictor.h
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35 
36 #pragma once
37 
40 
41 namespace OpenMS
42 {
43 
64  class OPENMS_DLLAPI PeakIntensityPredictor
65  {
66 
67 public:
68 
70 
74  virtual ~PeakIntensityPredictor();
76 
78  double predict(const AASequence & sequence);
79 
88  double predict(const AASequence & sequence, std::vector<double> & add_info);
89 
91  std::vector<double> predict(const std::vector<AASequence> & sequences);
92 
102  std::vector<double> predict(const std::vector<AASequence> & sequences, std::vector<std::vector<double> > & add_info);
103 
104 private:
105 
107  double map_(const std::vector<double> & data);
109  Size findWinner_(const std::vector<double> & data);
111  std::vector<double> calculateAddInfo_(const std::vector<double> & data);
112 
138  std::vector<double> getPropertyVector_(const AASequence & sequence);
139 
142 
146  PeakIntensityPredictor & operator=(const PeakIntensityPredictor & peakIntensityPredictor);
147 
148  };
149 
150 } // namespace OpenMS
151 
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::PeakIntensityPredictor::llm_
LocalLinearMap llm_
Local Linear Map model.
Definition: PeakIntensityPredictor.h:141
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
AASequence.h
LocalLinearMap.h
OpenMS::AASequence
Representation of a peptide/protein sequence.
Definition: AASequence.h:111
OpenMS::LocalLinearMap
Trained Local Linear Map (LLM) model for peak intensity prediction.
Definition: LocalLinearMap.h:56
OpenMS::PeakIntensityPredictor
Predict peak heights of peptides based on Local Linear Map model.
Definition: PeakIntensityPredictor.h:64