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SpectraSTSimilarityScore.h
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34 
35 #ifndef OPENMS_COMPARISON_SPECTRA_SPECTRASTSIMILARITYSCORE_H
36 #define OPENMS_COMPARISON_SPECTRA_SPECTRASTSIMILARITYSCORE_H
37 
40 
41 namespace OpenMS
42 {
43 
59  class OPENMS_DLLAPI SpectraSTSimilarityScore :
61  {
62 public:
63 
64  // @name Constructors and Destructors
65  // @{
68 
71 
73  virtual ~SpectraSTSimilarityScore();
74  // @}
75 
77  SpectraSTSimilarityScore & operator=(const SpectraSTSimilarityScore & source);
78 
82  DoubleReal operator()(const PeakSpectrum & spec1, const PeakSpectrum & spec2) const;
86  DoubleReal operator()(const BinnedSpectrum & bin1, const BinnedSpectrum & bin2) const;
90  DoubleReal operator()(const PeakSpectrum & spec) const;
91 
100  bool preprocess(PeakSpectrum & spec, Real remove_peak_intensity_threshold = 2.01, UInt cut_peaks_below = 1000, Size min_peak_number = 5, Size max_peak_number = 150);
101 
102 
104  BinnedSpectrum transform(const PeakSpectrum & spec);
105 
113  DoubleReal dot_bias(const BinnedSpectrum & bin1, const BinnedSpectrum & bin2, DoubleReal dot_product = -1) const;
114 
125  DoubleReal delta_D(DoubleReal top_hit, DoubleReal runner_up);
126 
135  DoubleReal compute_F(DoubleReal dot_product, DoubleReal delta_D, DoubleReal dot_bias);
136 
137 
138 
141 
143  static const String getProductName()
144  {
145  return "SpectraSTSimilarityScore";
146  }
147 
148 protected:
149 
150 
151  };
152 
153 }
154 #endif //OPENMS_COMPARISON_SPECTRA_SPECTRASTSIMILARTIYSCORE_H
float Real
Real type.
Definition: Types.h:109
A more convenient string class.
Definition: String.h:56
static PeakSpectrumCompareFunctor * create()
Definition: SpectraSTSimilarityScore.h:140
Similarity score of SpectraST.
Definition: SpectraSTSimilarityScore.h:59
This is a binned representation of a PeakSpectrum.
Definition: BinnedSpectrum.h:66
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
Base class for compare functors of spectra, that return a similiarity value for two spectra...
Definition: PeakSpectrumCompareFunctor.h:53
static const String getProductName()
Reimplemented from PeakSpectrumCompareFunctor.
Definition: SpectraSTSimilarityScore.h:143

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:21 using doxygen 1.8.5