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FeatureFinderAlgorithmIsotopeWavelet.h
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34 
35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_FEATUREFINDERALGORITHMISOTOPEWAVELET_H
36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_FEATUREFINDERALGORITHMISOTOPEWAVELET_H
37 
39 
40 namespace OpenMS
41 {
62  {
63 public:
64 
66  typedef Peak1D PeakType;
67 
70 
73 
74  MSSpectrum* createHRData(const UInt i);
75 
77  void run();
78 
79  static const String getProductName();
80 
81  static FeatureFinderAlgorithm* create();
82 
83 protected:
84 
86  struct BoxElement
87  {
88  double mz;
89  UInt c;
90  double score;
91  double intens;
92  double RT;
93  };
94 
95  typedef std::map<UInt, BoxElement> Box;
96 
99  UInt RT_votes_cutoff_, real_RT_votes_cutoff_, RT_interleave_;
100  String use_gpus_, intensity_type_;
101  bool check_PPMs_, hr_data_;
102  std::vector<UInt> gpu_ids_;
103 
105 
106  void updateMembers_();
107 
108  };
109 
110 } //namespace
111 
112 #endif
A more convenient string class.
Definition: String.h:57
double intensity_threshold_
The only parameter of the isotope wavelet.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:98
String use_gpus_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:100
unsigned int UInt
Unsigned integer type.
Definition: Types.h:95
std::map< UInt, BoxElement > Box
Key: RT (index), value: BoxElement.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:95
Abstract base class for FeatureFinder algorithms.
Definition: FeatureFinderAlgorithm.h:75
UInt c
Note, this is not the charge (it is charge-1!!!)
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:89
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Internally used data structure for the sweep line algorithm.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:86
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
FeatureFinderAlgorithm Base
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:65
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:55
Implements the isotope wavelet feature finder.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:60
double intens
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:91
Peak1D PeakType
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:66
bool hr_data_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:101
Int progress_counter_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:104
UInt max_charge_
The maximal charge state we will consider.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:97
double score
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:90
UInt RT_votes_cutoff_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:99
int Int
Signed integer type.
Definition: Types.h:103
double RT
The elution time (not the scan index)
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:92
double mz
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:88
std::vector< UInt > gpu_ids_
A list of all GPU devices that can be used.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:102

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:00 using doxygen 1.8.13