OpenMS  3.0.0
FeatureFinderAlgorithmIsotopeWavelet.h
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31 // $Maintainer: Timo Sachsenberg $
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34 
35 #pragma once
36 
38 
39 namespace OpenMS
40 {
61  {
62 public:
63 
65  typedef Peak1D PeakType;
66 
69 
72 
73  MSSpectrum* createHRData(const UInt i);
74 
76  void run() override;
77 
78  static const String getProductName();
79 
80  static FeatureFinderAlgorithm* create();
81 
82 protected:
83 
85  struct BoxElement
86  {
87  double mz;
88  UInt c;
89  double score;
90  double intens;
91  double RT;
92  };
93 
94  typedef std::map<UInt, BoxElement> Box;
95 
98  UInt RT_votes_cutoff_, real_RT_votes_cutoff_, RT_interleave_;
99  String use_gpus_, intensity_type_;
100  bool check_PPMs_, hr_data_;
101  std::vector<UInt> gpu_ids_;
102 
104 
105  void updateMembers_() override;
106 
107  };
108 
109 } //namespace
110 
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::gpu_ids_
std::vector< UInt > gpu_ids_
A list of all GPU devices that can be used.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:101
OpenMS::FeatureFinderAlgorithmIsotopeWavelet
Implements the isotope wavelet feature finder.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:59
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::progress_counter_
Int progress_counter_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:103
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::BoxElement::intens
double intens
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:90
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::BoxElement
Internally used data structure for the sweep line algorithm.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:85
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::Box
std::map< UInt, BoxElement > Box
Key: RT (index), value: BoxElement.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:94
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::BoxElement::score
double score
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:89
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::intensity_threshold_
double intensity_threshold_
The only parameter of the isotope wavelet.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:97
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::BoxElement::c
UInt c
Note, this is not the charge (it is charge-1!!!)
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:88
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::Base
FeatureFinderAlgorithm Base
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:64
OpenMS::Peak1D
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:53
OpenMS::UInt
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
OpenMS::FeatureFinderAlgorithm
Abstract base class for FeatureFinder algorithms.
Definition: FeatureFinderAlgorithm.h:74
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::PeakType
Peak1D PeakType
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:65
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::max_charge_
UInt max_charge_
The maximal charge state we will consider.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:96
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::hr_data_
bool hr_data_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:100
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::BoxElement::RT
double RT
The elution time (not the scan index)
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:91
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::use_gpus_
String use_gpus_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:99
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::RT_votes_cutoff_
UInt RT_votes_cutoff_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:98
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
OpenMS::FeatureFinderAlgorithmIsotopeWavelet::BoxElement::mz
double mz
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:87
FeatureFinderAlgorithm.h