OpenMS
FeatureFinderAlgorithmIsotopeWavelet.h
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1 // Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
12 
13 namespace OpenMS
14 {
35  {
36 public:
37 
39  typedef Peak1D PeakType;
40 
43 
46 
48 
50  void run() override;
51 
52  static const String getProductName();
53 
55 
56 protected:
57 
59  struct BoxElement
60  {
61  double mz;
62  UInt c;
63  double score;
64  double intens;
65  double RT;
66  };
67 
68  typedef std::map<UInt, BoxElement> Box;
69 
72  UInt RT_votes_cutoff_, real_RT_votes_cutoff_, RT_interleave_;
73  String use_gpus_, intensity_type_;
74  bool check_PPMs_, hr_data_;
75  std::vector<UInt> gpu_ids_;
76 
78 
79  void updateMembers_() override;
80 
81  };
82 
83 } //namespace
84 
Implements the isotope wavelet feature finder.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:35
Int progress_counter_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:77
String intensity_type_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:73
UInt max_charge_
The maximal absolute charge state we will consider.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:70
MSSpectrum * createHRData(const UInt i)
FeatureFinderAlgorithmIsotopeWavelet()
Default Constructor.
double score
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:63
FeatureFinderAlgorithm Base
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:38
double mz
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:61
static FeatureFinderAlgorithm * create()
UInt c
Note, this is not the charge (it is charge-1!!!)
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:62
double RT
The elution time (not the scan index)
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:65
double intensity_threshold_
The only parameter of the isotope wavelet.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:71
UInt real_RT_votes_cutoff_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:72
double intens
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:64
void updateMembers_() override
This method is used to update extra member variables at the end of the setParameters() method.
bool check_PPMs_
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:74
Peak1D PeakType
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:39
void run() override
The working horse of this class.
std::map< UInt, BoxElement > Box
Key: RT (index), value: BoxElement.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:68
~FeatureFinderAlgorithmIsotopeWavelet() override
Destructor.
std::vector< UInt > gpu_ids_
A list of all GPU devices that can be used.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:75
Internally used data structure for the sweep line algorithm.
Definition: FeatureFinderAlgorithmIsotopeWavelet.h:60
Abstract base class for FeatureFinder algorithms.
Definition: FeatureFinderAlgorithm.h:50
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:28
A more convenient string class.
Definition: String.h:34
int Int
Signed integer type.
Definition: Types.h:76
unsigned int UInt
Unsigned integer type.
Definition: Types.h:68
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:22