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ConsensusIsotopePattern.h
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2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Lukas Mueller, Markus Mueller $
33 // --------------------------------------------------------------------------
34 //
36 //
37 // written by Lukas N Mueller, 30.3.05
38 // Lukas.Mueller@imsb.biol.ethz.ch
39 // Group of Prof. Ruedi Aebersold, IMSB, ETH Hoenggerberg, Zurich
40 //
41 // Ported to OpenMS by Florian Zeller, florian.zeller@bsse.ethz.ch
42 // December 2010
43 //
44
45 #pragma once
46
47 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h>
48 #include <OpenMS/CONCEPT/Types.h>
49
50 #include <map>
51 #include <vector>
52
53 namespace OpenMS
54 {
55
56 class SUPERHIRN_DLLAPI ConsensusIsotopePattern
57 {
58
60 // declaration of the private members:
61
62 private:
63
64 // stores the consensus pattern:
65 std::map<double, double> isotopesTrace_;
66 std::vector<double> mzIsotopesStDev_;
67 std::vector<double> intensIsotopesStDev_;
68
69 // stores the detected patterns by retention time
70 std::map<double, std::pair<std::vector<double>, std::vector<double> > > rawIsotopes_;
71
73 // declaration of the public members:
74
75 public:
76
77 // class destructor
78 ~ConsensusIsotopePattern();
79
80 // class constructor
81 ConsensusIsotopePattern();
82 // class copy constructor
83 ConsensusIsotopePattern(const ConsensusIsotopePattern &);
84 // class copy constructor
85 ConsensusIsotopePattern(const ConsensusIsotopePattern *);
86
88 // overload operators:
89 ConsensusIsotopePattern & operator=(const ConsensusIsotopePattern &);
90 bool operator==(const ConsensusIsotopePattern &);
91 ConsensusIsotopePattern & operator<=(const ConsensusIsotopePattern &);
92 ConsensusIsotopePattern & operator>=(const ConsensusIsotopePattern &);
93 ConsensusIsotopePattern & operator<(const ConsensusIsotopePattern &);
94 ConsensusIsotopePattern & operator>(const ConsensusIsotopePattern &);
95
96 // constructs the consensus pattern:
97 void constructConsusPattern();
98 // order an isotope trace in the correct cluster:
99 void addIsotopeTrace(double, double);
100 // condenses the pattern, make average peaks from the traces:
101 void condensIsotopePattern(std::pair<std::vector<double>, std::vector<double> > *);
102
104 // start here all the get / set
105 // function to access the
106 // variables of the class
107
108 std::map<double, double>::iterator getConsensIsotopeIteratorStart();
109 std::map<double, double>::iterator getConsensIsotopeIteratorEnd();
110
111 };
112
113 inline std::map<double, double>::iterator ConsensusIsotopePattern::getConsensIsotopeIteratorStart()
114 {
115 return isotopesTrace_.begin();
116 }
117
118 inline std::map<double, double>::iterator ConsensusIsotopePattern::getConsensIsotopeIteratorEnd()
119 {
120 return isotopesTrace_.end();
121 }
122
123 } // ns
124
125
OpenMS::ConsensusIsotopePattern::rawIsotopes_
std::map< double, std::pair< std::vector< double >, std::vector< double > > > rawIsotopes_
Definition: ConsensusIsotopePattern.h:70
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
OpenMS::ConsensusIsotopePattern::isotopesTrace_
std::map< double, double > isotopesTrace_
Definition: ConsensusIsotopePattern.h:65
Types.h
OpenMS::ConsensusIsotopePattern::mzIsotopesStDev_
std::vector< double > mzIsotopesStDev_
Definition: ConsensusIsotopePattern.h:66
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::ConsensusIsotopePattern::getConsensIsotopeIteratorEnd
std::map< double, double >::iterator getConsensIsotopeIteratorEnd()
Definition: ConsensusIsotopePattern.h:118
OpenMS::ConsensusIsotopePattern
Definition: ConsensusIsotopePattern.h:56
OpenMS::ConsensusIsotopePattern::intensIsotopesStDev_
std::vector< double > intensIsotopesStDev_
Definition: ConsensusIsotopePattern.h:67
OpenMS::ConsensusIsotopePattern::getConsensIsotopeIteratorStart
std::map< double, double >::iterator getConsensIsotopeIteratorStart()
Definition: ConsensusIsotopePattern.h:113
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806