| OpenMS 2.5.0

FeatureLCProfile.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
52 namespace OpenMS
53 {
54
55 // this structure stores the monoisotopic
56 // signals of LC elution peak:
57 struct SUPERHIRN_DLLAPI MS1Signal
58 {
59 double mass;
60 double TR;
61 double intensity;
62 int scan;
63 int charge;
64 };
65
66 class SUPERHIRN_DLLAPI FeatureLCProfile
67 {
68
69
71 // declaration of the private members:
72 private:
73
74 std::map<int, MS1Signal> LCelutionSignals;
75 std::map<int, MS1Signal> outsideLCelutionSignals;
76
77
78 // elution area
79 double LCelutionArea;
80
81 // apex signal:
82 MS1Signal apexMS1Signal;
83
85 // declaration of the public members:
86
87 public:
88
89 // class destructor
90 ~FeatureLCProfile();
91
92 // class constructor
93 FeatureLCProfile();
94 FeatureLCProfile(double, double, int, double);
95 FeatureLCProfile(double, double, double, int, int, double);
96
97 // class copy constructor
98 FeatureLCProfile(const FeatureLCProfile &);
99 // class copy constructor
100 FeatureLCProfile(const FeatureLCProfile *);
101
102
104 // overload operators:
105 FeatureLCProfile & operator=(const FeatureLCProfile &);
106 bool operator==(const FeatureLCProfile &);
107 FeatureLCProfile & operator<=(const FeatureLCProfile &);
108 FeatureLCProfile & operator>=(const FeatureLCProfile &);
109 FeatureLCProfile & operator<(const FeatureLCProfile &);
110 FeatureLCProfile & operator>(const FeatureLCProfile &);
111
112 // change all elution times by a factor:
113 void changeElutionTimesByFactor(double);
114
115
117 // start here all the get / set
118 // function to access the
119 // variables of the class
120
121 // add / get signals:
122 void addMS1elutionSignal(double, double, int, int, double);
123 void addOutsideMS1elutionSignal(double, double, int, int, double);
124 void addMS1elutionSignal(MS1Signal * in);
125
126 std::map<int, MS1Signal> * getLCelutionSignalMap();
127 std::map<int, MS1Signal>::iterator getLCelutionSignalsStart();
128 std::map<int, MS1Signal>::reverse_iterator getLastLCelutionSignal();
129 std::map<int, MS1Signal>::iterator getLCelutionSignalsEnd();
130 int getNbLCelutionSignals();
131
132 };
133
134 } // ns
135
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
OpenMS::MS1Signal::TR
double TR
Definition: FeatureLCProfile.h:60
OpenMS::MS1Signal::intensity
double intensity
Definition: FeatureLCProfile.h:61
Types.h
OpenMS::FeatureLCProfile::apexMS1Signal
MS1Signal apexMS1Signal
Definition: FeatureLCProfile.h:82
OpenMS::FeatureLCProfile::outsideLCelutionSignals
std::map< int, MS1Signal > outsideLCelutionSignals
Definition: FeatureLCProfile.h:75
OpenMS::MS1Signal
Definition: FeatureLCProfile.h:57
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::FeatureLCProfile::LCelutionSignals
std::map< int, MS1Signal > LCelutionSignals
Definition: FeatureLCProfile.h:74
OpenMS::FeatureLCProfile::LCelutionArea
double LCelutionArea
Definition: FeatureLCProfile.h:79
OpenMS::FeatureLCProfile
Definition: FeatureLCProfile.h:66
OpenMS::MS1Signal::mass
double mass
Definition: FeatureLCProfile.h:59
OpenMS::MS1Signal::charge
int charge
Definition: FeatureLCProfile.h:63
OpenMS::MS1Signal::scan
int scan
Definition: FeatureLCProfile.h:62
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806