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FeatureLCProfile.h
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5 // ETH Zurich, and Freie Universitaet Berlin 2002-2017.
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Lukas Mueller, Markus Mueller $
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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 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_FEATURELCPROFILE_H
46 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_FEATURELCPROFILE_H
47 
48 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h>
49 #include <OpenMS/CONCEPT/Types.h>
50 
51 #include <map>
52 
53 namespace OpenMS
54 {
55 
56 // this structure stores the monoisotopic
57 // signals of LC elution peak:
58  struct SUPERHIRN_DLLAPI MS1Signal
59  {
60  double mass;
61  double TR;
62  double intensity;
63  int scan;
64  int charge;
65  };
66 
67  class SUPERHIRN_DLLAPI FeatureLCProfile
68  {
69 
70 
72  // declaration of the private members:
73 private:
74 
75  std::map<int, MS1Signal> LCelutionSignals;
76  std::map<int, MS1Signal> outsideLCelutionSignals;
77 
78 
79  // elution area
80  double LCelutionArea;
81 
82  // apex signal:
84 
86  // declaration of the public members:
87 
88 public:
89 
90  // class destructor
92 
93  // class constructor
95  FeatureLCProfile(double, double, int, double);
96  FeatureLCProfile(double, double, double, int, int, double);
97 
98  // class copy constructor
100  // class copy constructor
102 
103 
105  // overload operators:
106  FeatureLCProfile & operator=(const FeatureLCProfile &);
107  bool operator==(const FeatureLCProfile &);
108  FeatureLCProfile & operator<=(const FeatureLCProfile &);
109  FeatureLCProfile & operator>=(const FeatureLCProfile &);
111  FeatureLCProfile & operator>(const FeatureLCProfile &);
112 
113  // change all elution times by a factor:
114  void changeElutionTimesByFactor(double);
115 
116 
118  // start here all the get / set
119  // function to access the
120  // variables of the class
121 
122  // add / get signals:
123  void addMS1elutionSignal(double, double, int, int, double);
124  void addOutsideMS1elutionSignal(double, double, int, int, double);
125  void addMS1elutionSignal(MS1Signal * in);
126 
127  std::map<int, MS1Signal> * getLCelutionSignalMap();
128  std::map<int, MS1Signal>::iterator getLCelutionSignalsStart();
129  std::map<int, MS1Signal>::reverse_iterator getLastLCelutionSignal();
130  std::map<int, MS1Signal>::iterator getLCelutionSignalsEnd();
131  int getNbLCelutionSignals();
132 
133  };
134 
135 } // ns
136 
137 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_FEATURELCPROFILE_H
double intensity
Definition: FeatureLCProfile.h:62
MS1Signal apexMS1Signal
Definition: FeatureLCProfile.h:83
double LCelutionArea
Definition: FeatureLCProfile.h:80
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
Definition: FeatureLCProfile.h:67
std::map< int, MS1Signal > outsideLCelutionSignals
Definition: FeatureLCProfile.h:76
int scan
Definition: FeatureLCProfile.h:63
double TR
Definition: FeatureLCProfile.h:61
Definition: FeatureLCProfile.h:58
double mass
Definition: FeatureLCProfile.h:60
std::map< int, MS1Signal > LCelutionSignals
Definition: FeatureLCProfile.h:75
int charge
Definition: FeatureLCProfile.h:64

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