OpenMS  2.5.0
FeatureLCProfile.h
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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 #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:
83 
85  // declaration of the public members:
86 
87 public:
88 
89  // class destructor
91 
92  // class constructor
94  FeatureLCProfile(double, double, int, double);
95  FeatureLCProfile(double, double, double, int, int, double);
96 
97  // class copy constructor
99  // class copy constructor
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 &);
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::MS1Signal
Definition: FeatureLCProfile.h:57
OpenMS::MS1Signal::intensity
double intensity
Definition: FeatureLCProfile.h:61
OpenMS::MS1Signal::charge
int charge
Definition: FeatureLCProfile.h:63
OpenMS::FeatureLCProfile
Definition: FeatureLCProfile.h:66
Types.h
OpenMS::MS1Signal::scan
int scan
Definition: FeatureLCProfile.h:62
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::FeatureLCProfile::outsideLCelutionSignals
std::map< int, MS1Signal > outsideLCelutionSignals
Definition: FeatureLCProfile.h:75
OpenMS::FeatureLCProfile::LCelutionArea
double LCelutionArea
Definition: FeatureLCProfile.h:79
OpenMS::FeatureLCProfile::LCelutionSignals
std::map< int, MS1Signal > LCelutionSignals
Definition: FeatureLCProfile.h:74
OpenMS::FeatureLCProfile::apexMS1Signal
MS1Signal apexMS1Signal
Definition: FeatureLCProfile.h:82
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
OpenMS::MS1Signal::mass
double mass
Definition: FeatureLCProfile.h:59
OpenMS::MS1Signal::TR
double TR
Definition: FeatureLCProfile.h:60