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ConsensusIsotopePattern.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 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_CONSENSUSISOTOPEPATTERN_H
46 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_CONSENSUSISOTOPEPATTERN_H
47 
48 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h>
49 #include <OpenMS/CONCEPT/Types.h>
50 
51 #include <map>
52 #include <vector>
53 
54 namespace OpenMS
55 {
56 
57  class SUPERHIRN_DLLAPI ConsensusIsotopePattern
58  {
59 
61  // declaration of the private members:
62 
63 private:
64 
65  // stores the consensus pattern:
66  std::map<double, double> isotopesTrace_;
67  std::vector<double> mzIsotopesStDev_;
68  std::vector<double> intensIsotopesStDev_;
69 
70  // stores the detected patterns by retention time
71  std::map<double, std::pair<std::vector<double>, std::vector<double> > > rawIsotopes_;
72 
74  // declaration of the public members:
75 
76 public:
77 
78  // class destructor
80 
81  // class constructor
83  // class copy constructor
85  // class copy constructor
87 
89  // overload operators:
91  bool operator==(const ConsensusIsotopePattern &);
96 
97  // constructs the consensus pattern:
98  void constructConsusPattern();
99  // order an isotope trace in the correct cluster:
100  void addIsotopeTrace(double, double);
101  // condenses the pattern, make average peaks from the traces:
102  void condensIsotopePattern(std::pair<std::vector<double>, std::vector<double> > *);
103 
105  // start here all the get / set
106  // function to access the
107  // variables of the class
108 
109  std::map<double, double>::iterator getConsensIsotopeIteratorStart();
110  std::map<double, double>::iterator getConsensIsotopeIteratorEnd();
111 
112  };
113 
114  inline std::map<double, double>::iterator ConsensusIsotopePattern::getConsensIsotopeIteratorStart()
115  {
116  return isotopesTrace_.begin();
117  }
118 
119  inline std::map<double, double>::iterator ConsensusIsotopePattern::getConsensIsotopeIteratorEnd()
120  {
121  return isotopesTrace_.end();
122  }
123 
124 } // ns
125 
126 
127 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_CONSENSUSISOTOPEPATTERN_H
std::map< double, double >::iterator getConsensIsotopeIteratorStart()
Definition: ConsensusIsotopePattern.h:114
std::map< double, std::pair< std::vector< double >, std::vector< double > > > rawIsotopes_
Definition: ConsensusIsotopePattern.h:71
Definition: ConsensusIsotopePattern.h:57
std::map< double, double > isotopesTrace_
Definition: ConsensusIsotopePattern.h:66
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)
std::vector< double > mzIsotopesStDev_
Definition: ConsensusIsotopePattern.h:67
std::map< double, double >::iterator getConsensIsotopeIteratorEnd()
Definition: ConsensusIsotopePattern.h:119
std::vector< double > intensIsotopesStDev_
Definition: ConsensusIsotopePattern.h:68

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:21:59 using doxygen 1.8.13