OpenMS  2.5.0
CentroidData.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Markus Mueller $
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35 /*
36  * CentroidData.h
37  * PeakDetection
38  *
39  * Created by Markus Mueller on 10/19/06.
40  *
41  * Ported to OpenMS by Florian Zeller, florian.zeller@bsse.ethz.ch
42  * December 2010
43  *
44  */
45 
46 #pragma once
47 
48 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h>
49 
50 #include <OpenMS/CONCEPT/Types.h>
51 
54 
55 #include <list>
56 #include <vector>
57 
58 #include <boost/shared_ptr.hpp>
59 
60 namespace OpenMS
61 {
62 
63  class SUPERHIRN_DLLAPI CentroidData
64  {
65 public:
66 
67  /*
68  static double sfMassTolPpm;
69  static double sfMassTolDa;
70  static double sfMinIntensity;
71  static double sfIntensityFloor;
72  */
73  // debugging parameters => used by other classes :( :( :(
74  /*
75  static bool MonoIsoDebugging;
76  static double DebugMonoIsoMassMin;
77  static double DebugMonoIsoMassMax;
78  */
79 
80  CentroidData(int, boost::shared_ptr<RawData>, bool);
81  CentroidData(int, boost::shared_ptr<RawData>, double, bool);
82  virtual ~CentroidData();
83 
84  void get(std::list<CentroidPeak> &);
85  void set(boost::shared_ptr<RawData>);
86  void set(std::vector<double> &, std::vector<double> &);
87 
88  void setWidth(int pWidth);
89 
90  int getWidth();
91 
92  void setNoise(double);
93  double getNoise();
94 
95  void removeNoise();
96 
97  bool getNextPeakGroup(std::list<CentroidPeak>::iterator &, std::list<CentroidPeak>::iterator &);
98  void resetPeakGroupIter();
99 
101 
102 protected:
103 
104  void calcCentroids(boost::shared_ptr<RawData>);
105 
107  double fNoise;
109  std::list<CentroidPeak> fCentroidPeaks;
110  std::list<CentroidPeak>::iterator fPeakGroupStart;
111  };
112 
113  std::ostream & operator<<(std::ostream &, CentroidData &);
114 
115 } // ns
116 
OpenMS::CentroidData::fPeakGroupStart
std::list< CentroidPeak >::iterator fPeakGroupStart
Definition: CentroidData.h:110
Types.h
CentroidPeak.h
OpenMS::CentroidData::fScanRetentionTime
double fScanRetentionTime
Definition: CentroidData.h:108
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
RawData.h
OpenMS::CentroidData::fWindowWidth
int fWindowWidth
Definition: CentroidData.h:106
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS::CentroidData::fNoise
double fNoise
Definition: CentroidData.h:107
OpenMS::CentroidData
Definition: CentroidData.h:63
OpenMS::CentroidData::centroidDataModus_
bool centroidDataModus_
Definition: CentroidData.h:100
OpenMS::CentroidData::fCentroidPeaks
std::list< CentroidPeak > fCentroidPeaks
Definition: CentroidData.h:109