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CentroidData.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Markus Mueller $
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34 //
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
52 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/CentroidPeak.h>
53 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/RawData.h>
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
100 bool centroidDataModus_;
101
102 protected:
103
104 void calcCentroids(boost::shared_ptr<RawData>);
105
106 int fWindowWidth;
107 double fNoise;
108 double fScanRetentionTime;
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::centroidDataModus_
bool centroidDataModus_
Definition: CentroidData.h:100
OpenMS::CentroidData::fCentroidPeaks
std::list< CentroidPeak > fCentroidPeaks
Definition: CentroidData.h:109
Types.h
OpenMS::CentroidData::fNoise
double fNoise
Definition: CentroidData.h:107
OpenMS::CentroidData::fPeakGroupStart
std::list< CentroidPeak >::iterator fPeakGroupStart
Definition: CentroidData.h:110
OpenMS::CentroidData
Definition: CentroidData.h:63
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
CentroidPeak.h
OpenMS::CentroidData::fScanRetentionTime
double fScanRetentionTime
Definition: CentroidData.h:108
RawData.h
OpenMS::CentroidData::fWindowWidth
int fWindowWidth
Definition: CentroidData.h:106