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superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Markus Mueller $
33 // --------------------------------------------------------------------------
34 //
35 /*
36 * Deisotoper.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 #include <OpenMS/CONCEPT/Types.h>
50
51 #include <list>
52 #include <iosfwd>
53
54 namespace OpenMS
55 {
56
57 class CentroidData;
58 class DeconvPeak;
59
60 class SUPERHIRN_DLLAPI Deisotoper
61 {
62 public:
63 // static int sfMinCharge;
64 // static int sfMaxCharge;
65
66 Deisotoper();
67 Deisotoper(CentroidData&);
68 virtual ~Deisotoper();
69
70 inline std::list<DeconvPeak>& getDeconvPeaks() {return fDeconvPeaks; }
71
72 void go(CentroidData&);
73 void cleanDeconvPeaks();
74
75 inline int getMinPeakGroupSize() {return fMinPeakGroupSize; }
76 inline double getTheta() {return fTheta; }
77 inline int getScanNumber() {return fScanNumber; }
78 inline bool getShortReportFlag() {return fShortReportFlag; }
79
80 inline void setMinPeakGroupSize(int pMinPeakGroupSize) {fMinPeakGroupSize = pMinPeakGroupSize; }
81 inline void setTheta(double pTheta) {fTheta = pTheta; }
82 inline void setScanNumber(int pScanNumber) {fScanNumber = pScanNumber; }
83 inline void setShortReportFlag(bool pShortReportFlag) {fShortReportFlag = pShortReportFlag; }
84
85 protected:
86
87 std::list<DeconvPeak> fDeconvPeaks;
88
89 int fMinPeakGroupSize;
90 double fTheta;
91 int fScanNumber;
92 bool fShortReportFlag;
93 };
94
95 SUPERHIRN_DLLAPI std::ostream& operator<<(std::ostream&, Deisotoper&);
96
97 } // ns
98
OpenMS::Deisotoper::fShortReportFlag
bool fShortReportFlag
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:92
OpenMS::Deisotoper::fMinPeakGroupSize
int fMinPeakGroupSize
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:89
OpenMS::Deisotoper::getScanNumber
int getScanNumber()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:77
OpenMS::Deisotoper::getTheta
double getTheta()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:76
OpenMS::Deisotoper
Definition: openms/include/OpenMS/FILTERING/DATAREDUCTION/Deisotoper.h:46
Types.h
OpenMS::Deisotoper::setMinPeakGroupSize
void setMinPeakGroupSize(int pMinPeakGroupSize)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:80
OpenMS::CentroidData
Definition: CentroidData.h:63
OpenMS::Deisotoper::getShortReportFlag
bool getShortReportFlag()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:78
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::Deisotoper::fTheta
double fTheta
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:90
OpenMS::Deisotoper::setTheta
void setTheta(double pTheta)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:81
OpenMS::Deisotoper::fDeconvPeaks
std::list< DeconvPeak > fDeconvPeaks
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:87
OpenMS::Deisotoper::getDeconvPeaks
std::list< DeconvPeak > & getDeconvPeaks()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:70
OpenMS::Deisotoper::fScanNumber
int fScanNumber
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:91
OpenMS::Deisotoper::setShortReportFlag
void setShortReportFlag(bool pShortReportFlag)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:83
OpenMS::Deisotoper::getMinPeakGroupSize
int getMinPeakGroupSize()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:75
OpenMS::Deisotoper::setScanNumber
void setScanNumber(int pScanNumber)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:82