OpenMS  2.5.0
superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Markus Mueller $
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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 
90  double fTheta;
93  };
94 
95  SUPERHIRN_DLLAPI std::ostream& operator<<(std::ostream&, Deisotoper&);
96 
97 } // ns
98 
Types.h
OpenMS::Deisotoper::setTheta
void setTheta(double pTheta)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:81
OpenMS::Deisotoper::getShortReportFlag
bool getShortReportFlag()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:78
OpenMS::Deisotoper::fTheta
double fTheta
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:90
OpenMS::Deisotoper::fMinPeakGroupSize
int fMinPeakGroupSize
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:89
OpenMS::Deisotoper::getMinPeakGroupSize
int getMinPeakGroupSize()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:75
OpenMS::Deisotoper::fDeconvPeaks
std::list< DeconvPeak > fDeconvPeaks
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:87
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::Deisotoper::fScanNumber
int fScanNumber
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:91
OpenMS::Deisotoper::getTheta
double getTheta()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:76
OpenMS::Deisotoper::getDeconvPeaks
std::list< DeconvPeak > & getDeconvPeaks()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:70
OpenMS::Deisotoper::setMinPeakGroupSize
void setMinPeakGroupSize(int pMinPeakGroupSize)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:80
OpenMS::Deisotoper::setScanNumber
void setScanNumber(int pScanNumber)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:82
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS::Deisotoper
Definition: openms/include/OpenMS/FILTERING/DATAREDUCTION/Deisotoper.h:46
OpenMS::CentroidData
Definition: CentroidData.h:63
OpenMS::Deisotoper::setShortReportFlag
void setShortReportFlag(bool pShortReportFlag)
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:83
OpenMS::Deisotoper::getScanNumber
int getScanNumber()
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:77
OpenMS::Deisotoper::fShortReportFlag
bool fShortReportFlag
Definition: superhirn/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/Deisotoper.h:92