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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 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_DEISOTOPER_H
47 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_DEISOTOPER_H
48 
49 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h>
50 #include <OpenMS/CONCEPT/Types.h>
51 
52 #include <list>
53 #include <iosfwd>
54 
55 namespace OpenMS
56 {
57 
58  class CentroidData;
59  class DeconvPeak;
60 
61  class SUPERHIRN_DLLAPI Deisotoper
62  {
63 public:
64 // static int sfMinCharge;
65 // static int sfMaxCharge;
66 
67  Deisotoper();
69  virtual ~Deisotoper();
70 
71  inline std::list<DeconvPeak>& getDeconvPeaks() {return fDeconvPeaks; }
72 
73  void go(CentroidData&);
74  void cleanDeconvPeaks();
75 
76  inline int getMinPeakGroupSize() {return fMinPeakGroupSize; }
77  inline double getTheta() {return fTheta; }
78  inline int getScanNumber() {return fScanNumber; }
79  inline bool getShortReportFlag() {return fShortReportFlag; }
80 
81  inline void setMinPeakGroupSize(int pMinPeakGroupSize) {fMinPeakGroupSize = pMinPeakGroupSize; }
82  inline void setTheta(double pTheta) {fTheta = pTheta; }
83  inline void setScanNumber(int pScanNumber) {fScanNumber = pScanNumber; }
84  inline void setShortReportFlag(bool pShortReportFlag) {fShortReportFlag = pShortReportFlag; }
85 
86 protected:
87 
88  std::list<DeconvPeak> fDeconvPeaks;
89 
91  double fTheta;
94  };
95 
96  SUPERHIRN_DLLAPI std::ostream& operator<<(std::ostream&, Deisotoper&);
97 
98 } // ns
99 
100 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_DEISOTOPER_H
void setMinPeakGroupSize(int pMinPeakGroupSize)
Definition: Deisotoper.h:81
bool getShortReportFlag()
Definition: Deisotoper.h:79
Definition: Deisotoper.h:61
double getTheta()
Definition: Deisotoper.h:77
Definition: CentroidData.h:64
int getMinPeakGroupSize()
Definition: Deisotoper.h:76
int fScanNumber
Definition: Deisotoper.h:92
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double fTheta
Definition: Deisotoper.h:91
void setShortReportFlag(bool pShortReportFlag)
Definition: Deisotoper.h:84
int getScanNumber()
Definition: Deisotoper.h:78
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
bool fShortReportFlag
Definition: Deisotoper.h:93
std::list< DeconvPeak > fDeconvPeaks
Definition: Deisotoper.h:88
void setScanNumber(int pScanNumber)
Definition: Deisotoper.h:83
std::list< DeconvPeak > & getDeconvPeaks()
Definition: Deisotoper.h:71
int fMinPeakGroupSize
Definition: Deisotoper.h:90
void setTheta(double pTheta)
Definition: Deisotoper.h:82

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