Mass++ Common Libraries v2.7.5
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SpectraChromatogram.h
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1 
12 #ifndef __KOME_OBJECTS_GROUP_CHROMAOTGRAM_H__
13 #define __KOME_OBJECTS_GROUP_CHROMAOTGRAM_H__
14 
15 
16 #include "DataObjectsCommon.h"
17 #include "Chromatogram.h"
18 
19 #include <vector>
20 
21 
22 namespace kome {
23  namespace objects {
24 
29  class DATA_OBJECTS_CLASS SpectraChromatogram : public Chromatogram {
30  public:
37  SpectraChromatogram( DataSet& dataSet, bool bProces=false );
38 
43  virtual ~SpectraChromatogram();
44 
45  protected:
48 
50  double m_minMz;
51 
53  double m_maxMz;
54 
56  double m_minRt;
57 
59  double m_maxRt;
60 
62  unsigned char m_filter;
63 
65  bool m_tic;
66 
68  bool m_proc;
69  protected:
71  static const unsigned char m_msFilters[];
72 
73  public:
79  DataSet& getMemberSpectra();
80 
87  void setMzRange( const double minMz, const double maxMz );
88 
94  void setMinMz( const double mz );
95 
101  void setMaxMz( const double mz );
102 
108  double getMinMz();
109 
115  double getMaxMz();
116 
123  void setRtRange( const double minRt, const double maxRt );
124 
130  void setMinRt( const double rt );
131 
137  void setMaxRt( const double rt );
138 
144  double getMinRt();
145 
151  double getMaxRt();
152 
162  void setFilter( const unsigned char filter );
163 
173  unsigned char getFilter();
174 
179  void setTIC();
180 
185  void setBPC();
186 
192  bool isTIC();
193 
199  bool isBPC();
200 
201  protected:
206  void setTitle();
207 
212  void getIntensities();
213 
219  void getMemberSpectra( std::vector< Spectrum* >& spectra );
220 
233  int searchSpectrumIndex(
234  std::vector< Spectrum* >& spectra,
235  const double rt,
236  SearchType search
237  );
238 
239  protected:
245  virtual void onGetXYData( kome::core::XYData* const xyData );
246 
262  virtual void onGetSpectra(
263  DataSet& spectra,
264  const double startRt,
265  const double endRt,
266  const SearchType startSearch,
267  const SearchType endSearch
268  );
269 
276  virtual double onGetMass( const unsigned int index );
277 
284  virtual int onGetMsStage( const unsigned int index );
285 
292  virtual double onGetPrecursor( const unsigned int index );
293  };
294  }
295 }
296 
297 #endif // __KOME_OBJECTS_GROUP_CHROMAOTGRAM_H__
abstraction class of two dimention coordinate data
Definition: XYData.h:34
interfaces of Chromatogram class
DataObjects library common type.
SearchType
search type
one or more spectra management class
Definition: DataSet.h:31
chromatogram information management class
Definition: Chromatogram.h:33
spectrum group chromatogram class