OpenMS  3.0.0
MultiplexFilteredPeak.h
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34 
35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXFILTEREDPEAK_H
36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXFILTEREDPEAK_H
37 
41 
42 #include <map>
43 #include <vector>
44 #include <algorithm>
45 #include <iostream>
46 
47 namespace OpenMS
48 {
70  class OPENMS_DLLAPI MultiplexFilteredPeak
71  {
72  public:
73 
77  MultiplexFilteredPeak(double mz, float rt, size_t mz_idx, size_t rt_idx);
78 
82  double getMZ() const;
83 
87  float getRT() const;
88 
92  size_t getMZidx() const;
93 
97  size_t getRTidx() const;
98 
102  void addSatellite(size_t rt_idx, size_t mz_idx, size_t pattern_idx);
103 
104  void addSatellite(const MultiplexSatelliteCentroided& satellite, size_t pattern_idx);
105 
109  void addSatelliteProfile(float rt, double mz, float intensity, size_t pattern_idx);
110 
111  void addSatelliteProfile(const MultiplexSatelliteProfile& satellite, size_t pattern_idx);
112 
116  bool checkSatellite(size_t rt_idx, size_t mz_idx) const;
117 
123  const std::multimap<size_t, MultiplexSatelliteCentroided >& getSatellites() const;
124 
130  const std::multimap<size_t, MultiplexSatelliteProfile >& getSatellitesProfile() const;
131 
135  size_t size() const;
136 
140  size_t sizeProfile() const;
141 
142  private:
149  double mz_;
150  float rt_;
151 
158  size_t mz_idx_;
159  size_t rt_idx_;
160 
178  std::multimap<size_t, MultiplexSatelliteCentroided > satellites_;
179 
194  std::multimap<size_t, MultiplexSatelliteProfile > satellites_profile_;
195 
196  };
197 
198 }
199 
200 #endif /* MULTIPLEXFILTEREDPEAK_H */
OpenMS::MultiplexFilteredPeak::rt_idx_
size_t rt_idx_
Definition: MultiplexFilteredPeak.h:159
OpenMS::MultiplexFilteredPeak::mz_idx_
size_t mz_idx_
indices of the primary peak position in the centroided experiment
Definition: MultiplexFilteredPeak.h:158
OpenMS::MultiplexFilteredPeak::satellites_
std::multimap< size_t, MultiplexSatelliteCentroided > satellites_
set of satellites
Definition: MultiplexFilteredPeak.h:178
OpenMS::MultiplexFilteredPeak::rt_
float rt_
Definition: MultiplexFilteredPeak.h:150
MultiplexSatelliteCentroided.h
OpenMS::MultiplexFilteredPeak::mz_
double mz_
position of the primary peak
Definition: MultiplexFilteredPeak.h:149
OpenMS::MultiplexSatelliteCentroided
data structure storing a single satellite peak
Definition: MultiplexSatelliteCentroided.h:54
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::MultiplexFilteredPeak::satellites_profile_
std::multimap< size_t, MultiplexSatelliteProfile > satellites_profile_
set of profile satellites (used on profile data only)
Definition: MultiplexFilteredPeak.h:194
OpenMS::MultiplexFilteredPeak
data structure storing a single peak that passed all filters
Definition: MultiplexFilteredPeak.h:70
MultiplexSatelliteProfile.h
OpenMS::MultiplexSatelliteProfile
data structure storing a single satellite data point
Definition: MultiplexSatelliteProfile.h:47
StandardTypes.h