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MultiplexFilteredPeak.h
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31 // $Maintainer: Lars Nilse $
32 // $Authors: Lars Nilse $
33 // --------------------------------------------------------------------------
34
35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXFILTEREDPEAK_H
36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXFILTEREDPEAK_H
37
38 #include <OpenMS/KERNEL/StandardTypes.h>
39 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexSatelliteCentroided.h>
40 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexSatelliteProfile.h>
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::mz_idx_
size_t mz_idx_
indices of the primary peak position in the centroided experiment
Definition: MultiplexFilteredPeak.h:158
OpenMS::MultiplexSatelliteProfile
data structure storing a single satellite data point
Definition: MultiplexSatelliteProfile.h:47
OpenMS::MultiplexFilteredPeak
data structure storing a single peak that passed all filters
Definition: MultiplexFilteredPeak.h:70
StandardTypes.h
OpenMS::MultiplexSatelliteCentroided
data structure storing a single satellite peak
Definition: MultiplexSatelliteCentroided.h:54
MultiplexSatelliteCentroided.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::MultiplexFilteredPeak::satellites_
std::multimap< size_t, MultiplexSatelliteCentroided > satellites_
set of satellites
Definition: MultiplexFilteredPeak.h:178
MultiplexSatelliteProfile.h
OpenMS::MultiplexFilteredPeak::rt_
float rt_
Definition: MultiplexFilteredPeak.h:150
OpenMS::MultiplexFilteredPeak::mz_
double mz_
position of the primary peak
Definition: MultiplexFilteredPeak.h:149
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::rt_idx_
size_t rt_idx_
Definition: MultiplexFilteredPeak.h:159