| OpenMS 2.5.0

MultiplexFilteredMSExperiment.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Lars Nilse $
32 // $Authors: Lars Nilse $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/KERNEL/StandardTypes.h>
38 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexFilteredPeak.h>
39
40 #include <vector>
41 #include <algorithm>
42 #include <iostream>
43
44 namespace OpenMS
45 {
52 class OPENMS_DLLAPI MultiplexFilteredMSExperiment
53 {
54 public:
58 MultiplexFilteredMSExperiment();
59
63 void addPeak(const MultiplexFilteredPeak& peak);
64
68 MultiplexFilteredPeak getPeak(size_t i) const;
69
73 double getMZ(size_t i) const;
74
78 std::vector<double> getMZ() const;
79
83 double getRT(size_t i) const;
84
88 std::vector<double> getRT() const;
89
93 size_t size() const;
94
101 void writeDebugOutput(const MSExperiment& exp_picked, String debug_out) const;
102
103 private:
107 std::vector<MultiplexFilteredPeak> result_;
108
109 };
110
111 }
112
OpenMS::String
A more convenient string class.
Definition: String.h:58
MultiplexFilteredPeak.h
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::MultiplexFilteredPeak
data structure storing a single peak that passed all filters
Definition: MultiplexFilteredPeak.h:70
StandardTypes.h
OpenMS::MultiplexFilteredMSExperiment::result_
std::vector< MultiplexFilteredPeak > result_
peaks which passed the peak pattern filter
Definition: MultiplexFilteredMSExperiment.h:107
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::MultiplexFilteredMSExperiment
data structure storing all peaks (and optionally their raw data points) of an experiment correspondin...
Definition: MultiplexFilteredMSExperiment.h:52