OpenMS  2.8.0
Observation.h
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31 // $Maintainer: Hendrik Weisser $
32 // $Authors: Hendrik Weisser $
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34 
35 #pragma once
36 
40 
41 #include <boost/multi_index_container.hpp>
42 #include <boost/multi_index/ordered_index.hpp>
43 #include <boost/multi_index/composite_key.hpp>
44 #include <boost/multi_index/member.hpp>
45 
46 namespace OpenMS
47 {
48  namespace IdentificationDataInternal
49  {
54  {
57 
60 
61  double rt, mz; //< Position
62 
64  explicit Observation(
65  const String& data_id,
66  const InputFileRef& input_file,
67  double rt = std::numeric_limits<double>::quiet_NaN(),
68  double mz = std::numeric_limits<double>::quiet_NaN()):
70  {
71  }
72 
74  Observation& merge(const Observation& other)
75  {
76  // merge meta info - existing entries may be overwritten:
77  addMetaValues(other);
78  rt = other.rt;
79  mz = other.mz;
80  return *this;
81  }
82  };
83 
84  // combination of input file and data ID must be unique:
85  typedef boost::multi_index_container<
86  Observation,
87  boost::multi_index::indexed_by<
88  boost::multi_index::ordered_unique<
89  boost::multi_index::composite_key<
90  Observation,
91  boost::multi_index::member<Observation, InputFileRef,
93  boost::multi_index::member<Observation, String,
97  }
98 }
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:61
void addMetaValues(const MetaInfoInterface &from)
function to copy all meta values from one object to this one
A more convenient string class.
Definition: String.h:60
boost::multi_index_container< Observation, boost::multi_index::indexed_by< boost::multi_index::ordered_unique< boost::multi_index::composite_key< Observation, boost::multi_index::member< Observation, InputFileRef, &Observation::input_file >, boost::multi_index::member< Observation, String, &Observation::data_id > > > > > Observations
Definition: Observation.h:95
IteratorWrapper< Observations::iterator > ObservationRef
Definition: Observation.h:96
IteratorWrapper< InputFiles::iterator > InputFileRef
Definition: include/OpenMS/METADATA/ID/InputFile.h:95
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Representation of an observation, e.g. a spectrum or feature, in an input data file.
Definition: Observation.h:54
Observation(const String &data_id, const InputFileRef &input_file, double rt=std::numeric_limits< double >::quiet_NaN(), double mz=std::numeric_limits< double >::quiet_NaN())
Constructor.
Definition: Observation.h:64
double mz
Definition: Observation.h:61
InputFileRef input_file
Reference to the input file.
Definition: Observation.h:59
String data_id
Spectrum or feature ID (from the file referenced by @t input_file)
Definition: Observation.h:56
double rt
Definition: Observation.h:61
Observation & merge(const Observation &other)
Merge in data from another object.
Definition: Observation.h:74