OpenMS  2.6.0
DataQuery.h
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31 // $Maintainer: Hendrik Weisser $
32 // $Authors: Hendrik Weisser $
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34 
35 #pragma once
36 
38 
39 #include <boost/optional.hpp>
40 
41 namespace OpenMS
42 {
43  namespace IdentificationDataInternal
44  {
48  {
51 
52  // @TODO: make this non-optional (i.e. required)?
53  boost::optional<InputFileRef> input_file_opt;
54 
55  double rt, mz; // position
56 
57  explicit DataQuery(
58  const String& data_id,
59  boost::optional<InputFileRef> input_file_opt = boost::none,
60  double rt = std::numeric_limits<double>::quiet_NaN(),
61  double mz = std::numeric_limits<double>::quiet_NaN()):
63  {
64  }
65 
66  DataQuery(const DataQuery& other) = default;
67 
68  // ignore RT and m/z for comparisons to avoid issues with rounding:
69  bool operator<(const DataQuery& other) const
70  {
71  // can't compare references directly, so compare addresses:
72  const String* sp = input_file_opt ? &(**input_file_opt) : nullptr;
73  const String* o_sp = other.input_file_opt ? &(**other.input_file_opt) :
74  nullptr;
75  return std::tie(sp, data_id) < std::tie(o_sp, other.data_id);
76  }
77 
78  // ignore RT and m/z for comparisons to avoid issues with rounding:
79  bool operator==(const DataQuery& other) const
80  {
81  return std::tie(input_file_opt, data_id) ==
82  std::tie(other.input_file_opt, other.data_id);
83  }
84 
85  // @TODO: do we need an "experiment label" (used e.g. in pepXML)?
86  // if yes, should it be stored here or together with the input file?
87  };
88 
89  typedef std::set<DataQuery> DataQueries;
91 
92  }
93 }
OpenMS::IdentificationDataInternal::DataQuery::mz
double mz
Definition: DataQuery.h:55
MetaData.h
OpenMS::String
A more convenient string class.
Definition: String.h:59
OpenMS::IdentificationDataInternal::DataQuery::input_file_opt
boost::optional< InputFileRef > input_file_opt
Definition: DataQuery.h:53
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::IdentificationDataInternal::DataQuery::data_id
String data_id
spectrum or feature ID (from the file referenced by "input_file_ref"):
Definition: DataQuery.h:50
OpenMS::MetaInfoInterface
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:60
OpenMS::IdentificationDataInternal::IteratorWrapper< DataQueries::iterator >
OpenMS::IdentificationDataInternal::DataQuery
Search query, e.g. spectrum or feature.
Definition: DataQuery.h:47
OpenMS::IdentificationDataInternal::DataQuery::DataQuery
DataQuery(const String &data_id, boost::optional< InputFileRef > input_file_opt=boost::none, double rt=std::numeric_limits< double >::quiet_NaN(), double mz=std::numeric_limits< double >::quiet_NaN())
Definition: DataQuery.h:57
OpenMS::IdentificationDataInternal::DataQuery::rt
double rt
Definition: DataQuery.h:55
OpenMS::IdentificationDataInternal::DataQueryRef
IteratorWrapper< DataQueries::iterator > DataQueryRef
Definition: DataQuery.h:90
OpenMS::IdentificationDataInternal::DataQuery::operator==
bool operator==(const DataQuery &other) const
Definition: DataQuery.h:79
OpenMS::IdentificationDataInternal::DataQuery::operator<
bool operator<(const DataQuery &other) const
Definition: DataQuery.h:69
OpenMS::IdentificationDataInternal::DataQueries
std::set< DataQuery > DataQueries
Definition: DataQuery.h:89