| OpenMS 2.5.0

DataQuery.h
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Hendrik Weisser $
32 // $Authors: Hendrik Weisser $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/METADATA/ID/MetaData.h>
38
39 #include <boost/optional.hpp>
40
41 namespace OpenMS
42 {
43 namespace IdentificationDataInternal
44 {
47 struct DataQuery: public MetaInfoInterface
48 {
50 String data_id;
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()):
62 data_id(data_id), input_file_opt(input_file_opt), rt(rt), mz(mz)
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;
90 typedef IteratorWrapper<DataQueries::iterator> DataQueryRef;
91
92 }
93 }
OpenMS::IdentificationDataInternal::DataQuery::input_file_opt
boost::optional< InputFileRef > input_file_opt
Definition: DataQuery.h:53
OpenMS::String
A more convenient string class.
Definition: String.h:58
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::IdentificationDataInternal::DataQuery::operator==
bool operator==(const DataQuery &other) const
Definition: DataQuery.h:79
OpenMS::IdentificationDataInternal::IteratorWrapper< DataQueries::iterator >
OpenMS::IdentificationDataInternal::DataQueries
std::set< DataQuery > DataQueries
Definition: DataQuery.h:89
OpenMS::IdentificationDataInternal::DataQuery
Search query, e.g. spectrum or feature.
Definition: DataQuery.h:47
OpenMS::IdentificationDataInternal::DataQueryRef
IteratorWrapper< DataQueries::iterator > DataQueryRef
Definition: DataQuery.h:90
MetaData.h
OpenMS::IdentificationDataInternal::DataQuery::rt
double rt
Definition: DataQuery.h:55
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
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::mz
double mz
Definition: DataQuery.h:55
OpenMS::IdentificationDataInternal::DataQuery::operator<
bool operator<(const DataQuery &other) const
Definition: DataQuery.h:69
OpenMS::MetaInfoInterface
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:60