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OpenMS
2.6.0
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42 #include <boost/multi_index_container.hpp>
43 #include <boost/multi_index/ordered_index.hpp>
44 #include <boost/multi_index/composite_key.hpp>
45 #include <boost/variant.hpp>
49 namespace IdentificationDataInternal
53 typedef std::map<boost::optional<ProcessingStepRef>,
112 String msg =
"matched molecule is not a peptide";
114 OPENMS_PRETTY_FUNCTION, msg);
124 String msg =
"matched molecule is not a compound";
126 OPENMS_PRETTY_FUNCTION, msg);
136 String msg =
"matched molecule is not an oligonucleotide";
138 OPENMS_PRETTY_FUNCTION, msg);
152 typedef boost::multi_index_container<
154 boost::multi_index::indexed_by<
155 boost::multi_index::ordered_unique<
156 boost::multi_index::composite_key<
158 boost::multi_index::member<MoleculeQueryMatch,
DataQueryRef,
160 boost::multi_index::member<
std::map< boost::optional< ProcessingStepRef >, PeakAnnotations > PeakAnnotationSteps
Definition: MoleculeQueryMatch.h:54
MoleculeType
Definition: MetaData.h:63
A method or algorithm argument contains illegal values.
Definition: Exception.h:648
MoleculeType getMoleculeType() const
Definition: MoleculeQueryMatch.h:88
PeakAnnotationSteps peak_annotations
Definition: MoleculeQueryMatch.h:71
MoleculeQueryMatch & operator+=(const MoleculeQueryMatch &other)
Definition: MoleculeQueryMatch.h:141
A more convenient string class.
Definition: String.h:59
Definition: MetaData.h:65
AppliedProcessingSteps steps_and_scores
Definition: ScoredProcessingResult.h:46
IteratorWrapper< MoleculeQueryMatches::iterator > QueryMatchRef
Definition: MoleculeQueryMatch.h:164
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
std::vector< PeptideHit::PeakAnnotation > PeakAnnotations
Definition: MoleculeQueryMatch.h:52
Wrapper that adds operator< to iterators, so they can be used as (part of) keys in maps/sets or multi...
Definition: MetaData.h:43
Meta data for a search hit (e.g. peptide-spectrum match).
Definition: MoleculeQueryMatch.h:61
boost::variant< IdentifiedPeptideRef, IdentifiedCompoundRef, IdentifiedOligoRef > IdentifiedMoleculeRef
Definition: MoleculeQueryMatch.h:57
boost::multi_index_container< MoleculeQueryMatch, boost::multi_index::indexed_by< boost::multi_index::ordered_unique< boost::multi_index::composite_key< MoleculeQueryMatch, boost::multi_index::member< MoleculeQueryMatch, DataQueryRef, &MoleculeQueryMatch::data_query_ref >, boost::multi_index::member< MoleculeQueryMatch, IdentifiedMoleculeRef, &MoleculeQueryMatch::identified_molecule_ref > > > > > MoleculeQueryMatches
Definition: MoleculeQueryMatch.h:163
Definition: MetaData.h:68
Definition: MetaData.h:66
Definition: MetaData.h:67
IdentifiedCompoundRef getIdentifiedCompoundRef() const
Definition: MoleculeQueryMatch.h:117
boost::multi_index_container< AppliedProcessingStep, boost::multi_index::indexed_by< boost::multi_index::sequenced<>, boost::multi_index::ordered_unique< boost::multi_index::member< AppliedProcessingStep, boost::optional< ProcessingStepRef >, &AppliedProcessingStep::processing_step_opt > > > > AppliedProcessingSteps
Definition: AppliedProcessingStep.h:116
Base class for ID data with scores and processing steps (and meta info)
Definition: ScoredProcessingResult.h:44
IdentifiedMoleculeRef identified_molecule_ref
Definition: MoleculeQueryMatch.h:63
MoleculeQueryMatch(IdentifiedMoleculeRef identified_molecule_ref, DataQueryRef data_query_ref, Int m_charge=0, const AppliedProcessingSteps &steps_and_scores=AppliedProcessingSteps(), const PeakAnnotationSteps &peak_annotations=PeakAnnotationSteps())
Definition: MoleculeQueryMatch.h:73
DataQueryRef data_query_ref
Definition: MoleculeQueryMatch.h:65
IdentifiedOligoRef getIdentifiedOligoRef() const
Definition: MoleculeQueryMatch.h:129
IteratorWrapper< DataQueries::iterator > DataQueryRef
Definition: DataQuery.h:90
IdentifiedPeptideRef getIdentifiedPeptideRef() const
Definition: MoleculeQueryMatch.h:105
Int charge
Definition: MoleculeQueryMatch.h:67
ScoredProcessingResult & operator+=(const ScoredProcessingResult &other)
Merge in data from another object.
Definition: ScoredProcessingResult.h:107
IteratorWrapper< IdentifiedPeptides::iterator > IdentifiedPeptideRef
Definition: IdentifiedSequence.h:116
IteratorWrapper< IdentifiedCompounds::iterator > IdentifiedCompoundRef
Definition: IdentifiedCompound.h:80