| OpenMS 2.5.0

Public Member Functions | Public Attributes | List of all members
MoleculeQueryMatch Struct Reference

Meta data for a search hit (e.g. peptide-spectrum match). More...

`#include <OpenMS/METADATA/ID/MoleculeQueryMatch.h>`

Inheritance diagram for MoleculeQueryMatch:

## Public Member Functions

| MoleculeQueryMatch (IdentifiedMoleculeRef identified_molecule_ref, DataQueryRef data_query_ref, Int m_charge=0, const AppliedProcessingSteps &steps_and_scores=AppliedProcessingSteps(), const PeakAnnotationSteps &peak_annotations=PeakAnnotationSteps())
| MoleculeQueryMatch (const MoleculeQueryMatch &)=default
MoleculeType | getMoleculeType () const
IdentifiedPeptideRef | getIdentifiedPeptideRef () const
IdentifiedCompoundRef | getIdentifiedCompoundRef () const
IdentifiedOligoRef | getIdentifiedOligoRef () const
MoleculeQueryMatch & | operator+= (const MoleculeQueryMatch &other)
Public Member Functions inherited from ScoredProcessingResult
AppliedProcessingSteps::nth_index< 1 >::type & | getStepsAndScoresByStep ()
| Return the applied processing steps (incl. scores) as a set ordered by processing step reference (option) More...
const AppliedProcessingSteps::nth_index< 1 >::type & | getStepsAndScoresByStep () const
| Return the applied processing steps (incl. scores) as a set ordered by processing step reference (option) - const variant. More...
void | addProcessingStep (const AppliedProcessingStep &step)
void | addProcessingStep (ProcessingStepRef step_ref, const std::map< ScoreTypeRef, double > &scores=std::map< ScoreTypeRef, double >())
| Add a processing step (and associated scores, if any) More...
void | addScore (ScoreTypeRef score_type, double score, const boost::optional< ProcessingStepRef > &processing_step_opt=boost::none)
| Add a score (possibly connected to a processing step) More...
ScoredProcessingResult & | operator+= (const ScoredProcessingResult &other)
| Merge in data from another object. More...
std::pair< double, bool > | getScore (ScoreTypeRef score_ref) const
std::pair< double, bool > | getScore (ScoreTypeRef score_ref, boost::optional< ProcessingStepRef > processing_step_opt) const
std::tuple< double, boost::optional< ProcessingStepRef >, bool > | getScoreAndStep (ScoreTypeRef score_ref) const
Public Member Functions inherited from MetaInfoInterface
| MetaInfoInterface ()
| Constructor. More...
| MetaInfoInterface (const MetaInfoInterface &rhs)
| Copy constructor. More...
| MetaInfoInterface (MetaInfoInterface &&) noexcept
| Move constructor. More...
| ~MetaInfoInterface ()
| Destructor. More...
MetaInfoInterface & | operator= (const MetaInfoInterface &rhs)
| Assignment operator. More...
MetaInfoInterface & | operator= (MetaInfoInterface &&) noexcept
| Move assignment operator. More...
bool | operator== (const MetaInfoInterface &rhs) const
| Equality operator. More...
bool | operator!= (const MetaInfoInterface &rhs) const
| Equality operator. More...
const DataValue & | getMetaValue (const String &name, const DataValue &default_value=DataValue::EMPTY) const
| Returns the value corresponding to a string, or a default value (default: DataValue::EMPTY) if not found. More...
const DataValue & | getMetaValue (UInt index, const DataValue &default_value=DataValue::EMPTY) const
| Returns the value corresponding to an index, or a default value (default: DataValue::EMPTY) if not found. More...
bool | metaValueExists (const String &name) const
| Returns whether an entry with the given name exists. More...
bool | metaValueExists (UInt index) const
| Returns whether an entry with the given index exists. More...
void | setMetaValue (const String &name, const DataValue &value)
| Sets the DataValue corresponding to a name. More...
void | setMetaValue (UInt index, const DataValue &value)
| Sets the DataValue corresponding to an index. More...
void | removeMetaValue (const String &name)
| Removes the DataValue corresponding to `name` if it exists. More...
void | removeMetaValue (UInt index)
| Removes the DataValue corresponding to `index` if it exists. More...
void | getKeys (std::vector< String > &keys) const
| Fills the given vector with a list of all keys for which a value is set. More...
void | getKeys (std::vector< UInt > &keys) const
| Fills the given vector with a list of all keys for which a value is set. More...
bool | isMetaEmpty () const
| Returns if the MetaInfo is empty. More...
void | clearMetaInfo ()
| Removes all meta values. More...

## Public Attributes

IdentifiedMoleculeRef | identified_molecule_ref
DataQueryRef | data_query_ref
Int | charge
PeakAnnotationSteps | peak_annotations
Public Attributes inherited from ScoredProcessingResult
AppliedProcessingSteps | steps_and_scores

## Additional Inherited Members

Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistry & | metaRegistry ()
| Returns a reference to the MetaInfoRegistry. More...
Protected Member Functions inherited from ScoredProcessingResult
| ScoredProcessingResult (const AppliedProcessingSteps &steps_and_scores=AppliedProcessingSteps())
| ScoredProcessingResult (const ScoredProcessingResult &)=default
Protected Member Functions inherited from MetaInfoInterface
void | createIfNotExists_ ()
| Creates the MetaInfo object if it does not exist. More...
Protected Attributes inherited from MetaInfoInterface
MetaInfo * | meta_
| Pointer to the MetaInfo object (0 by default) More...

## Detailed Description

Meta data for a search hit (e.g. peptide-spectrum match).

## Constructor & Destructor Documentation

## ◆ MoleculeQueryMatch() [1/2]

MoleculeQueryMatch | ( | IdentifiedMoleculeRef | identified_molecule_ref,
|  | DataQueryRef | data_query_ref,
|  | Int | m_charge = `0`,
|  | const AppliedProcessingSteps & | steps_and_scores = `AppliedProcessingSteps()`,
|  | const PeakAnnotationSteps & | peak_annotations = `PeakAnnotationSteps()`
| ) |  |

inline explicit

## ◆ MoleculeQueryMatch() [2/2]

MoleculeQueryMatch | ( | const MoleculeQueryMatch & |  | ) |

default

## Member Function Documentation

## ◆ getIdentifiedCompoundRef()

IdentifiedCompoundRef getIdentifiedCompoundRef | ( |  | ) | const

inline

References MoleculeQueryMatch::identified_molecule_ref.

## ◆ getIdentifiedOligoRef()

IdentifiedOligoRef getIdentifiedOligoRef | ( |  | ) | const

inline

References MoleculeQueryMatch::identified_molecule_ref.

## ◆ getIdentifiedPeptideRef()

IdentifiedPeptideRef getIdentifiedPeptideRef | ( |  | ) | const

inline

References MoleculeQueryMatch::identified_molecule_ref.

## ◆ getMoleculeType()

MoleculeType getMoleculeType | ( |  | ) | const

inline

References OpenMS::IdentificationDataInternal::COMPOUND, MoleculeQueryMatch::identified_molecule_ref, OpenMS::IdentificationDataInternal::PROTEIN, OpenMS::IdentificationDataInternal::RNA, and OpenMS::IdentificationDataInternal::SIZE_OF_MOLECULETYPE.

## ◆ operator+=()

MoleculeQueryMatch& operator+= | ( | const MoleculeQueryMatch & | other | ) |

inline

References MoleculeQueryMatch::charge, ScoredProcessingResult::operator+=(), and MoleculeQueryMatch::peak_annotations.

## Member Data Documentation

## ◆ charge

Int charge

Referenced by IdentificationDataConverter::exportQueryMatchToMzTab_(), and MoleculeQueryMatch::operator+=().

## ◆ data_query_ref

DataQueryRef data_query_ref

Referenced by IdentificationDataConverter::exportQueryMatchToMzTab_().

## ◆ identified_molecule_ref

IdentifiedMoleculeRef identified_molecule_ref

Referenced by MoleculeQueryMatch::getIdentifiedCompoundRef(), MoleculeQueryMatch::getIdentifiedOligoRef(), MoleculeQueryMatch::getIdentifiedPeptideRef(), and MoleculeQueryMatch::getMoleculeType().

## ◆ peak_annotations

PeakAnnotationSteps peak_annotations

Referenced by MoleculeQueryMatch::operator+=(), and NucleicAcidSearchEngine::postProcessHits_().