Representation of a peptide hit. More...

#include <OpenMS/METADATA/PeptideHit.h>

Inheritance diagram for PeptideHit:

Classes
struct	PeakAnnotation
	Contains annotations of a peak. More...

class	PepXMLAnalysisResult
	Analysis Result (containing search engine / prophet results) More...

class	RankLess
	Lesser predicate for scores of hits. More...

class	ScoreLess
	Lesser predicate for scores of hits. More...

class	ScoreMore
	Greater predicate for scores of hits. More...

class	SequenceLessComparator
	Lesser predicate for (modified) sequence of hits. More...

Public Member Functions
Constructors and Assignment
	PeptideHit ()
	Default constructor. More...

	PeptideHit (double score, UInt rank, Int charge, const AASequence &sequence)
	Values constructor that copies sequence. More...

	PeptideHit (double score, UInt rank, Int charge, AASequence &&sequence)
	Values constructor that moves sequence R-value. More...

	PeptideHit (const PeptideHit &source)
	Copy constructor. More...

	PeptideHit (PeptideHit &&) noexcept
	Move constructor. More...

virtual	~PeptideHit ()
	Destructor. More...

PeptideHit &	operator= (const PeptideHit &source)
	Assignment operator. More...

PeptideHit &	operator= (PeptideHit &&) noexcept
	Move assignment operator. More...

bool	operator== (const PeptideHit &rhs) const
	Equality operator. More...

bool	operator!= (const PeptideHit &rhs) const
	Inequality operator. More...

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...

Accessors
AASequence	sequence_

double	score_
	the score of the peptide hit More...

std::vector< PepXMLAnalysisResult > *	analysis_results_
	additional scores attached to the original, aggregated score More...

UInt	rank_
	the position(rank) where the hit appeared in the hit list More...

Int	charge_
	the charge of the peptide More...

std::vector< PeptideEvidence >	peptide_evidences_
	information on the potential peptides observed through this PSM. More...

std::vector< PeptideHit::PeakAnnotation >	fragment_annotations_
	annotations of fragments in the corresponding spectrum More...

const AASequence &	getSequence () const
	returns the peptide sequence without trailing or following spaces More...

void	setSequence (const AASequence &sequence)
	sets the peptide sequence More...

void	setSequence (AASequence &&sequence)
	sets the peptide sequence More...

Int	getCharge () const
	returns the charge of the peptide More...

void	setCharge (Int charge)
	sets the charge of the peptide More...

const std::vector< PeptideEvidence > &	getPeptideEvidences () const
	returns information on peptides (potentially) identified by this PSM More...

void	setPeptideEvidences (const std::vector< PeptideEvidence > &peptide_evidences)
	set information on peptides (potentially) identified by this PSM More...

void	setPeptideEvidences (std::vector< PeptideEvidence > &&peptide_evidences)

void	addPeptideEvidence (const PeptideEvidence &peptide_evidence)
	adds information on a peptide that is (potentially) identified by this PSM More...

double	getScore () const
	returns the PSM score More...

void	setScore (double score)
	sets the PSM score More...

void	setAnalysisResults (std::vector< PepXMLAnalysisResult > aresult)
	set information on (search engine) sub scores associated with this PSM More...

void	addAnalysisResults (PepXMLAnalysisResult aresult)
	add information on (search engine) sub scores associated with this PSM More...

const std::vector< PepXMLAnalysisResult > &	getAnalysisResults () const
	returns information on (search engine) sub scores associated with this PSM More...

UInt	getRank () const
	returns the PSM rank More...

void	setRank (UInt newrank)
	sets the PSM rank More...

std::vector< PeptideHit::PeakAnnotation >	getPeakAnnotations () const
	returns the fragment annotations More...

void	setPeakAnnotations (std::vector< PeptideHit::PeakAnnotation > frag_annotations)
	sets the fragment annotations More...

std::set< String >	extractProteinAccessionsSet () const
	extracts the set of non-empty protein accessions from peptide evidences More...

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 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

Representation of a peptide hit.

It contains the fields score, score_type, rank, and sequence.

Constructor & Destructor Documentation

◆ PeptideHit() [1/5]

PeptideHit ( )

Default constructor.

◆ PeptideHit() [2/5]

PeptideHit	(	double	score,
		UInt	rank,
		Int	charge,
		const AASequence &	sequence
	)

Values constructor that copies sequence.

◆ PeptideHit() [3/5]

PeptideHit	(	double	score,
		UInt	rank,
		Int	charge,
		AASequence &&	sequence
	)

Values constructor that moves sequence R-value.

◆ PeptideHit() [4/5]

PeptideHit ( const PeptideHit & source )

Copy constructor.

◆ PeptideHit() [5/5]

PeptideHit ( PeptideHit && )

noexcept

Move constructor.

◆ ~PeptideHit()

virtual ~PeptideHit ( )

virtual

Destructor.

Member Function Documentation

◆ addAnalysisResults()

void addAnalysisResults ( PepXMLAnalysisResult aresult )

add information on (search engine) sub scores associated with this PSM

◆ addPeptideEvidence()

void addPeptideEvidence ( const PeptideEvidence & peptide_evidence )

adds information on a peptide that is (potentially) identified by this PSM

◆ extractProteinAccessionsSet()

std::set<String> extractProteinAccessionsSet ( ) const

extracts the set of non-empty protein accessions from peptide evidences

Referenced by IDFilter::HasMatchingAccessionUnordered< HitType >::operator()(), and IDFilter::HasMatchingAccession< HitType >::operator()().

◆ getAnalysisResults()

const std::vector<PepXMLAnalysisResult>& getAnalysisResults ( ) const

returns information on (search engine) sub scores associated with this PSM

◆ getCharge()

Int getCharge ( ) const

returns the charge of the peptide

Referenced by IDFilter::annotateBestPerPeptideWithData(), IDScoreGetterSetter::getScores_(), IDBoostGraph::LabelVisitor::operator()(), and IDScoreGetterSetter::setScoreAndMoveIfTarget_().

◆ getPeakAnnotations()

std::vector<PeptideHit::PeakAnnotation> getPeakAnnotations ( ) const

returns the fragment annotations

◆ getPeptideEvidences()

const std::vector<PeptideEvidence>& getPeptideEvidences ( ) const

returns information on peptides (potentially) identified by this PSM

◆ getRank()

UInt getRank ( ) const

returns the PSM rank

◆ getScore()

double getScore ( ) const

returns the PSM score

Referenced by IDFilter::annotateBestPerPeptideWithData(), IDScoreGetterSetter::getScores_(), IDBoostGraph::GetPosteriorVisitor::operator()(), and IDScoreGetterSetter::setScoreAndMoveIfTarget_().

◆ getSequence()

const AASequence& getSequence ( ) const

returns the peptide sequence without trailing or following spaces

Referenced by IDFilter::annotateBestPerPeptideWithData(), IDBoostGraph::LabelVisitor::operator()(), IDBoostGraph::PrintAddressVisitor< CharT >::operator()(), IDFilter::PeptideDigestionFilter::operator()(), and IDConflictResolverAlgorithm::resolveBetweenFeatures_().

◆ operator!=()

bool operator!= ( const PeptideHit & rhs ) const

Inequality operator.

◆ operator=() [1/2]

PeptideHit& operator= ( const PeptideHit & source )

Assignment operator.

◆ operator=() [2/2]

PeptideHit& operator= ( PeptideHit && )

noexcept

Move assignment operator.

◆ operator==()

bool operator== ( const PeptideHit & rhs ) const

Equality operator.

◆ setAnalysisResults()

void setAnalysisResults ( std::vector< PepXMLAnalysisResult > aresult )

set information on (search engine) sub scores associated with this PSM

◆ setCharge()

void setCharge ( Int charge )

sets the charge of the peptide

◆ setPeakAnnotations()

void setPeakAnnotations ( std::vector< PeptideHit::PeakAnnotation > frag_annotations )

sets the fragment annotations

◆ setPeptideEvidences() [1/2]

void setPeptideEvidences ( const std::vector< PeptideEvidence > & peptide_evidences )

set information on peptides (potentially) identified by this PSM

◆ setPeptideEvidences() [2/2]

void setPeptideEvidences ( std::vector< PeptideEvidence > && peptide_evidences )

◆ setRank()

void setRank ( UInt newrank )

sets the PSM rank

◆ setScore()

void setScore ( double score )

sets the PSM score

Referenced by IDBoostGraph::SetPosteriorVisitor::operator()(), and IDScoreGetterSetter::setScoreAndMoveIfTarget_().

◆ setSequence() [1/2]

void setSequence ( AASequence && sequence )

sets the peptide sequence

◆ setSequence() [2/2]

void setSequence ( const AASequence & sequence )

sets the peptide sequence

Member Data Documentation

◆ analysis_results_

std::vector<PepXMLAnalysisResult>* analysis_results_

protected

additional scores attached to the original, aggregated score

◆ charge_

Int charge_

protected

the charge of the peptide

◆ fragment_annotations_

std::vector<PeptideHit::PeakAnnotation> fragment_annotations_

protected

annotations of fragments in the corresponding spectrum

◆ peptide_evidences_

std::vector<PeptideEvidence> peptide_evidences_

protected

information on the potential peptides observed through this PSM.

◆ rank_

UInt rank_

protected

the position(rank) where the hit appeared in the hit list

◆ score_

double score_

protected

the score of the peptide hit

◆ sequence_

AASequence sequence_

protected

Classes

Public Member Functions

Accessors

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ PeptideHit() [1/5]

◆ PeptideHit() [2/5]

◆ PeptideHit() [3/5]

◆ PeptideHit() [4/5]

◆ PeptideHit() [5/5]

◆ ~PeptideHit()

Member Function Documentation

◆ addAnalysisResults()

◆ addPeptideEvidence()

◆ extractProteinAccessionsSet()

◆ getAnalysisResults()

◆ getCharge()

◆ getPeakAnnotations()

◆ getPeptideEvidences()

◆ getRank()

◆ getScore()

◆ getSequence()

◆ operator!=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ setAnalysisResults()

◆ setCharge()

◆ setPeakAnnotations()

◆ setPeptideEvidences() [1/2]

◆ setPeptideEvidences() [2/2]

◆ setRank()

◆ setScore()

◆ setSequence() [1/2]

◆ setSequence() [2/2]

Member Data Documentation

◆ analysis_results_

◆ charge_

◆ fragment_annotations_

◆ peptide_evidences_

◆ rank_

◆ score_

◆ sequence_