PeptideMass Class Reference

QC metric calculating theoretical mass of a peptide sequence. More...

#include <OpenMS/QC/PeptideMass.h>

Inheritance diagram for PeptideMass:

Collaboration diagram for PeptideMass:

Public Member Functions
	PeptideMass ()=default
	Constructor. More...
virtual	~PeptideMass ()=default
	Destructor. More...
void	compute (FeatureMap &features)
	Sets the 'mass' metavalue to all PeptideHits by computing the theoretical mass. More...
const String &	getName () const override
	Returns the name of the metric. More...
Status	requires () const override
	Returns the input data requirements of the compute(...) function. More...
Public Member Functions inherited from QCBase
bool	isRunnable (const Status &s) const

Additional Inherited Members
Public Types inherited from QCBase
enum class	Requires : UInt64 {   NOTHING , RAWMZML , POSTFDRFEAT , PREFDRFEAT ,   CONTAMINANTS , TRAFOALIGN , ID , SIZE_OF_REQUIRES }
	Enum to encode a file type as a bit. More...
enum class	ToleranceUnit { AUTO , PPM , DA , SIZE_OF_TOLERANCEUNIT }
using	Status = FlagSet< Requires >
Static Public Member Functions inherited from QCBase
static bool	isLabeledExperiment (const ConsensusMap &cm)
	check if the IsobaricAnalyzer TOPP tool was used to create this ConsensusMap More...
template<typename MAP >
static bool	hasPepID (const MAP &fmap)
	does the container have a PeptideIdentification in its members or as unassignedPepID ? More...
Static Public Attributes inherited from QCBase
static const std::string	names_of_requires []
	strings corresponding to enum Requires More...
static const std::string	names_of_toleranceUnit []
	strings corresponding to enum ToleranceUnit More...

Detailed Description

QC metric calculating theoretical mass of a peptide sequence.

Each PeptideHit in the FeatureMap will be annotated with its theoretical mass as metavalue 'mass'

Constructor & Destructor Documentation

PeptideMass()

PeptideMass ( )

default

Constructor.

~PeptideMass()

virtual ~PeptideMass ( )

virtualdefault

Destructor.

Member Function Documentation

compute()

void compute

(

FeatureMap &

features

)

Sets the 'mass' metavalue to all PeptideHits by computing the theoretical mass.

Parameters

features

FeatureMap with PeptideHits

getName()

const String& getName ( ) const

overridevirtual

Returns the name of the metric.

Implements QCBase.

requires()

Status requires ( ) const

overridevirtual

Returns the input data requirements of the compute(...) function.

Implements QCBase.