OpenMS  2.8.0
Public Member Functions | List of all members
PeptideMass Class Reference

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

#include <OpenMS/QC/PeptideMass.h>

Inheritance diagram for PeptideMass:
[legend]
Collaboration diagram for PeptideMass:
[legend]

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 StringgetName () 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
featuresFeatureMap 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.