OPXLDataStructs::AASeqWithMass Struct Reference

The AASeqWithMass struct represents a normal peptide with its precomputed mass. More...

#include <OpenMS/ANALYSIS/XLMS/OPXLDataStructs.h>

Public Attributes
double	peptide_mass
AASequence	peptide_seq
PeptidePosition	position

Detailed Description

The AASeqWithMass struct represents a normal peptide with its precomputed mass.

This struct stores information about a peptide as an AASequence and a PeptidePosition. It is used to enumerate pairs of peptides in OpenPepXL. Since the mass of every peptide is used many times, it is precomputed once and also stored in this struct. A vector of these structs is used to represent the digested protein database in OpenPepXL. An instance of this struct is created only once for each peptide in the digested database, so it does not contribute to memory usage as much as XLPrecursor does.

Member Data Documentation

peptide_mass

double peptide_mass

Referenced by OPXLDataStructs::AASeqWithMassComparator::operator()().

peptide_seq

AASequence peptide_seq

position

PeptidePosition position