SimpleSearchEngineAlgorithm::AnnotatedHit_ Struct Reference

Compact internal record for one scored peptide candidate against one spectrum. More...

#include <OpenMS/ANALYSIS/ID/SimpleSearchEngineAlgorithm.h>

Collaboration diagram for SimpleSearchEngineAlgorithm::AnnotatedHit_:

Static Public Member Functions
static bool	hasBetterScore (const AnnotatedHit_ &a, const AnnotatedHit_ &b)
	Strict-weak ordering: higher score first, then lower mod index, then sequence.

Public Attributes
std::string_view	sequence
	unmodified peptide sequence (view into the digested protein)
SignedSize	peptide_mod_index
	enumeration index of the modification variant (for re-materialisation)
double	score = 0
	main score (higher is better)
float	prefix_fraction = 0
	fraction of annotated prefix ions (a/b/c)
float	suffix_fraction = 0
	fraction of annotated suffix ions (x/y/z)
float	mean_error = 0.0f
	mean absolute fragment mass error
int	isotope_error = 0
	matched precursor isotope offset (per precursor:isotopes)
uint16_t	matched_prefix_ions = 0
	number of matched prefix ions (a/b/c)
uint16_t	matched_suffix_ions = 0
	number of matched suffix ions (x/y/z)

Detailed Description

Compact internal record for one scored peptide candidate against one spectrum.

Used instead of PeptideHit while scoring so that all candidates per spectrum fit in memory; only the top-N (report:top_hits) entries per spectrum are later promoted into PeptideHit objects by postProcessHits_(). Field order is chosen to minimise struct padding (doubles first, then floats, then ints).

Member Function Documentation

hasBetterScore()

static bool hasBetterScore ( const AnnotatedHit_ &  a, const AnnotatedHit_ &  b  )

inlinestatic

Strict-weak ordering: higher score first, then lower mod index, then sequence.

References SimpleSearchEngineAlgorithm::AnnotatedHit_::peptide_mod_index, SimpleSearchEngineAlgorithm::AnnotatedHit_::score, and SimpleSearchEngineAlgorithm::AnnotatedHit_::sequence.

Member Data Documentation

isotope_error

int isotope_error = 0

matched precursor isotope offset (per precursor:isotopes)

matched_prefix_ions

uint16_t matched_prefix_ions = 0

number of matched prefix ions (a/b/c)

matched_suffix_ions

uint16_t matched_suffix_ions = 0

number of matched suffix ions (x/y/z)

mean_error

float mean_error = 0.0f

mean absolute fragment mass error

peptide_mod_index

SignedSize peptide_mod_index

enumeration index of the modification variant (for re-materialisation)

Referenced by SimpleSearchEngineAlgorithm::AnnotatedHit_::hasBetterScore().

prefix_fraction

float prefix_fraction = 0

fraction of annotated prefix ions (a/b/c)

score

double score = 0

main score (higher is better)

Referenced by SimpleSearchEngineAlgorithm::AnnotatedHit_::hasBetterScore().

sequence

std::string_view sequence

unmodified peptide sequence (view into the digested protein)

Referenced by SimpleSearchEngineAlgorithm::AnnotatedHit_::hasBetterScore().

suffix_fraction

float suffix_fraction = 0

fraction of annotated suffix ions (x/y/z)