NuXLFragmentAdductRegistry Struct Reference

#include <OpenNuXL/include/NuXLSearchIndex.h>

Public Member Functions
int	add (const NuXLFragmentAdductDefinition *f)
void	finalize (const std::map< std::string, std::vector< std::vector< double > > > &block)
void	annotateSpectrum (NuXLSpectrumIndex &si) const

Public Attributes
std::vector< const NuXLFragmentAdductDefinition * >	by_id
std::unordered_map< std::string, int >	name_id
	has_tag only depends on the name
std::vector< int >	id_to_name_id
std::vector< int >	rank
std::vector< const std::vector< std::vector< double > > * >	block_lists_by_name_id

Detailed Description

Dense ids for the fragment adduct definitions used in the search, a rank consistent with NuXLFragmentAdductDefinition::operator< (avoids copies and toString() calls when sorting) and the hoisted lookups into the ambiguous-mass lists.

Member Function Documentation

add()

int add ( const NuXLFragmentAdductDefinition *  f )

inline

References NuXLFragmentAdductRegistry::by_id, NuXLFragmentAdductRegistry::id_to_name_id, NuXLFragmentAdductDefinition::name, and NuXLFragmentAdductRegistry::name_id.

annotateSpectrum()

void annotateSpectrum ( NuXLSpectrumIndex &  si ) const

inline

References MSSpectrum::getStringDataArrays(), NuXLSpectrumIndex::has_tag_for_fa_id, NuXLFragmentAdductRegistry::name_id, and NuXLSpectrumIndex::spec.

finalize()

void finalize ( const std::map< std::string, std::vector< std::vector< double > > > &  block )

inline

References NuXLFragmentAdductRegistry::block_lists_by_name_id, NuXLFragmentAdductRegistry::by_id, NuXLFragmentAdductRegistry::name_id, and NuXLFragmentAdductRegistry::rank.

Member Data Documentation

block_lists_by_name_id

std::vector<const std::vector<std::vector<double> >*> block_lists_by_name_id

Referenced by NuXLFragmentAdductRegistry::finalize().

by_id

std::vector<const NuXLFragmentAdductDefinition*> by_id

Referenced by NuXLFragmentAdductRegistry::add(), and NuXLFragmentAdductRegistry::finalize().

id_to_name_id

std::vector<int> id_to_name_id

Referenced by NuXLFragmentAdductRegistry::add().

name_id

std::unordered_map<std::string, int> name_id

has_tag only depends on the name

Referenced by NuXLFragmentAdductRegistry::add(), NuXLFragmentAdductRegistry::annotateSpectrum(), and NuXLFragmentAdductRegistry::finalize().

rank

std::vector<int> rank

Referenced by NuXLFragmentAdductRegistry::finalize().