RDKit::FMCS::SubstructureCache Class Reference

#include <SubstructureCache.h>

Classes
struct	HashKey
struct	KeyNumericMetrics

Public Types
typedef HashKey	TKey
typedef std::list< FMCS::Graph >	TIndexEntry

Public Member Functions
TIndexEntry *	find (const Seed &seed, const std::vector< unsigned int > &queryAtomLabels, const std::vector< unsigned int > &queryBondLabels, TKey &key)
void	add (const Seed &seed, TKey &key, TIndexEntry *entry)
size_t	keyssize () const
size_t	fullsize () const

Detailed Description

Definition at line 23 of file SubstructureCache.h.

Member Typedef Documentation

TIndexEntry

typedef std::list<FMCS::Graph> RDKit::FMCS::SubstructureCache::TIndexEntry

Definition at line 114 of file SubstructureCache.h.

TKey

typedef HashKey RDKit::FMCS::SubstructureCache::TKey

Definition at line 113 of file SubstructureCache.h.

Member Function Documentation

add()

void RDKit::FMCS::SubstructureCache::add ( const Seed & seed, TKey & key, TIndexEntry * entry )

inline

Definition at line 138 of file SubstructureCache.h.

References RDKit::FMCS::SubstructureCache::HashKey::NumericMetrics, and RDKit::FMCS::SubstructureCache::KeyNumericMetrics::Value.

find()

TIndexEntry * RDKit::FMCS::SubstructureCache::find ( const Seed & seed, const std::vector< unsigned int > & queryAtomLabels, const std::vector< unsigned int > & queryBondLabels, TKey & key )

inline

Definition at line 124 of file SubstructureCache.h.

References RDKit::FMCS::SubstructureCache::HashKey::computeKey(), RDKit::FMCS::SubstructureCache::HashKey::NumericMetrics, and RDKit::FMCS::SubstructureCache::KeyNumericMetrics::Value.

fullsize()

size_t RDKit::FMCS::SubstructureCache::fullsize ( ) const

inline

Definition at line 164 of file SubstructureCache.h.

keyssize()

size_t RDKit::FMCS::SubstructureCache::keyssize ( ) const

inline

Definition at line 160 of file SubstructureCache.h.

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The documentation for this class was generated from the following file:

• SubstructureCache.h