RDKit
Open-source cheminformatics and machine learning.
RDKit::FMCS::SubstructureCache Class Reference

#include <SubstructureCache.h>

Classes

struct  HashKey
 
struct  KeyNumericMetrics
 

Public Types

typedef HashKey TKey
 
typedef std::list< FMCS::GraphTIndexEntry
 

Public Member Functions

TIndexEntryfind (const Seed &seed, const std::vector< unsigned > &queryAtomLabels, const std::vector< unsigned > &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

Definition at line 109 of file SubstructureCache.h.

Member Function Documentation

void RDKit::FMCS::SubstructureCache::add ( const Seed seed,
TKey key,
TIndexEntry entry 
)
inline
TIndexEntry* RDKit::FMCS::SubstructureCache::find ( const Seed seed,
const std::vector< unsigned > &  queryAtomLabels,
const std::vector< unsigned > &  queryBondLabels,
TKey key 
)
inline
size_t RDKit::FMCS::SubstructureCache::fullsize ( ) const
inline

Definition at line 156 of file SubstructureCache.h.

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

Definition at line 152 of file SubstructureCache.h.


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