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

#include <SubstructureCache.h>

Public Member Functions

void computeKey (const Seed &seed, const std::vector< unsigned > &queryAtomLabels, const std::vector< unsigned > &queryBondLabels)

Public Attributes

KeyNumericMetrics NumericMetrics

Detailed Description

Definition at line 35 of file SubstructureCache.h.

Member Function Documentation

Member Data Documentation

KeyNumericMetrics RDKit::FMCS::SubstructureCache::HashKey::NumericMetrics

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