RDKit: RDKit::FMCS::SubstructureCache::HashKey Struct Reference

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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

void RDKit::FMCS::SubstructureCache::HashKey::computeKey | ( | const Seed & | seed,
|  | const std::vector< unsigned > & | queryAtomLabels,
|  | const std::vector< unsigned > & | queryBondLabels
| ) |  |
| inline

Definition at line 39 of file SubstructureCache.h.

References RDKit::FMCS::MolFragment::AtomsIdx, RDKit::FMCS::MolFragment::Bonds, RDKit::FMCS::MolFragment::BondsIdx, RDKit::Bond::getBeginAtomIdx(), RDKit::Bond::getEndAtomIdx(), RDKit::FMCS::Seed::getNumAtoms(), RDKit::FMCS::Seed::getNumBonds(), RDKit::FMCS::Seed::MoleculeFragment, RDKit::FMCS::MolFragment::SeedAtomIdxMap, and RDKit::FMCS::SubstructureCache::KeyNumericMetrics::Value.

Referenced by RDKit::FMCS::SubstructureCache::find().

## Member Data Documentation

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

Definition at line 36 of file SubstructureCache.h.

Referenced by RDKit::FMCS::SubstructureCache::add(), and RDKit::FMCS::SubstructureCache::find().

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

- SubstructureCache.h