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RDKit
Open-source cheminformatics and machine learning.
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#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 |
Definition at line 36 of file SubstructureCache.h.
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inline |
Definition at line 40 of file SubstructureCache.h.
Referenced by RDKit::FMCS::SubstructureCache::find().
KeyNumericMetrics RDKit::FMCS::SubstructureCache::HashKey::NumericMetrics |
Definition at line 37 of file SubstructureCache.h.
Referenced by RDKit::FMCS::SubstructureCache::add(), and RDKit::FMCS::SubstructureCache::find().