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RDKit
Open-source cheminformatics and machine learning.
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#include <Seed.h>
Public Attributes | |
std::vector< const Atom * > | Atoms |
std::vector< const Bond * > | Bonds |
std::vector< unsigned > | AtomsIdx |
std::vector< unsigned > | BondsIdx |
std::map< unsigned, unsigned > | SeedAtomIdxMap |
std::vector<unsigned> RDKit::FMCS::MolFragment::AtomsIdx |
Definition at line 26 of file Seed.h.
Referenced by RDKit::FMCS::SubstructureCache::HashKey::computeKey(), RDKit::FMCS::Seed::getNumAtoms(), and RDKit::FMCS::TargetMatch::init().
std::vector<const Bond*> RDKit::FMCS::MolFragment::Bonds |
Definition at line 25 of file Seed.h.
Referenced by RDKit::FMCS::SubstructureCache::HashKey::computeKey(), and RDKit::FMCS::TargetMatch::init().
std::vector<unsigned> RDKit::FMCS::MolFragment::BondsIdx |
Definition at line 27 of file Seed.h.
Referenced by RDKit::FMCS::SubstructureCache::HashKey::computeKey(), and RDKit::FMCS::Seed::getNumBonds().
std::map<unsigned,unsigned> RDKit::FMCS::MolFragment::SeedAtomIdxMap |
Definition at line 28 of file Seed.h.
Referenced by RDKit::FMCS::SubstructureCache::HashKey::computeKey().