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RDKit
Open-source cheminformatics and machine learning.
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Go to the source code of this file.
Namespaces | |
RDKit | |
Includes a bunch of functionality for handling Atom and Bond queries. | |
Functions | |
double | RDKit::toPrime (const MatchVectType &v) |
void | RDKit::removeDuplicates (std::vector< MatchVectType > &v, unsigned int nAtoms) |
bool | RDKit::atomCompat (const ATOM_SPTR &a1, const ATOM_SPTR &a2, bool useQueryQueryMatches=false) |
bool | RDKit::chiralAtomCompat (const ATOM_SPTR &a1, const ATOM_SPTR &a2) |
bool | RDKit::bondCompat (const BOND_SPTR &b1, const BOND_SPTR &b2, bool useQueryQueryMatches=false) |