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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
std::string | GetAtomSmarts (const QueryAtom *qatom) |
returns the SMARTS for a QueryAtom More... | |
std::string | GetBondSmarts (const QueryBond *qbond) |
returns the SMARTS for a QueryBond More... | |
std::string RDKit::SmartsWrite::GetAtomSmarts | ( | const QueryAtom * | qatom | ) |
returns the SMARTS for a QueryAtom