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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
RDKIT_MOLHASH_EXPORT std::string | MolHash (RWMol *mol, HashFunction func) |
RDKIT_MOLHASH_EXPORT void | Strip (RWMol *mol, unsigned int striptype) |
RDKIT_MOLHASH_EXPORT void | SplitMolecule (RWMol *mol, std::vector< RWMol * > &molv) |
RDKIT_MOLHASH_EXPORT std::string RDKit::MolHash::MolHash | ( | RWMol * | mol, |
HashFunction | func | ||
) |
RDKIT_MOLHASH_EXPORT void RDKit::MolHash::SplitMolecule | ( | RWMol * | mol, |
std::vector< RWMol * > & | molv | ||
) |
RDKIT_MOLHASH_EXPORT void RDKit::MolHash::Strip | ( | RWMol * | mol, |
unsigned int | striptype | ||
) |