RDKit
Open-source cheminformatics and machine learning.
RDKit::MolHash Namespace Reference

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)
 

Function Documentation

◆ MolHash()

RDKIT_MOLHASH_EXPORT std::string RDKit::MolHash::MolHash ( RWMol mol,
HashFunction  func 
)

◆ SplitMolecule()

RDKIT_MOLHASH_EXPORT void RDKit::MolHash::SplitMolecule ( RWMol mol,
std::vector< RWMol * > &  molv 
)

◆ Strip()

RDKIT_MOLHASH_EXPORT void RDKit::MolHash::Strip ( RWMol mol,
unsigned int  striptype 
)