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

Functions

std::string GetAtomSmarts (const QueryAtom *qatom)
 returns the SMARTS for a QueryAtom More...
 
std::string GetBondSmarts (const QueryBond *qbond, int atomToLeftIdx=-1)
 returns the SMARTS for a QueryBond More...
 

Function Documentation

std::string RDKit::SmartsWrite::GetAtomSmarts ( const QueryAtom qatom)

returns the SMARTS for a QueryAtom

std::string RDKit::SmartsWrite::GetBondSmarts ( const QueryBond qbond,
int  atomToLeftIdx = -1 
)

returns the SMARTS for a QueryBond