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

Functions

RDKIT_GRAPHMOL_EXPORT void KekulizeFragment (RWMol &mol, const boost::dynamic_bitset<> &atomsToUse, boost::dynamic_bitset<> bondsToUse, bool markAtomsBonds=true, unsigned int maxBackTracks=100)
 not recommended for use in other code
 
RDKIT_GRAPHMOL_EXPORT std::vector< inthapticBondEndpoints (const Bond *bond)
 

Function Documentation

◆ hapticBondEndpoints()

RDKIT_GRAPHMOL_EXPORT std::vector< int > RDKit::MolOps::details::hapticBondEndpoints ( const Bond bond)

◆ KekulizeFragment()

RDKIT_GRAPHMOL_EXPORT void RDKit::MolOps::details::KekulizeFragment ( RWMol mol,
const boost::dynamic_bitset<> &  atomsToUse,
boost::dynamic_bitset<>  bondsToUse,
bool  markAtomsBonds = true,
unsigned int  maxBackTracks = 100 
)

not recommended for use in other code