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

Functions

RDKIT_GRAPHMOL_EXPORT void completeMolQueries (RWMol *mol, unsigned int magicVal=0xDEADBEEF)
 
RDKIT_GRAPHMOL_EXPORT AtomreplaceAtomWithQueryAtom (RWMol *mol, Atom *atom)
 

Function Documentation

◆ completeMolQueries()

RDKIT_GRAPHMOL_EXPORT void RDKit::QueryOps::completeMolQueries ( RWMol mol,
unsigned int  magicVal = 0xDEADBEEF 
)

◆ replaceAtomWithQueryAtom()

RDKIT_GRAPHMOL_EXPORT Atom* RDKit::QueryOps::replaceAtomWithQueryAtom ( RWMol mol,
Atom atom 
)