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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
RDKIT_GRAPHMOL_EXPORT void | completeMolQueries (RWMol *mol, unsigned int magicVal=0xDEADBEEF) |
RDKIT_GRAPHMOL_EXPORT Atom * | replaceAtomWithQueryAtom (RWMol *mol, Atom *atom) |
RDKIT_GRAPHMOL_EXPORT void RDKit::QueryOps::completeMolQueries | ( | RWMol * | mol, |
unsigned int | magicVal = 0xDEADBEEF |
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RDKIT_GRAPHMOL_EXPORT Atom* RDKit::QueryOps::replaceAtomWithQueryAtom | ( | RWMol * | mol, |
Atom * | atom | ||
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