SmartsWrite.h File Reference

#include <string>

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Namespaces
namespace	RDKit
namespace	RDKit::SmartsWrite
Functions
std::string	RDKit::SmartsWrite::GetAtomSmarts (const QueryAtom *qatom)
	returns the SMARTS for a QueryAtom
std::string	RDKit::SmartsWrite::GetBondSmarts (const QueryBond *qbond)
	returns the SMARTS for a QueryBond
std::string	RDKit::MolToSmarts (ROMol &mol, bool doIsomericSmarts=false)
	returns the SMARTS for a molecule