SmilesWrite.h File Reference

#include <string>

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Namespaces
namespace	RDKit
namespace	RDKit::SmilesWrite
Functions
bool	RDKit::SmilesWrite::inOrganicSubset (int atomicNumber)
	returns true if the atom number is in the SMILES organic subset
std::string	RDKit::SmilesWrite::GetAtomSmiles (const Atom *atom, bool doKekule=false, const Bond *bondIn=0)
	returns the SMILES for an atom
std::string	RDKit::SmilesWrite::GetBondSmiles (const Bond *bond, int atomToLeftIdx=-1, bool doKekule=false)
	returns the SMILES for a bond
std::string	RDKit::MolToSmiles (ROMol &mol, bool doIsomericSmiles=false, bool doKekule=false, int rootedAtAtom=-1)
	returns canonical SMILES for a molecule