SmilesParse.h File Reference

#include <string>
#include <exception>
#include <map>

Go to the source code of this file.

Classes
class	RDKit::SmilesParseException
Namespaces
namespace	RDKit
	Includes a bunch of functionality for handling Atom and Bond queries.
Functions
RWMol *	RDKit::SmilesToMol (std::string smi, int debugParse=0, bool sanitize=1, std::map< std::string, std::string > *replacements=0)
	Construct a molecule from a SMILES string.
RWMol *	RDKit::SmartsToMol (std::string sma, int debugParse=0, bool mergeHs=false, std::map< std::string, std::string > *replacements=0)
	Construct a molecule from a SMARTS string.