SmilesParse.h File Reference

#include <RDGeneral/export.h>
#include <GraphMol/SanitException.h>
#include <string>
#include <exception>
#include <map>
#include <memory>

Go to the source code of this file.

Classes
class	RDKit::SmilesParse::SmilesParseException
struct	RDKit::v2::SmilesParse::SmilesParserParams
struct	RDKit::v2::SmilesParse::SmartsParserParams
struct	RDKit::v1::SmilesParserParams
struct	RDKit::v1::SmartsParserParams
class	RDKit::v2::SmilesParse::SmilesParseException
class	RDKit::v1::SmilesParseException

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::SmilesParse
namespace	RDKit::v2
namespace	RDKit::v2::SmilesParse
namespace	RDKit::v1

Functions
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol >	RDKit::v2::SmilesParse::MolFromSmiles (const std::string &smi, const SmilesParserParams &params=SmilesParserParams())
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol >	RDKit::v2::SmilesParse::MolFromSmarts (const std::string &sma, const SmartsParserParams &params=SmartsParserParams())
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom >	RDKit::v2::SmilesParse::AtomFromSmiles (const std::string &smi)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond >	RDKit::v2::SmilesParse::BondFromSmiles (const std::string &smi)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom >	RDKit::v2::SmilesParse::AtomFromSmarts (const std::string &sma)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond >	RDKit::v2::SmilesParse::BondFromSmarts (const std::string &sma)
RDKit::RWMol *	RDKit::v1::SmilesToMol (const std::string &smi, const SmilesParserParams &ps)
Atom *	RDKit::v1::SmilesToAtom (const std::string &smi)
Bond *	RDKit::v1::SmilesToBond (const std::string &smi)
RWMol *	RDKit::v1::SmilesToMol (const std::string &smi, int debugParse=0, bool sanitize=true, std::map< std::string, std::string > *replacements=nullptr)
	Construct a molecule from a SMILES string.
RWMol *	RDKit::v1::SmartsToMol (const std::string &sma, const SmartsParserParams &ps)
RWMol *	RDKit::v1::SmartsToMol (const std::string &sma, int debugParse=0, bool mergeHs=false, std::map< std::string, std::string > *replacements=nullptr)
	Construct a molecule from a SMARTS string.
Atom *	RDKit::v1::SmartsToAtom (const std::string &sma)
Bond *	RDKit::v1::SmartsToBond (const std::string &sma)
std::unique_ptr< RDKit::RWMol >	RDKit::operator""_smiles (const char *text, size_t len)
std::unique_ptr< RDKit::RWMol >	RDKit::operator""_smarts (const char *text, size_t len)