RDKit::v2::SmilesParse Namespace Reference

Classes
struct	SmartsParserParams
struct	SmilesParserParams

Functions
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol >	MolFromSmiles (const std::string &smi, const SmilesParserParams &params=SmilesParserParams())
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol >	MolFromSmarts (const std::string &sma, const SmartsParserParams &params=SmartsParserParams())
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom >	AtomFromSmiles (const std::string &smi)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond >	BondFromSmiles (const std::string &smi)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom >	AtomFromSmarts (const std::string &sma)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond >	BondFromSmarts (const std::string &sma)

Function Documentation

AtomFromSmarts()

RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom > RDKit::v2::SmilesParse::AtomFromSmarts

(

const std::string &

sma

)

References AtomFromSmarts().

Referenced by AtomFromSmarts().

AtomFromSmiles()

RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom > RDKit::v2::SmilesParse::AtomFromSmiles

(

const std::string &

smi

)

References AtomFromSmiles().

Referenced by AtomFromSmiles().

BondFromSmarts()

RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond > RDKit::v2::SmilesParse::BondFromSmarts

(

const std::string &

sma

)

References BondFromSmarts().

Referenced by BondFromSmarts().

BondFromSmiles()

RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond > RDKit::v2::SmilesParse::BondFromSmiles

(

const std::string &

smi

)

References BondFromSmiles().

Referenced by BondFromSmiles().

MolFromSmarts()

RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol > RDKit::v2::SmilesParse::MolFromSmarts	(	const std::string &	sma,
		const SmartsParserParams &	params = SmartsParserParams() )

References MolFromSmarts().

Referenced by MolFromSmarts().

MolFromSmiles()

RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol > RDKit::v2::SmilesParse::MolFromSmiles	(	const std::string &	smi,
		const SmilesParserParams &	params = SmilesParserParams() )

References MolFromSmiles().

Referenced by MolFromSmiles().