RDKit::v2::MarvinParser Namespace Reference

Classes
struct	MrvParserParams

Functions
RDKIT_MARVINPARSER_EXPORT bool	MrvFileIsReaction (const std::string &fname)
RDKIT_MARVINPARSER_EXPORT bool	MrvDataStreamIsReaction (std::istream &inStream)
RDKIT_MARVINPARSER_EXPORT bool	MrvBlockIsReaction (const std::string &molmrvText)
RDKIT_MARVINPARSER_EXPORT std::unique_ptr< RWMol >	MolFromMrvDataStream (std::istream &inStream, const MrvParserParams &params=MrvParserParams())
RDKIT_MARVINPARSER_EXPORT std::unique_ptr< RWMol >	MolFromMrvBlock (const std::string &molmrvText, const MrvParserParams &params=MrvParserParams())
RDKIT_MARVINPARSER_EXPORT std::unique_ptr< RWMol >	MolFromMrvFile (const std::string &fName, const MrvParserParams &params=MrvParserParams())
RDKIT_MARVINPARSER_EXPORT std::unique_ptr< ChemicalReaction >	ReactionFromMrvDataStream (std::istream &inStream, const MrvParserParams &params=MrvParserParams())
RDKIT_MARVINPARSER_EXPORT std::unique_ptr< ChemicalReaction >	ReactionFromMrvBlock (const std::string &molmrvText, const MrvParserParams &params=MrvParserParams())
RDKIT_MARVINPARSER_EXPORT std::unique_ptr< ChemicalReaction >	ReactionFromMrvFile (const std::string &fName, const MrvParserParams &params=MrvParserParams())

Function Documentation

MolFromMrvBlock()

RDKIT_MARVINPARSER_EXPORT std::unique_ptr< RWMol > RDKit::v2::MarvinParser::MolFromMrvBlock	(	const std::string &	molmrvText,
		const MrvParserParams &	params = MrvParserParams() )

MolFromMrvDataStream()

RDKIT_MARVINPARSER_EXPORT std::unique_ptr< RWMol > RDKit::v2::MarvinParser::MolFromMrvDataStream	(	std::istream &	inStream,
		const MrvParserParams &	params = MrvParserParams() )

MolFromMrvFile()

RDKIT_MARVINPARSER_EXPORT std::unique_ptr< RWMol > RDKit::v2::MarvinParser::MolFromMrvFile	(	const std::string &	fName,
		const MrvParserParams &	params = MrvParserParams() )

MrvBlockIsReaction()

RDKIT_MARVINPARSER_EXPORT bool RDKit::v2::MarvinParser::MrvBlockIsReaction

(

const std::string &

molmrvText

)

MrvDataStreamIsReaction()

RDKIT_MARVINPARSER_EXPORT bool RDKit::v2::MarvinParser::MrvDataStreamIsReaction

(

std::istream &

inStream

)

MrvFileIsReaction()

RDKIT_MARVINPARSER_EXPORT bool RDKit::v2::MarvinParser::MrvFileIsReaction

(

const std::string &

fname

)

ReactionFromMrvBlock()

RDKIT_MARVINPARSER_EXPORT std::unique_ptr< ChemicalReaction > RDKit::v2::MarvinParser::ReactionFromMrvBlock	(	const std::string &	molmrvText,
		const MrvParserParams &	params = MrvParserParams() )

ReactionFromMrvDataStream()

RDKIT_MARVINPARSER_EXPORT std::unique_ptr< ChemicalReaction > RDKit::v2::MarvinParser::ReactionFromMrvDataStream	(	std::istream &	inStream,
		const MrvParserParams &	params = MrvParserParams() )

ReactionFromMrvFile()

RDKIT_MARVINPARSER_EXPORT std::unique_ptr< ChemicalReaction > RDKit::v2::MarvinParser::ReactionFromMrvFile	(	const std::string &	fName,
		const MrvParserParams &	params = MrvParserParams() )