CDXMLParser.h File Reference

#include <RDGeneral/export.h>
#include <RDGeneral/types.h>
#include <string>
#include <iostream>
#include <vector>

Go to the source code of this file.

Classes
struct	RDKit::v2::CDXMLParser::CDXMLParserParams

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

Functions
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< RWMol > >	RDKit::v2::CDXMLParser::MolsFromCDXMLDataStream (std::istream &inStream, const CDXMLParserParams &params=CDXMLParserParams())
	construct molecules from a CDXML file Note that the CDXML format is large and complex, the RDKit doesn't support full functionality, just the base ones required for molecule and reaction parsing.
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< RWMol > >	RDKit::v2::CDXMLParser::MolsFromCDXMLFile (const std::string &filename, const CDXMLParserParams &params=CDXMLParserParams())
	construct molecules from a CDXML file Note that the CDXML format is large and complex, the RDKit doesn't support full functionality, just the base ones required for molecule and reaction parsing.
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< RWMol > >	RDKit::v2::CDXMLParser::MolsFromCDXML (const std::string &cdxml, const CDXMLParserParams &params=CDXMLParserParams())
	construct molecules from a CDXML file Note that the CDXML format is large and complex, the RDKit doesn't support full functionality, just the base ones required for molecule and reaction parsing.
std::vector< std::unique_ptr< RWMol > >	RDKit::v1::CDXMLDataStreamToMols (std::istream &inStream, bool sanitize=true, bool removeHs=true)
	construct molecules from a CDXML file Note that the CDXML format is large and complex, the RDKit doesn't support full functionality, just the base ones required for molecule and reaction parsing.
std::vector< std::unique_ptr< RWMol > >	RDKit::v1::CDXMLFileToMols (const std::string &filename, bool sanitize=true, bool removeHs=true)
	construct molecules from a CDXML file Note that the CDXML format is large and complex, the RDKit doesn't support full functionality, just the base ones required for molecule and reaction parsing.
std::vector< std::unique_ptr< RWMol > >	RDKit::v1::CDXMLToMols (const std::string &cdxml, bool sanitize=true, bool removeHs=true)
	construct molecules from a CDXML file Note that the CDXML format is large and complex, the RDKit doesn't support full functionality, just the base ones required for molecule and reaction parsing.