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.

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< RWMol > >	RDKit::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. More...
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< RWMol > >	RDKit::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. More...
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< RWMol > >	RDKit::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. More...