MolInterchange.h File Reference

Contains the public API for the convertors to/from the commonchem interchange format. More...

#include <RDGeneral/export.h>
#include <string>
#include <iostream>
#include <vector>
#include <boost/shared_ptr.hpp>

Go to the source code of this file.

Classes
struct	RDKit::MolInterchange::JSONParseParameters
struct	RDKit::MolInterchange::JSONWriteParameters

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::MolInterchange

Functions
RDKIT_MOLINTERCHANGE_EXPORT std::vector< boost::shared_ptr< ROMol > >	RDKit::MolInterchange::JSONDataStreamToMols (std::istream *inStream, const JSONParseParameters &params=defaultJSONParseParameters)
RDKIT_MOLINTERCHANGE_EXPORT std::vector< boost::shared_ptr< ROMol > >	RDKit::MolInterchange::JSONDataToMols (const std::string &jsonBlock, const JSONParseParameters &params=defaultJSONParseParameters)
template<typename T >
RDKIT_MOLINTERCHANGE_EXPORT std::string	RDKit::MolInterchange::MolsToJSONData (const std::vector< T > &mols, const JSONWriteParameters &params=defaultJSONWriteParameters)
template<typename T >
std::string	RDKit::MolInterchange::MolToJSONData (const T &mol, const JSONWriteParameters &params=defaultJSONWriteParameters)

Variables
static JSONParseParameters	RDKit::MolInterchange::defaultJSONParseParameters
static JSONWriteParameters	RDKit::MolInterchange::defaultJSONWriteParameters

Detailed Description

Contains the public API for the convertors to/from the commonchem interchange format.

Note that this should be considered beta and that the format and API will very likely change in future releases.

More information about CommonChem is available here: https://github.com/mcs07/CommonChem

Definition in file MolInterchange.h.