BALL::PubChemDownloader Class Reference

Downloads PubChem entries. More...

#include <BALL/FORMAT/pubchemDownloader.h>

Public Member Functions
	PubChemDownloader ()
bool	downloadSDFByName (const String &query, const String &filename)
bool	downloadSDFByCID (int cid, const String &filename)

Detailed Description

Downloads PubChem entries.

This class provides a simplistic, blocking interface to the PubChem REST query interface. It downloads the obtained records in SDF format and

Definition at line 20 of file pubchemDownloader.h.

Constructor & Destructor Documentation

BALL::PubChemDownloader::PubChemDownloader

(

)

Default constructor

Member Function Documentation

bool BALL::PubChemDownloader::downloadSDFByCID	(	int	cid,
		const String &	filename
	)

Download an SD file corresponding to the Pubchem record identified by Pubchem CID

Parameters

cid	The CID of the substance that should be received.
filename	The path to the file into which the results should be saved.

Returns

false if an error was encountered during download.

bool BALL::PubChemDownloader::downloadSDFByName	(	const String &	query,
		const String &	filename
	)

Download an SD file corresponding to the Pubchem record identified by name.

Parameters

query	The name of the substance that should be received.
filename	The path to the file into which the results should be saved.

Returns

false if an error was encountered during download.