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)

Private Member Functions
bool	downloadSDF_ (const String &query, const String &type, const String &filename)

Private Attributes
const String	pubchem_rest_url_
	Holds the base URL for the pubchem rest interface. More...

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::downloadSDF_ ( const String &  query, const String &  type, const String &  filename  )

private

Helper that does the actual download work.

Parameters

query	The query defining the record
type	The type of the query
filename	The path to the resulting SD File

Returns

false if an error was encountered during download

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.

Member Data Documentation

const String BALL::PubChemDownloader::pubchem_rest_url_

private

Holds the base URL for the pubchem rest interface.

Definition at line 52 of file pubchemDownloader.h.