BALL::KCFFile Class Reference
[Molecular structure file formats]

#include <BALL/FORMAT/KCFFile.h>

Inheritance diagram for BALL::KCFFile:


Public Types
Type definitions

typedef HashMap< const Atom *, Position >	AtomIndexMap
typedef HashMap< Position, Atom * >	IndexAtomMap
Public Member Functions
Constructors and Destructors
	KCFFile ()
	KCFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
	KCFFile (const KCFFile &file) throw (Exception::FileNotFound)
virtual	~KCFFile ()
Reading and Writing of Kernel Datastructures
virtual bool	write (const Molecule &molecule) throw (File::CannotWrite)
	Write a molecule to the file.
virtual bool	write (const System &system) throw (File::CannotWrite)
virtual bool	read (System &system) throw (Exception::ParseError)
virtual Molecule *	read () throw (Exception::ParseError)
const KCFFile &	operator= (const KCFFile &file)
Static Public Attributes
Constants

static const char *	ENTRY_TAG
static const char *	NODE_TAG
static const char *	EDGE_TAG
static const char *	DELIMITER_TAG
static const char *	CONTINUED_LINE
Protected Member Functions
bool	readENTRY_ (Molecule &mol)
bool	readNODE_ (Molecule &mol, IndexAtomMap &index_to_atom)
bool	readEDGE_ (IndexAtomMap &index_to_atom)
bool	readDELIMITER_ ()

Detailed Description

KEGG KCF file class. This class reads and writes KEGG (Kyoto Encyclopedia of Genes and Genomes) KCF (KEGG Chemical Function) files.

Member Typedef Documentation

typedef HashMap<const Atom*, Position> BALL::KCFFile::AtomIndexMap

typedef HashMap<Position, Atom*> BALL::KCFFile::IndexAtomMap

Constructor & Destructor Documentation

BALL::KCFFile::KCFFile ( )

BALL::KCFFile::KCFFile	(	const String &	filename,
		File::OpenMode	open_mode = `std::ios::in`
	)			throw (Exception::FileNotFound)

BALL::KCFFile::KCFFile ( const KCFFile & file ) throw (Exception::FileNotFound)

virtual BALL::KCFFile::~KCFFile ( ) [virtual]

Member Function Documentation

const KCFFile& BALL::KCFFile::operator= ( const KCFFile & file )

virtual Molecule* BALL::KCFFile::read ( ) throw (Exception::ParseError) [virtual]

Read a single molecule from the file If unscuccesful, a NULL pointer is returned.

Reimplemented from BALL::GenericMolFile.

virtual bool BALL::KCFFile::read ( System & system ) throw (Exception::ParseError) [virtual]

Read a system from a KCF File. Each molecule in the file is stored as an individual instance of Molecule within the system. Previous contents of the system are erased.

Reimplemented from BALL::GenericMolFile.

bool BALL::KCFFile::readDELIMITER_ ( ) [protected]