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

#include <BALL/FORMAT/KCFFile.h>

Inheritance diagram for BALL::KCFFile:

[legend]

List of all members.

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)
virtual	~KCFFile ()
Reading and Writing of Kernel Datastructures
virtual bool	write (const Molecule &molecule)
virtual bool	write (const System &system)
virtual bool	read (System &system)
virtual Molecule *	read ()
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.

Definition at line 27 of file KCFFile.h.

---

Member Typedef Documentation

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

Definition at line 43 of file KCFFile.h.

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

Definition at line 44 of file KCFFile.h.

---

Constructor & Destructor Documentation

BALL::KCFFile::KCFFile

(

)

Default constructor

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

Detailed constructor

Exceptions:

Exception::FileNotFound

if the file could not be opened

virtual BALL::KCFFile::~KCFFile

(

)

[virtual]

Destructor

---

Member Function Documentation

const KCFFile& BALL::KCFFile::operator=

(

const KCFFile &

file

)

virtual Molecule* BALL::KCFFile::read

(

)

[virtual]

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

Exceptions:

Exception::ParseError

if a syntax error was encountered

Reimplemented from BALL::GenericMolFile.

virtual bool BALL::KCFFile::read

(

System &

system

)

[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.

Exceptions:

Exception::ParseError

if a syntax error was encountered

Reimplemented from BALL::GenericMolFile.

bool BALL::KCFFile::readDELIMITER_

(

)

[protected]

bool BALL::KCFFile::readEDGE_

(

IndexAtomMap &

index_to_atom

)

[protected]

bool BALL::KCFFile::readENTRY_

(

Molecule &

mol

)

[protected]

bool BALL::KCFFile::readNODE_	(	Molecule &	mol,
		IndexAtomMap &	index_to_atom
	)			[protected]

virtual bool BALL::KCFFile::write

(

const System &

system

)

[virtual]

Write a system to the KCF file. Each Molecule in the system is written as distinct molecule in the KCF file.

Exceptions:

File::CannotWrite

if writing to the file failed

Reimplemented from BALL::GenericMolFile.

virtual bool BALL::KCFFile::write

(

const Molecule &

molecule

)

[virtual]

Write a molecule to a KCF file.

Exceptions:

File::CannotWrite

if writing to the file failed

Reimplemented from BALL::GenericMolFile.

---

Member Data Documentation

const char* BALL::KCFFile::CONTINUED_LINE [static]

Definition at line 38 of file KCFFile.h.

const char* BALL::KCFFile::DELIMITER_TAG [static]

Definition at line 37 of file KCFFile.h.

const char* BALL::KCFFile::EDGE_TAG [static]

Definition at line 36 of file KCFFile.h.

const char* BALL::KCFFile::ENTRY_TAG [static]

Definition at line 34 of file KCFFile.h.

const char* BALL::KCFFile::NODE_TAG [static]

Definition at line 35 of file KCFFile.h.