BALL  1.4.1
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Protected Member Functions
BALL::KCFFile Class Reference

#include <BALL/FORMAT/KCFFile.h>

Inheritance diagram for BALL::KCFFile:
BALL::GenericMolFile BALL::LineBasedFile BALL::File

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 Moleculeread ()
const KCFFileoperator= (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

Definition at line 43 of file KCFFile.h.

Definition at line 44 of file KCFFile.h.


Constructor & Destructor Documentation

Default constructor

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

Detailed constructor

Exceptions:
Exception::FileNotFoundif the file could not be opened
virtual BALL::KCFFile::~KCFFile ( ) [virtual]

Destructor


Member Function Documentation

const KCFFile& BALL::KCFFile::operator= ( const KCFFile file)
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::ParseErrorif a syntax error was encountered

Reimplemented from BALL::GenericMolFile.

virtual Molecule* BALL::KCFFile::read ( ) [virtual]

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

Exceptions:
Exception::ParseErrorif a syntax error was encountered

Reimplemented from BALL::GenericMolFile.

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 Molecule molecule) [virtual]

Write a molecule to a KCF file.

Exceptions:
File::CannotWriteif writing to the file failed

Reimplemented from BALL::GenericMolFile.

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::CannotWriteif 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.

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