BALL::KCFFile Class Reference
[Molecular structure file formats]
#include <BALL/FORMAT/KCFFile.h>
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.
Definition at line 27 of file KCFFile.h.
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
| 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] |
| bool BALL::KCFFile::readEDGE_ | ( | IndexAtomMap & | index_to_atom | ) | [protected] |
| bool BALL::KCFFile::readNODE_ | ( | Molecule & | mol, | |
| IndexAtomMap & | index_to_atom | |||
| ) | [protected] |
| virtual bool BALL::KCFFile::write | ( | const System & | system | ) | throw (File::CannotWrite) [virtual] |
Write a system to the KCF file. Each Molecule in the system is written as distinct molecule in the KCF file.
Reimplemented from BALL::GenericMolFile.
| virtual bool BALL::KCFFile::write | ( | const Molecule & | molecule | ) | throw (File::CannotWrite) [virtual] |
Write a molecule to the file.
Reimplemented from BALL::GenericMolFile.
Member Data Documentation
const char* BALL::KCFFile::CONTINUED_LINE [static] |
const char* BALL::KCFFile::DELIMITER_TAG [static] |
const char* BALL::KCFFile::EDGE_TAG [static] |
const char* BALL::KCFFile::ENTRY_TAG [static] |
const char* BALL::KCFFile::NODE_TAG [static] |
