BALL::KCFFile Class Reference
[Molecular structure file
formats]
KEGG
KCF file class. More...
#include <KCFFile.h>
Inheritance diagram for BALL::KCFFile:
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Public Types |
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Type definitions
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typedef HashMap< const Atom *, Position > |
AtomIndexMap |
| typedef HashMap< Position, Atom * > | IndexAtomMap |
Public Member Functions |
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Constructors and Destructors
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| KCFFile () | |
| KCFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound) | |
| KCFFile (const KCFFile &file) throw (Exception::FileNotFound) | |
| virtual | ~KCFFile () |
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Reading and Writing of Kernel Datastructures
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| virtual bool | write (const Molecule &molecule) throw (File::CannotWrite) |
| Write a molecule to the
file. |
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| virtual bool | write (const System &system) throw (File::CannotWrite) |
| Write a system to the KCF file.
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| virtual bool | read (System &system) throw (Exception::ParseError) |
| Read a system from a KCF File. |
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| virtual Molecule * | read () throw (Exception::ParseError) |
| Read a single molecule from the file
If unscuccesful, a NULL pointer is returned. |
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| const KCFFile & | operator= (const KCFFile &file) |
Static Public Attributes |
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Constants
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| 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 |
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| 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 Function Documentation
| 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.
| 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.
