/usr/include/BALL/FORMAT/KCFFile.h is in libball1.4-dev 1.4.3~beta1-4.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// vi: set ts=2:
//
#ifndef BALL_FORMAT_KCFFILE_H
#define BALL_FORMAT_KCFFILE_H
#ifndef BALL_FORMAT_GENERICMOLFILE_H
# include <BALL/FORMAT/genericMolFile.h>
#endif
#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif
namespace BALL
{
class System;
class Atom;
class Molecule;
/** KEGG KCF file class.
This class reads and writes KEGG (Kyoto Encyclopedia of Genes and Genomes) KCF (KEGG Chemical Function) files.\par
\ingroup StructureFormats
*/
class BALL_EXPORT KCFFile
: public GenericMolFile
{
public:
/** @name 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;
//@}
/** @name Type definitions */
//@{
typedef HashMap<const Atom*, Position> AtomIndexMap;
typedef HashMap<Position, Atom*> IndexAtomMap;
//@}
/** @name Constructors and Destructors
*/
//@{
/** Default constructor
*/
KCFFile();
/** Detailed constructor
* @throw Exception::FileNotFound if the file could not be opened
*/
KCFFile(const String& filename, File::OpenMode open_mode = std::ios::in);
/** Destructor
*/
virtual ~KCFFile();
//@}
/** @name Reading and Writing of Kernel Datastructures
*/
//@{
/** Write a molecule to a KCF file.
* @throw File::CannotWrite if writing to the file failed
*/
virtual bool write(const Molecule& molecule);
/** Write a system to the KCF file.
* Each Molecule in the system is written as distinct molecule in the KCF file.
* @throw File::CannotWrite if writing to the file failed
*/
virtual bool write(const System& system);
/** 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.
* @throw Exception::ParseError if a syntax error was encountered
*/
virtual bool read(System& system);
/** Read a single molecule from the file
* If unscuccesful, a NULL pointer is returned.
* @throw Exception::ParseError if a syntax error was encountered
*/
virtual Molecule* read();
///
const KCFFile& operator = (const KCFFile& file);
//@}
protected:
bool readENTRY_(Molecule& mol);
bool readNODE_(Molecule& mol, IndexAtomMap& index_to_atom);
bool readEDGE_(IndexAtomMap& index_to_atom);
bool readDELIMITER_();
};
} // namespace BALL
#endif // BALL_FORMAT_KCFFILE_H
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