/usr/include/BALL/FORMAT/antechamberFile.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_ANTECHAMBERFILE_H
#define BALL_FORMAT_ANTECHAMBERFILE_H
#ifndef BALL_FORMAT_GENERICMOLFILE_H
# include <BALL/FORMAT/genericMolFile.h>
#endif
namespace BALL
{
class Atom;
class AtomContainer;
class System;
/** Antechamber file format (ac-file) class.
This class is used to read and write antechamber input/output files.
\par
\ingroup StructureFormats
*/
class BALL_EXPORT AntechamberFile
: public GenericMolFile
{
public:
/** @name Constructors and Destructors
*/
//@{
/** Default constructor
*/
AntechamberFile();
/** Detailed constructor
* @throw Exception::FileNotFound if the file could not be opened
*/
AntechamberFile(const String& filename, File::OpenMode open_mode = std::ios::in);
/// Destructor
virtual ~AntechamberFile();
//@}
/** @name Reading and Writing of Kernel Datastructures
*/
//@{
/** Write an AtomContainer to the ac file
* @throw File::CannotWrite if writing to the file failed
*/
virtual bool write(const AtomContainer& ac);
/** Write a system to the ac file
* @throw File::CannotWrite if writing to the file failed
*/
virtual bool write(const System& system);
/** Read a system from the ac file
* @throw Exception::ParseError if a syntax error was encountered
*/
virtual bool read(System& system);
/** Read a Molecule from the ac file
* @throw Exception::ParseError if a syntax error was encountered
*/
virtual Molecule* read();
/** Write a Molecule to the ac file
* @throw File::CannotWrite if writing to the file failed
*/
virtual bool write(const Molecule& molecule);
//@}
protected:
void ac_split_(const String& line, std::vector<String>& split);
};
}
#endif
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