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genericMolFile.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_FORMAT_GENERICMOLFILE_H
#define BALL_FORMAT_GENERICMOLFILE_H
#ifndef BALL_FORMAT_LINEBASEDFILE_H
# include <BALL/FORMAT/lineBasedFile.h>
#endif
namespace BALL
{
class Atom;
class System;
class Molecule;
class BALL_EXPORT GenericMolFile
: public LineBasedFile
{
public:
GenericMolFile();
GenericMolFile(const String& filename, File::OpenMode open_mode = std::ios::in);
virtual ~GenericMolFile();
virtual void close();
const GenericMolFile& operator = (const GenericMolFile& rhs);
void defineInputAsTemporary(bool b = true);
void enableOutputCompression(String zipped_filename);
bool isCompressedFile();
virtual bool write(const System& system);
virtual bool write(const Molecule& molecule);
virtual bool read(System& system);
virtual Molecule* read();
virtual GenericMolFile& operator >> (System& system);
virtual GenericMolFile& operator << (const System& system);
virtual GenericMolFile& operator >> (Molecule& molecule);
virtual GenericMolFile& operator << (const Molecule& molecule);
protected:
virtual void initRead_();
virtual void initWrite_();
bool input_is_temporary_;
bool compress_output_;
bool gmf_is_closed_;
String zipped_filename_;
};
} // namespace BALL
#endif // BALL_FORMAT_GENERICMOLFILE_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::Atom
Definition atom.h:90
BALL::File::OpenMode
std::ios::openmode OpenMode
Definition file.h:165
BALL::GenericMolFile::write
virtual bool write(const System &system)
BALL::GenericMolFile::gmf_is_closed_
bool gmf_is_closed_
Definition genericMolFile.h:196
BALL::GenericMolFile::isCompressedFile
bool isCompressedFile()
BALL::GenericMolFile::compress_output_
bool compress_output_
Definition genericMolFile.h:195
BALL::GenericMolFile::GenericMolFile
GenericMolFile()
BALL::GenericMolFile::defineInputAsTemporary
void defineInputAsTemporary(bool b=true)
BALL::GenericMolFile::enableOutputCompression
void enableOutputCompression(String zipped_filename)
BALL::GenericMolFile::write
virtual bool write(const Molecule &molecule)
BALL::GenericMolFile::close
virtual void close()
BALL::GenericMolFile::initRead_
virtual void initRead_()
BALL::GenericMolFile::read
virtual bool read(System &system)
BALL::GenericMolFile::zipped_filename_
String zipped_filename_
Definition genericMolFile.h:197
BALL::GenericMolFile::GenericMolFile
GenericMolFile(const String &filename, File::OpenMode open_mode=std::ios::in)
BALL::GenericMolFile::~GenericMolFile
virtual ~GenericMolFile()
BALL::GenericMolFile::read
virtual Molecule * read()
BALL::GenericMolFile::initWrite_
virtual void initWrite_()
BALL::GenericMolFile::input_is_temporary_
bool input_is_temporary_
Definition genericMolFile.h:194
BALL::LineBasedFile::LineBasedFile
LineBasedFile()
Default constructor.
BALL::Molecule
Definition molecule.h:31
BALL::String
Definition string.h:57
BALL::System
Definition KERNEL/system.h:40
lineBasedFile.h
BALL
Definition constants.h:13