5 #ifndef BALL_FORMAT_XYZFILE_H
6 #define BALL_FORMAT_XYZFILE_H
8 #ifndef BALL_FORMAT_GENERICMOLFILE_H
virtual bool write(const Molecule &mol)
XYZFile(const String &filename, File::OpenMode open_mode=std::ios::in)
const String & getComment() const
virtual bool write(const System &system)
virtual bool read(System &system)
virtual Molecule * read()
virtual bool write(const AtomContainer &ac)
std::ios::openmode OpenMode