5 #ifndef BALL_FORMAT_MOPACOUTPUTFILE_H
6 #define BALL_FORMAT_MOPACOUTPUTFILE_H
8 #ifndef BALL_COMMON_GLOBAL_H
12 #ifndef BALL_FORMAT_GENERICMOLFILE_H
16 #ifndef BALL_KERNEL_ATOMCONTAINER_H
20 #ifndef BALL_DATATYPE_STRING_H
std::vector< Atom * > atoms_
virtual bool read(System &system)
MOPACOutputFile(const String &filename, File::OpenMode open_mode=std::ios::in)
virtual Molecule * read()
std::map< String, Size > type_counts_
void addAtom_(const String &line, Molecule *mol)
virtual ~MOPACOutputFile()
std::ios::openmode OpenMode