1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
|
class HINFile
: GenericMolFile
{
%TypeHeaderCode
#include <BALL/FORMAT/HINFile.h>
%End
public:
HINFile();
HINFile(String&, OpenMode openmode = std::ios::in) throw(FileNotFound);
~HINFile() throw();
virtual bool write(const System&) throw(File::CannotWrite);
virtual bool write(const Molecule&) throw(File::CannotWrite);
virtual bool read(System&) throw(ParseError);
virtual Molecule* read() throw(ParseError);
bool hasPeriodicBoundary() const;
SimpleBox3 getPeriodicBoundary() const;
float getTemperature() const;
};
|