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class MolecularInformation
{
%TypeHeaderCode
#include <BALL/CONCEPT/molecularInformation.h>
%End
public:
enum Type
{
TYPE__UNKNOWN = -1,
TYPE__SYSTEM = 0,
TYPE__PROTEIN = 1,
TYPE__MOLECULE = 2,
TYPE__CHAIN = 3,
TYPE__FRAGMENT = 4,
TYPE__RESIDUE = 5,
TYPE__SECONDARY_STRUCTURE = 6,
TYPE__ATOM = 7,
TYPE__BOND = 8
};
MolecularInformation() throw();
~MolecularInformation() throw();
virtual void clear() throw();
Type getType() const throw();
String getName() const throw();
String getTypeName() const throw();
virtual void visit(Composite&);
};
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