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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_KERNEL_FRAGMENT_H
#define BALL_KERNEL_FRAGMENT_H
#ifndef BALL_KERNEL_ATOMCONTAINER_H
# include <BALL/KERNEL/atomContainer.h>
#endif
namespace BALL
{
/** Fragment class.
Fragments are used to represent parts of molecules (for example functional
groups, monomers in larger polymers). \par
\ingroup KernelContainers
*/
class BALL_EXPORT Fragment
: public AtomContainer
{
public:
BALL_CREATE_DEEP(Fragment)
/** @name Enums
*/
//@{
///
enum Property
{
///
NUMBER_OF_PROPERTIES = AtomContainer::NUMBER_OF_PROPERTIES
};
//@}
/** @name Constructors and Destructors
*/
//@{
/** Default constructor
*/
Fragment();
/** Copy constructor
*/
Fragment(const Fragment& fragment, bool deep = true);
/** Constructor
*/
Fragment(const String& name);
/** Destructor
*/
virtual ~Fragment();
//@}
/** @name Persistence
*/
//@{
/** Writes a Fragment object to a persistent stream.
* @param pm the persistence manager
*/
void persistentWrite(PersistenceManager& pm, const char* name = 0) const;
/** Reads a Fragment object from a persistent stream.
* @param pm the persistence manager
*/
void persistentRead(PersistenceManager& pm);
//@}
/** @name Assignment
*/
//@{
/** Assignment operator.
@param fragment the Fragment to be copied (cloned)
@return Fragment& - this instance
*/
Fragment& operator = (const Fragment& fragment);
//@}
/** Equality operator.
Two fragments are equal if they have the same handle.
@see Object::operator ==.
*/
bool operator == (const Fragment& fragment) const;
/** Inequality operator
@see operator ==
*/
bool operator != (const Fragment& fragment) const;
/** @name Type predicates */
//@{
/// @copydoc Composite::isFragment
virtual bool isFragment() const { return true; }
//@}
/** @name Debugging and Diagnostics
*/
//@{
/** Internal state dump.
Dump the current internal state to the output ostream
<b> s </b> with dumping depth <b> depth </b>.
@param s - output stream where to output the internal state
@param depth - the dumping depth
*/
virtual void dump(std::ostream& s = std::cout, Size depth = 0) const;
//@}
};
// required for visual studio
#ifdef BALL_COMPILER_MSVC
template class BALL_EXPORT UnaryProcessor<Fragment>;
#endif
} // namespace BALL
#endif // BALL_KERNEL_FRAGMENT_H
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