RingClusterer Class Reference

class, providing a method for agglomerative clustering of single rings to ringsystems More...

#include <ringClusterer.h>

List of all members.

Public Member Functions
	RingClusterer ()
	Default-Constructor.
virtual	~RingClusterer ()
	Destructor.
std::vector< std::vector< std::vector< Atom * > > >	clusterRings (std::vector< std::vector< Atom * > > &rings)
	performs an agglomerative clustering of single rings to ringsystems

---

Detailed Description

class, providing a method for agglomerative clustering of single rings to ringsystems

---

Member Function Documentation

std::vector<std::vector<std::vector<Atom*> > > RingClusterer::clusterRings (  std::vector< std::vector< Atom * > > &  rings  )

performs an agglomerative clustering of single rings to ringsystems Parameters: rings  the smallest set of smallest rings of the input molecule Returns: all ringsystems of the input molecule