BALL::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

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Detailed Description

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

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Member Function Documentation

std::vector<std::vector<std::vector<Atom*> > > BALL::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