UCK Class Reference
[Miscellaneous]

Unique Chemical Key. More...

#include <UCK.h>

List of all members.

Public Types
Type definitions
typedef std::vector< std::pair< Size, Size > >	PairVector
typedef std::vector< std::vector< Size > >	SizeVector
Public Member Functions
	UCK (const Molecule &mol, Size d=3)
	UCK (UCK &uck)
void	printUCK (std::ostream &outstr)
Size	getDepth ()
const String &	getFormula () const
const String &	getUCK () const
const String &	getId () const
float	getWeight ()

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Detailed Description

Unique Chemical Key.

Implements the UCK algorithm for computing a unique key for a given chemical structure.