CHPI::AromaticRing Class Reference

A class for storing aromatic rings and information associated with them. More...

#include <CHPI.h>

List of all members.

Public Member Functions
	AromaticRing (const AromaticRing &aromatic_ring) throw ()
	AromaticRing (const std::vector< Atom * > &atoms) throw ()
const Vector3 &	getCentre () const throw ()
const Vector3 &	getNormalVector () const throw ()
void	setRing (const std::vector< Atom * > &atoms) throw ()
const std::vector< Atom * > &	getRing () const throw ()
void	dump (std::ostream &s=std::cout) const throw ()

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Detailed Description

A class for storing aromatic rings and information associated with them.

At the moment we only need the ring centres and the atoms.