BALL::CHPI::CHPI::CHGroup Class Reference

A class for storing aliphatic CH groups suitable for building CH- interactions with aromatic rings. More...

#include <CHPI.h>

List of all members.

Public Member Functions
	CHGroup (const CHGroup &CH_groups)
	CHGroup (const Atom *C_atom, const Atom *H_atom)
void	setCAtom (const Atom *C_atom)
void	setHAtom (const Atom *H_atom)
void	setAtoms (const Atom *C_atom, const Atom *H_atom)
const Atom *	getHAtom () const
const Atom *	getCAtom () const
void	dump (std::ostream &s=std::cout) const

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Detailed Description

A class for storing aliphatic CH groups suitable for building CH- interactions with aromatic rings.