Public Member Functions
	CHGroup ()

	~CHGroup ()

	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

Detailed Description

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

Definition at line 81 of file CHPISlick.h.

Constructor & Destructor Documentation

BALL::CHPISlick::CHGroup::CHGroup ( )

BALL::CHPISlick::CHGroup::~CHGroup ( )

BALL::CHPISlick::CHGroup::CHGroup ( const CHGroup & CH_groups )

BALL::CHPISlick::CHGroup::CHGroup	(	const Atom *	C_atom,
		const Atom *	H_atom
	)

void BALL::CHPISlick::CHGroup::dump ( std::ostream & s = std::cout ) const

const Atom* BALL::CHPISlick::CHGroup::getCAtom ( ) const

inline

Definition at line 121 of file CHPISlick.h.

const Atom* BALL::CHPISlick::CHGroup::getHAtom ( ) const

inline

Definition at line 114 of file CHPISlick.h.

void BALL::CHPISlick::CHGroup::setAtoms	(	const Atom *	C_atom,
		const Atom *	H_atom
	)

void BALL::CHPISlick::CHGroup::setCAtom ( const Atom * C_atom )

void BALL::CHPISlick::CHGroup::setHAtom ( const Atom * H_atom )