#include <VDWTrie.hh>

Public Member Functions
	VDWAtom ()

	VDWAtom (core::conformation::Residue const &res, Size index)

	~VDWAtom ()

Vector const &	xyz () const

void	xyz (Vector const &setting)

int	atom_type () const

void	atom_type (int setting)

bool	is_hydrogen () const
	method required for the trie More...

void	is_hydrogen (bool setting)
	setter More...

bool	is_wat () const
	hydrate/SPaDES protocol More...

void	is_wat (bool setting)
	hydrate/SPaDES protocol More...

void	print () const
	send a description of the atom to standard out More...

void	print (std::ostream &os) const
	send a description of the atom to an output stream More...

bool	operator< (VDWAtom const &other) const
	comparison operator for sorting More...

bool	operator== (VDWAtom const &other) const
	equality operator for shared-prefix detection More...

Private Attributes
Vector	xyz_

int	is_hydrogen_

int	atom_type_

bool	is_wat_

Friends
std::ostream &	operator<< (std::ostream &os, VDWAtom const &at)

Constructor & Destructor Documentation

core::scoring::vdwaals::VDWAtom::VDWAtom ( )

core::scoring::vdwaals::VDWAtom::VDWAtom	(	core::conformation::Residue const &	res,
		Size	index
	)

core::scoring::vdwaals::VDWAtom::~VDWAtom ( )

inline

Member Function Documentation

int core::scoring::vdwaals::VDWAtom::atom_type ( ) const

inline

References atom_type_.

Referenced by core::scoring::vdwaals::VDW_Energy::atom_pair_energy().

void core::scoring::vdwaals::VDWAtom::atom_type ( int setting )

References atom_type_.

bool core::scoring::vdwaals::VDWAtom::is_hydrogen ( ) const

inline

method required for the trie

References is_hydrogen_.

void core::scoring::vdwaals::VDWAtom::is_hydrogen ( bool setting )

setter

References is_hydrogen_.

bool core::scoring::vdwaals::VDWAtom::is_wat ( ) const

inline

hydrate/SPaDES protocol

References is_wat_.

void core::scoring::vdwaals::VDWAtom::is_wat ( bool setting )

inline

hydrate/SPaDES protocol

References is_wat_.

bool core::scoring::vdwaals::VDWAtom::operator< ( VDWAtom const & other ) const

inline

comparison operator for sorting

References atom_type_, is_hydrogen_, and xyz_.

bool core::scoring::vdwaals::VDWAtom::operator== ( VDWAtom const & other ) const

inline

equality operator for shared-prefix detection

References atom_type_, is_hydrogen_, and xyz_.

void core::scoring::vdwaals::VDWAtom::print ( ) const

send a description of the atom to standard out

void core::scoring::vdwaals::VDWAtom::print ( std::ostream & os ) const

send a description of the atom to an output stream

References atom_type_, and xyz().

Vector const& core::scoring::vdwaals::VDWAtom::xyz ( ) const

inline

References xyz_.

Referenced by core::scoring::vdwaals::VDW_Energy::atom_pair_energy(), and print().

void core::scoring::vdwaals::VDWAtom::xyz ( Vector const & setting )

References xyz_.

Friends And Related Function Documentation

std::ostream& operator<<	(	std::ostream &	os,
		VDWAtom const &	at
	)

friend

Member Data Documentation

int core::scoring::vdwaals::VDWAtom::atom_type_

private

Referenced by atom_type(), operator<(), operator==(), and print().

int core::scoring::vdwaals::VDWAtom::is_hydrogen_

private

Referenced by is_hydrogen(), operator<(), and operator==().

bool core::scoring::vdwaals::VDWAtom::is_wat_

private

Referenced by is_wat().

Vector core::scoring::vdwaals::VDWAtom::xyz_

private

Referenced by operator<(), operator==(), and xyz().

The documentation for this class was generated from the following files:

src/core/scoring/vdwaals/VDWTrie.hh
src/core/scoring/vdwaals/VDWTrie.cc

Public Member Functions

Private Attributes

Friends

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation