core::scoring::packstat::CavityBall Class Reference

#include <CavityBall.hh>

Public Member Functions
	CavityBall (int const id, int const sphere, XYZ const &xyz, PackstatReal const r)
std::string const	hetero_atom_line (int hetresnum=1, int chain=0, core::Real radsub=0.0) const
std::string const	str () const
int	sphere () const
PackstatReal	radius () const
int	id () const
numeric::xyzVector< PackstatReal >	xyz () const
int	operator< (const CavityBall &rhs) const

Public Attributes
int	id_
int	sphere_
int	cluster_
numeric::xyzVector< PackstatReal >	xyz_
PackstatReal	radius_
PackstatReal	area
PackstatReal	vol
PackstatReal	evdw
PackstatReal	exposed_radius
int	anb

Constructor & Destructor Documentation

CavityBall()

core::scoring::packstat::CavityBall::CavityBall	(	int const	id,
		int const	sphere,
		XYZ const &	xyz,
		PackstatReal const	r
	)

Member Function Documentation

hetero_atom_line()

string const core::scoring::packstat::CavityBall::hetero_atom_line	(	int	hetresnum = 1,
		int	chain = 0,
		core::Real	radsub = 0.0
	)		const

References cluster_, exposed_radius, core::chemical::element::F, core::chemical::element::I, id_, protocols::mean_field::max(), protocols::mean_field::min(), radius_, and xyz_.

id()

int core::scoring::packstat::CavityBall::id ( ) const

inline

References id_.

operator<()

int core::scoring::packstat::CavityBall::operator< ( const CavityBall &  rhs ) const

inline

References radius().

radius()

PackstatReal core::scoring::packstat::CavityBall::radius ( ) const

inline

References radius_.

Referenced by core::scoring::packstat::compute_cav_ball_volumes(), operator<(), core::scoring::packstat::overlap(), core::scoring::packstat::prune_1pass(), and core::scoring::packstat::prune_hidden_cavity_balls().

sphere()

int core::scoring::packstat::CavityBall::sphere ( ) const

inline

References sphere_.

str()

string const core::scoring::packstat::CavityBall::str

(

)

const

References id_, radius_, sphere_, and xyz_.

xyz()

numeric::xyzVector<PackstatReal> core::scoring::packstat::CavityBall::xyz ( ) const

inline

References xyz_.

Referenced by core::scoring::packstat::compute_cav_ball_clusters(), core::scoring::packstat::compute_cav_ball_volumes(), core::scoring::packstat::overlap(), core::scoring::packstat::prune_1pass(), and core::scoring::packstat::prune_hidden_cavity_balls().

Member Data Documentation

anb

int core::scoring::packstat::CavityBall::anb

area

PackstatReal core::scoring::packstat::CavityBall::area

Referenced by core::scoring::packstat::compute_cav_ball_clusters().

cluster_

int core::scoring::packstat::CavityBall::cluster_

Referenced by core::scoring::packstat::compute_cav_ball_clusters(), and hetero_atom_line().

evdw

PackstatReal core::scoring::packstat::CavityBall::evdw

exposed_radius

PackstatReal core::scoring::packstat::CavityBall::exposed_radius

Referenced by core::scoring::packstat::compute_cav_ball_clusters(), hetero_atom_line(), and core::scoring::packstat::prune_1pass().

id_

int core::scoring::packstat::CavityBall::id_

Referenced by hetero_atom_line(), id(), and str().

radius_

PackstatReal core::scoring::packstat::CavityBall::radius_

Referenced by core::scoring::packstat::compute_cav_ball_volumes(), hetero_atom_line(), core::scoring::packstat::prune_1pass(), core::scoring::packstat::prune_hidden_cavity_balls(), radius(), and str().

sphere_

int core::scoring::packstat::CavityBall::sphere_

Referenced by sphere(), and str().

vol

PackstatReal core::scoring::packstat::CavityBall::vol

Referenced by core::scoring::packstat::compute_cav_ball_clusters().

xyz_

numeric::xyzVector<PackstatReal> core::scoring::packstat::CavityBall::xyz_

Referenced by hetero_atom_line(), str(), and xyz().

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

• src/core/scoring/packstat/CavityBall.hh
• src/core/scoring/packstat/CavityBall.cc