protocols::pockets::CCluster Class Reference

@ Cluster of exemplar points More...

#include <PocketGrid.hh>

Classes
struct	Cxyz

Public Member Functions
	CCluster (core::Size x, core::Size y, core::Size z, std::string atype, core::Real step_, core::Real absX=0., core::Real absY=0., core::Real absZ=0.)
	CCluster (const CCluster &old)
	~CCluster ()
int	size () const
bool	testNeighbor (CCluster &c2)
bool	isClose (CCluster const &c2) const
bool	isTarget (core::Size numTargets=2) const
bool	isSolventExposed () const
void	add (core::Size x, core::Size y, core::Size z, std::string atype, core::Real absX=0., core::Real absY=0., core::Real absZ=0.)

Public Attributes
std::list< Cxyz >	points_

Private Attributes
int	count_
bool	target_
bool	subtarget_
bool	solventExposed_
core::Size	maxX
core::Size	minX
core::Size	maxY
core::Size	minY
core::Size	maxZ
core::Size	minZ
core::Real	step

Friends
class	PocketGrid
class	TargetPocketGrid
class	EggshellGrid
class	ComparisonGrid
class	CClusterSet

Detailed Description

@ Cluster of exemplar points

Constructor & Destructor Documentation

protocols::pockets::CCluster::CCluster	(	core::Size	x,
		core::Size	y,
		core::Size	z,
		std::string	atype,
		core::Real	step_,
		core::Real	absX = 0.,
		core::Real	absY = 0.,
		core::Real	absZ = 0.
	)

References protocols::pockets::CCluster::Cxyz::absX, protocols::pockets::CCluster::Cxyz::absY, protocols::pockets::CCluster::Cxyz::absZ, protocols::pockets::CCluster::Cxyz::atom_type, count_, maxX, maxY, maxZ, minX, minY, minZ, points_, solventExposed_, step, subtarget_, target_, protocols::pockets::CCluster::Cxyz::x, protocols::pockets::CCluster::Cxyz::y, and protocols::pockets::CCluster::Cxyz::z.

protocols::pockets::CCluster::CCluster

(

const CCluster &

old

)

References count_, maxX, maxY, maxZ, minX, minY, minZ, points_, solventExposed_, step, subtarget_, and target_.

protocols::pockets::CCluster::~CCluster ( )

inline

Member Function Documentation

void protocols::pockets::CCluster::add	(	core::Size	x,
		core::Size	y,
		core::Size	z,
		std::string	atype,
		core::Real	absX = 0.,
		core::Real	absY = 0.,
		core::Real	absZ = 0.
	)

References protocols::pockets::CCluster::Cxyz::absX, protocols::pockets::CCluster::Cxyz::absY, protocols::pockets::CCluster::Cxyz::absZ, protocols::pockets::CCluster::Cxyz::atom_type, points_, protocols::pockets::CCluster::Cxyz::x, protocols::pockets::CCluster::Cxyz::y, and protocols::pockets::CCluster::Cxyz::z.

bool protocols::pockets::CCluster::isClose

(

CCluster const &

c2

)

const

References maxX, maxY, maxZ, minX, minY, and minZ.

bool protocols::pockets::CCluster::isSolventExposed ( ) const

inline

References solventExposed_.

bool protocols::pockets::CCluster::isTarget ( core::Size  numTargets = 2 ) const

inline

References subtarget_, and target_.

int protocols::pockets::CCluster::size ( ) const

inline

References points_.

bool protocols::pockets::CCluster::testNeighbor

(

CCluster &

c2

)

References maxX, maxY, maxZ, minX, minY, minZ, points_, solventExposed_, step, subtarget_, and target_.

Friends And Related Function Documentation

friend class CClusterSet

friend

friend class ComparisonGrid

friend

friend class EggshellGrid

friend

friend class PocketGrid

friend

friend class TargetPocketGrid

friend

Member Data Documentation

int protocols::pockets::CCluster::count_

private

Referenced by CCluster().

core::Size protocols::pockets::CCluster::maxX

private

Referenced by CCluster(), isClose(), and testNeighbor().

core::Size protocols::pockets::CCluster::maxY

private

Referenced by CCluster(), isClose(), and testNeighbor().

core::Size protocols::pockets::CCluster::maxZ

private

Referenced by CCluster(), isClose(), and testNeighbor().

core::Size protocols::pockets::CCluster::minX

private

Referenced by CCluster(), isClose(), and testNeighbor().

core::Size protocols::pockets::CCluster::minY

private

Referenced by CCluster(), isClose(), and testNeighbor().

core::Size protocols::pockets::CCluster::minZ

private

Referenced by CCluster(), isClose(), and testNeighbor().

std::list< Cxyz > protocols::pockets::CCluster::points_

Referenced by add(), CCluster(), size(), and testNeighbor().

bool protocols::pockets::CCluster::solventExposed_

private

Referenced by CCluster(), isSolventExposed(), and testNeighbor().

core::Real protocols::pockets::CCluster::step

private

Referenced by CCluster(), and testNeighbor().

bool protocols::pockets::CCluster::subtarget_

private

Referenced by CCluster(), isTarget(), and testNeighbor().

bool protocols::pockets::CCluster::target_

private

Referenced by CCluster(), isTarget(), and testNeighbor().

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

• src/protocols/pockets/PocketGrid.hh
• src/protocols/pockets/PocketGrid.cc