protocols::pockets::PCluster Class Reference

@ Cluster of Pocket points More...

#include <PocketGrid.hh>

Classes
struct	Cxyz

Public Member Functions
	PCluster (core::Size x, core::Size y, core::Size z, core::Real step_)
	PCluster (const PCluster &old)
	~PCluster ()
int	size () const
bool	testNeighbor (PCluster &c2)
bool	isClose (PCluster const &c2) const
bool	isTarget (core::Size numTargets=2) const
bool	isSolventExposed () const
void	add (core::Size x, core::Size y, core::Size z)

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	PClusterSet

Detailed Description

@ Cluster of Pocket points

Constructor & Destructor Documentation

protocols::pockets::PCluster::PCluster	(	core::Size	x,
		core::Size	y,
		core::Size	z,
		core::Real	step_
	)

References count_, maxX, maxY, maxZ, minX, minY, minZ, points_, solventExposed_, step, subtarget_, target_, protocols::pockets::PCluster::Cxyz::x, protocols::pockets::PCluster::Cxyz::y, and protocols::pockets::PCluster::Cxyz::z.

protocols::pockets::PCluster::PCluster

(

const PCluster &

old

)

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

protocols::pockets::PCluster::~PCluster ( )

inline

Member Function Documentation

void protocols::pockets::PCluster::add	(	core::Size	x,
		core::Size	y,
		core::Size	z
	)

References points_, protocols::pockets::PCluster::Cxyz::x, protocols::pockets::PCluster::Cxyz::y, and protocols::pockets::PCluster::Cxyz::z.

bool protocols::pockets::PCluster::isClose

(

PCluster const &

c2

)

const

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

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

inline

References solventExposed_.

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

inline

References subtarget_, and target_.

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

inline

References points_.

bool protocols::pockets::PCluster::testNeighbor

(

PCluster &

c2

)

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

Friends And Related Function Documentation

friend class ComparisonGrid

friend

friend class EggshellGrid

friend

friend class PClusterSet

friend

friend class PocketGrid

friend

friend class TargetPocketGrid

friend

Member Data Documentation

int protocols::pockets::PCluster::count_

private

Referenced by PCluster().

core::Size protocols::pockets::PCluster::maxX

private

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

core::Size protocols::pockets::PCluster::maxY

private

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

core::Size protocols::pockets::PCluster::maxZ

private

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

core::Size protocols::pockets::PCluster::minX

private

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

core::Size protocols::pockets::PCluster::minY

private

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

core::Size protocols::pockets::PCluster::minZ

private

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

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

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

bool protocols::pockets::PCluster::solventExposed_

private

Referenced by isSolventExposed(), and PCluster().

core::Real protocols::pockets::PCluster::step

private

Referenced by PCluster().

bool protocols::pockets::PCluster::subtarget_

private

Referenced by isTarget(), and PCluster().

bool protocols::pockets::PCluster::target_

private

Referenced by isTarget(), and PCluster().

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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