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 ()=default
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	ElectrostaticpotentialGrid
class	ComparisonGrid
class	PClusterSet

Detailed Description

@ Cluster of Pocket points

Constructor & Destructor Documentation

PCluster() [1/2]

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_, and target_.

PCluster() [2/2]

protocols::pockets::PCluster::PCluster

(

const PCluster &

old

)

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

~PCluster()

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

default

Member Function Documentation

add()

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

References points_.

isClose()

bool protocols::pockets::PCluster::isClose

(

PCluster const &

c2

)

const

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

isSolventExposed()

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

inline

References solventExposed_.

isTarget()

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

inline

References subtarget_, and target_.

size()

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

inline

References points_.

testNeighbor()

bool protocols::pockets::PCluster::testNeighbor

(

PCluster &

c2

)

References protocols::mean_field::max(), maxX, maxY, maxZ, protocols::mean_field::min(), minX, minY, minZ, and points_.

Friends And Related Function Documentation

ComparisonGrid

friend class ComparisonGrid

friend

EggshellGrid

friend class EggshellGrid

friend

ElectrostaticpotentialGrid

friend class ElectrostaticpotentialGrid

friend

PClusterSet

friend class PClusterSet

friend

PocketGrid

friend class PocketGrid

friend

TargetPocketGrid

friend class TargetPocketGrid

friend

Member Data Documentation

count_

int protocols::pockets::PCluster::count_

private

Referenced by PCluster().

maxX

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

private

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

maxY

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

private

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

maxZ

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

private

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

minX

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

private

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

minY

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

private

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

minZ

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

private

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

points_

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

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

solventExposed_

bool protocols::pockets::PCluster::solventExposed_

private

Referenced by isSolventExposed(), and PCluster().

step

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

private

Referenced by PCluster().

subtarget_

bool protocols::pockets::PCluster::subtarget_

private

Referenced by isTarget(), and PCluster().

target_

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