protocols::pockets::PClusterSet Class Reference

@ Set of cluster of pocket points More...

#include <PocketGrid.hh>

Public Member Functions
	PClusterSet ()
PClusterSet &	operator= (const PClusterSet &old)
void	clear ()
std::list< PCluster >::iterator	add (core::Size x, core::Size y, core::Size z, core::Real step)
void	findClusters ()
void	join (std::list< PCluster >::iterator c1, std::list< PCluster >::iterator c2)
core::Real	getLargestClusterSize (core::Real const &stepSize, core::Real const &minClusterSize, core::Size const &numTargets, bool ignoreBuried, bool ignoreSurface)
core::Real	getNetClusterSize (core::Real const &stepSize, core::Real const &minClusterSize, core::Size const &numTargets, bool ignoreBuried, bool ignoreSurface)
core::Size	size ()

Private Attributes
std::list< PCluster >	clusters_

Friends
class	PocketGrid
class	TargetPocketGrid
class	EggshellGrid
class	ElectrostaticpotentialGrid
class	ComparisonGrid

Detailed Description

@ Set of cluster of pocket points

Constructor & Destructor Documentation

protocols::pockets::PClusterSet::PClusterSet

(

)

References clusters_.

Member Function Documentation

std::list< PCluster >::iterator protocols::pockets::PClusterSet::add	(	core::Size	x,
		core::Size	y,
		core::Size	z,
		core::Real	step
	)

References clusters_.

Referenced by protocols::pockets::PocketGrid::clusterCPockets(), and protocols::pockets::PocketGrid::clusterPockets().

void protocols::pockets::PClusterSet::clear

(

)

References clusters_.

Referenced by protocols::pockets::PocketGrid::findClustersByExemplars(), and protocols::pockets::PocketGrid::recenter().

void protocols::pockets::PClusterSet::findClusters

(

)

References clusters_.

core::Real protocols::pockets::PClusterSet::getLargestClusterSize	(	core::Real const &	stepSize,
		core::Real const &	minClusterSize,
		core::Size const &	numTargets,
		bool	ignoreBuried,
		bool	ignoreSurface
	)

References clusters_.

Referenced by protocols::pockets::PocketGrid::largestTargetPocketVolume().

core::Real protocols::pockets::PClusterSet::getNetClusterSize	(	core::Real const &	stepSize,
		core::Real const &	minClusterSize,
		core::Size const &	numTargets,
		bool	ignoreBuried,
		bool	ignoreSurface
	)

References clusters_.

Referenced by protocols::pockets::PocketGrid::netTargetPocketVolume().

void protocols::pockets::PClusterSet::join	(	std::list< PCluster >::iterator	c1,
		std::list< PCluster >::iterator	c2
	)

References clusters_.

Referenced by protocols::pockets::PocketGrid::clusterCPockets(), and protocols::pockets::PocketGrid::clusterPockets().

PClusterSet & protocols::pockets::PClusterSet::operator=

(

const PClusterSet &

old

)

References clusters_.

core::Size protocols::pockets::PClusterSet::size ( )

inline

References clusters_.

Friends And Related Function Documentation

friend class ComparisonGrid

friend

friend class EggshellGrid

friend

friend class ElectrostaticpotentialGrid

friend

friend class PocketGrid

friend

friend class TargetPocketGrid

friend

Member Data Documentation

std::list<PCluster> protocols::pockets::PClusterSet::clusters_

private

Referenced by add(), clear(), protocols::pockets::PocketGrid::clusterCPockets(), protocols::pockets::PocketGrid::clusterPockets(), protocols::pockets::ComparisonGrid::compareCoverage(), protocols::pockets::PocketGrid::dumpGridToFile(), protocols::pockets::PocketGrid::dumpTargetPocketsToFile(), protocols::pockets::PocketGrid::dumpTargetPocketsToPDB(), protocols::pockets::TargetPocketGrid::dumpTargetPocketsToPDB(), findClusters(), protocols::pockets::PocketGrid::findClusters(), protocols::pockets::TargetPocketGrid::findClusters(), protocols::pockets::PocketGrid::findExemplars(), protocols::pockets::PocketGrid::get_pocket_distance(), protocols::pockets::PocketGrid::getBounds(), getLargestClusterSize(), getNetClusterSize(), join(), protocols::pockets::PocketGrid::linkExemplarsThroughSolvent(), protocols::pockets::PocketGrid::markEdgeDepth(), protocols::pockets::PocketGrid::move_pose_to_standard_orie(), operator=(), PClusterSet(), and size().

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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