protocols::pockets::CClusterSet Class Reference

@ Set of clusters of exemplar points More...

#include <PocketGrid.hh>

Public Member Functions
	CClusterSet ()
CClusterSet &	operator= (const CClusterSet &old)
void	clear ()
std::list< CCluster >::iterator	add (core::Size x, core::Size y, core::Size z, std::string aname, core::Real step, core::Real absX=0., core::Real absY=0., core::Real absZ=0.)
void	findClusters ()
void	join (std::list< CCluster >::iterator c1, std::list< CCluster >::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< CCluster >	clusters_

Friends
class	PocketGrid
class	TargetPocketGrid
class	EggshellGrid
class	ElectrostaticpotentialGrid
class	ComparisonGrid

Detailed Description

@ Set of clusters of exemplar points

Constructor & Destructor Documentation

protocols::pockets::CClusterSet::CClusterSet

(

)

Member Function Documentation

std::list< CCluster >::iterator protocols::pockets::CClusterSet::add	(	core::Size	x,
		core::Size	y,
		core::Size	z,
		std::string	aname,
		core::Real	step,
		core::Real	absX = 0.,
		core::Real	absY = 0.,
		core::Real	absZ = 0.
	)

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

void protocols::pockets::CClusterSet::clear

(

)

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

void protocols::pockets::CClusterSet::findClusters

(

)

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

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

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

void protocols::pockets::CClusterSet::join	(	std::list< CCluster >::iterator	c1,
		std::list< CCluster >::iterator	c2
	)

CClusterSet & protocols::pockets::CClusterSet::operator=

(

const CClusterSet &

old

)

References clusters_.

core::Size protocols::pockets::CClusterSet::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<CCluster> protocols::pockets::CClusterSet::clusters_

private

Referenced by protocols::pockets::PocketGrid::dumpExemplarToFile(), protocols::pockets::PocketGrid::findClustersByExemplars(), protocols::pockets::PocketGrid::findExemplars(), protocols::pockets::PocketGrid::GetExemplarNumAtoms(), protocols::pockets::PocketGrid::GetExemplarNumClusters(), protocols::pockets::PocketGrid::GetExemplarNumPolarAtoms(), protocols::pockets::PocketGrid::linkExemplarsThroughSolvent(), operator=(), 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