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protocols::pockets::PClusterSet Class Reference

@ Set of cluster of pocket points More...

#include <PocketGrid.hh>

Public Member Functions

 PClusterSet ()
 
PClusterSetoperator= (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< PClusterclusters_
 

Friends

class PocketGrid
 
class TargetPocketGrid
 
class EggshellGrid
 
class ElectrostaticpotentialGrid
 
class ComparisonGrid
 

Detailed Description

@ Set of cluster of pocket points

Constructor & Destructor Documentation

◆ PClusterSet()

protocols::pockets::PClusterSet::PClusterSet ( )

References clusters_.

Member Function Documentation

◆ add()

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

◆ clear()

void protocols::pockets::PClusterSet::clear ( )

◆ findClusters()

void protocols::pockets::PClusterSet::findClusters ( )

References clusters_.

◆ getLargestClusterSize()

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

◆ getNetClusterSize()

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

◆ join()

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

◆ operator=()

PClusterSet & protocols::pockets::PClusterSet::operator= ( const PClusterSet old)

References clusters_.

◆ size()

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

References clusters_.

Friends And Related Function Documentation

◆ ComparisonGrid

friend class ComparisonGrid
friend

◆ EggshellGrid

friend class EggshellGrid
friend

◆ ElectrostaticpotentialGrid

friend class ElectrostaticpotentialGrid
friend

◆ PocketGrid

friend class PocketGrid
friend

◆ TargetPocketGrid

friend class TargetPocketGrid
friend

Member Data Documentation

◆ clusters_

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

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