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protocols::pockets::CClusterSet Class Reference

@ Set of clusters of exemplar points More...

#include <PocketGrid.hh>

Public Member Functions

 CClusterSet ()
 
CClusterSetoperator= (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< CClusterclusters_
 

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. 
)
void protocols::pockets::CClusterSet::clear ( )
void protocols::pockets::CClusterSet::findClusters ( )
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

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