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protocols::pockets::CCluster Class Reference

@ Cluster of exemplar points More...

#include <PocketGrid.hh>

Classes

struct  Cxyz
 

Public Member Functions

 CCluster (core::Size x, core::Size y, core::Size z, std::string atype, core::Real step_, core::Real absX=0., core::Real absY=0., core::Real absZ=0.)
 
 CCluster (const CCluster &old)
 
 ~CCluster ()=default
 
int size () const
 
bool testNeighbor (CCluster &c2)
 
bool isClose (CCluster const &c2) const
 
bool isTarget (core::Size numTargets=2) const
 
bool isSolventExposed () const
 
void add (core::Size x, core::Size y, core::Size z, std::string atype, core::Real absX=0., core::Real absY=0., core::Real absZ=0.)
 

Public Attributes

std::list< Cxyzpoints_
 
bool filterExemplars_
 

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 CClusterSet
 

Detailed Description

@ Cluster of exemplar points

Constructor & Destructor Documentation

protocols::pockets::CCluster::CCluster ( core::Size  x,
core::Size  y,
core::Size  z,
std::string  atype,
core::Real  step_,
core::Real  absX = 0.,
core::Real  absY = 0.,
core::Real  absZ = 0. 
)
protocols::pockets::CCluster::CCluster ( const CCluster old)
protocols::pockets::CCluster::~CCluster ( )
default

Member Function Documentation

void protocols::pockets::CCluster::add ( core::Size  x,
core::Size  y,
core::Size  z,
std::string  atype,
core::Real  absX = 0.,
core::Real  absY = 0.,
core::Real  absZ = 0. 
)
bool protocols::pockets::CCluster::isClose ( CCluster const &  c2) const

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

bool protocols::pockets::CCluster::isSolventExposed ( ) const
inline

References solventExposed_.

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

References subtarget_, and target_.

int protocols::pockets::CCluster::size ( ) const
inline

References points_.

bool protocols::pockets::CCluster::testNeighbor ( CCluster c2)

Friends And Related Function Documentation

friend class CClusterSet
friend
friend class ComparisonGrid
friend
friend class EggshellGrid
friend
friend class ElectrostaticpotentialGrid
friend
friend class PocketGrid
friend
friend class TargetPocketGrid
friend

Member Data Documentation

int protocols::pockets::CCluster::count_
private

Referenced by CCluster().

bool protocols::pockets::CCluster::filterExemplars_
core::Size protocols::pockets::CCluster::maxX
private

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

core::Size protocols::pockets::CCluster::maxY
private

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

core::Size protocols::pockets::CCluster::maxZ
private

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

core::Size protocols::pockets::CCluster::minX
private

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

core::Size protocols::pockets::CCluster::minY
private

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

core::Size protocols::pockets::CCluster::minZ
private

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

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

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

bool protocols::pockets::CCluster::solventExposed_
private
core::Real protocols::pockets::CCluster::step
private

Referenced by CCluster(), and testNeighbor().

bool protocols::pockets::CCluster::subtarget_
private

Referenced by CCluster(), isTarget(), and testNeighbor().

bool protocols::pockets::CCluster::target_
private

Referenced by CCluster(), isTarget(), and testNeighbor().


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