![]() |
Rosetta
2020.11
|
@ 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 |
@ Set of cluster of pocket points
protocols::pockets::PClusterSet::PClusterSet | ( | ) |
References clusters_.
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_.
|
inline |
References clusters_.
|
friend |
|
friend |
|
friend |
|
friend |
|
friend |
|
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().