protocols::pockets::ComparisonGrid Class Reference

@ More...

#include <PocketGrid.hh>

Public Member Functions
	ComparisonGrid (const PocketGrid &gr)
core::Real	mark (const protocols::pockets::PocketGrid &gr, core::Real x, core::Real y, core::Real z, core::Real const &vdWd, core::Real const &penalty)
core::Real	compareCoverage (const PocketGrid &gr)

Private Types
enum	PtType {   EMPTY, PROTEIN, TARGET, SUBTARGET,   HSURFACE, PSURFACE, POCKET, PO_SURF,   PO_BURIED, T_SURFACE, ST_SURFACE, TP_POCKET,   TP_SURF, TP_BURIED, PO_EDGE, TP_EDGE,   PSP, EGGSHELL, EGGSHELL_SURROUNDING, LIGAND }

Private Attributes
std::vector< std::vector < std::vector< PtType > > >	grid_
core::Size	xdim_
core::Size	ydim_
core::Size	zdim_
core::Real	xcorn_
core::Real	ycorn_
core::Real	zcorn_
core::Real	stepSize_

Detailed Description

@

Member Enumeration Documentation

enum protocols::pockets::ComparisonGrid::PtType

private

Enumerator
EMPTY
PROTEIN
TARGET
SUBTARGET
HSURFACE
PSURFACE
POCKET
PO_SURF
PO_BURIED
T_SURFACE
ST_SURFACE
TP_POCKET
TP_SURF
TP_BURIED
PO_EDGE
TP_EDGE
PSP
EGGSHELL
EGGSHELL_SURROUNDING
LIGAND

Constructor & Destructor Documentation

protocols::pockets::ComparisonGrid::ComparisonGrid

(

const PocketGrid &

gr

)

References protocols::pockets::PocketGrid::EMPTY, protocols::pockets::PocketGrid::grid_, protocols::pockets::PocketGrid::stepSize_, protocols::pockets::PocketGrid::xcorn_, protocols::pockets::PocketGrid::xdim_, protocols::pockets::PocketGrid::ycorn_, protocols::pockets::PocketGrid::ydim_, protocols::pockets::PocketGrid::zcorn_, and protocols::pockets::PocketGrid::zdim_.

Member Function Documentation

core::Real protocols::pockets::ComparisonGrid::compareCoverage

(

const PocketGrid &

gr

)

References protocols::pockets::PClusterSet::clusters_, protocols::pockets::PocketGrid::clusters_, protocols::pockets::PocketGrid::EMPTY, protocols::pockets::PocketGrid::grid_, protocols::pockets::PocketGrid::minPockSize_, protocols::pockets::PocketGrid::stepSize_, protocols::pockets::PocketGrid::TP_BURIED, protocols::pockets::PocketGrid::TP_EDGE, and protocols::pockets::PocketGrid::TP_POCKET.

Referenced by protocols::pockets::PocketExemplarMultifunc::operator()().

core::Real protocols::pockets::ComparisonGrid::mark	(	const protocols::pockets::PocketGrid &	gr,
		core::Real	x,
		core::Real	y,
		core::Real	z,
		core::Real const &	vdWd,
		core::Real const &	penalty
	)

References protocols::pockets::PocketGrid::grid_, core::chemical::LIGAND, protocols::mean_field::max(), protocols::mean_field::min(), protocols::pockets::PocketGrid::PROTEIN, protocols::pockets::PocketGrid::stepSize_, protocols::pockets::PocketGrid::SUBTARGET, protocols::pockets::PocketGrid::TARGET, protocols::pockets::PocketGrid::TP_BURIED, protocols::pockets::PocketGrid::TP_EDGE, protocols::pockets::PocketGrid::TP_POCKET, protocols::pockets::PocketGrid::xcorn_, protocols::pockets::PocketGrid::xdim_, protocols::pockets::PocketGrid::ycorn_, protocols::pockets::PocketGrid::ydim_, protocols::pockets::PocketGrid::zcorn_, and protocols::pockets::PocketGrid::zdim_.

Referenced by protocols::pockets::PocketExemplarMultifunc::operator()().

Member Data Documentation

std::vector< std::vector < std::vector <PtType> > > protocols::pockets::ComparisonGrid::grid_

private

core::Real protocols::pockets::ComparisonGrid::stepSize_

private

core::Real protocols::pockets::ComparisonGrid::xcorn_

private

core::Size protocols::pockets::ComparisonGrid::xdim_

private

core::Real protocols::pockets::ComparisonGrid::ycorn_

private

core::Size protocols::pockets::ComparisonGrid::ydim_

private

core::Real protocols::pockets::ComparisonGrid::zcorn_

private

core::Size protocols::pockets::ComparisonGrid::zdim_

private

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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