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Public Member Functions | Private Types | Private Attributes | List of all members
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

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Member Enumeration Documentation

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)

Member Function Documentation

core::Real protocols::pockets::ComparisonGrid::compareCoverage ( const PocketGrid gr)
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 
)

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

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