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Classes | Typedefs | Functions
protocols::qsar::scoring_grid Namespace Reference

Classes

class  AtrGrid
 
class  AtrGridCreator
 
struct  ChargeAtom
 a very light representation of an atom that is just a charge and a cartesian space position More...
 
class  ChargeGrid
 
class  ChargeGridCreator
 
class  ClassicGrid
 
class  ClassicGridCreator
 
class  GridBase
 
class  GridCreator
 Abstract class fora mover factory. The creator class is responsible for creating a particular mover class. More...
 
class  GridRegistrator
 this templated class will register an instance of a GridCreator (class T) with the GridFactory. It will ensure that no GridCreator is registered twice and centralizes the registration logic More...
 
class  GridFactory
 
class  GridInitMover
 
class  GridInitMoverCreator
 
class  GridManager
 
class  HbaGrid
 
class  HbaGridCreator
 
class  HbdGrid
 
class  HbdGridCreator
 
class  RepGrid
 
class  RepGridCreator
 
class  ScoringGridLoader
 A class for loading ScoringGrids into the XML parser's DataMap. More...
 
class  ScoringGridLoaderCreator
 
class  SingleGrid
 
class  SolvationGrid
 
class  SolvationGridCreator
 
class  SolvationMetaGrid
 
class  SolvationMetaGridCreator
 
class  VdwGrid
 
class  VdwGridCreator
 

Typedefs

typedef
utility::pointer::owning_ptr
< GridBase
GridBaseOP
 
typedef
utility::pointer::owning_ptr
< GridBase const > 
GridBaseCOP
 
typedef
utility::pointer::owning_ptr
< GridCreator
GridCreatorOP
 
typedef
utility::pointer::owning_ptr
< GridCreator const > 
GridCreatorCOP
 
typedef
utility::pointer::owning_ptr
< GridFactory
GridFactoryOP
 
typedef
utility::pointer::owning_ptr
< GridFactory const > 
GridFactoryCOP
 
typedef
utility::pointer::owning_ptr
< GridManager
GridManagerOP
 
typedef
utility::pointer::owning_ptr
< GridManager const > 
GridManagerCOP
 
typedef std::map< std::string,
GridBaseOP
GridMap
 
typedef std::map< std::string,
core::Real
ScoreMap
 
typedef
utility::pointer::owning_ptr
< ScoringGridLoader
ScoringGridLoaderOP
 
typedef
utility::pointer::owning_ptr
< ScoringGridLoader const > 
ScoringGridLoaderCOP
 
typedef
utility::pointer::owning_ptr
< SingleGrid
SingleGridOP
 
typedef
utility::pointer::owning_ptr
< SingleGrid const > 
SingleGridCOP
 
typedef
utility::pointer::owning_ptr
< SolvationGrid
SolvationGridOP
 
typedef
utility::pointer::owning_ptr
< SolvationGrid const > 
SolvationGridCOP
 

Functions

static basic::Tracer GridManagerTracer ("protocols.qsar.scoring_grid.GridManager")
 
static basic::Tracer RepGridTracer ("protocols.ligand_docking.scoring_grid.RepGrid")
 
static basic::Tracer TR ("protocols.qsar.scoring_grid.ScoringGridLoader")
 
static basic::Tracer GridBaseTracer ("protocols.qsar.scoring_grid.SingleGrid")
 

Typedef Documentation

typedef std::map<std::string,GridBaseOP> protocols::qsar::scoring_grid::GridMap
typedef std::map<std::string,core::Real> protocols::qsar::scoring_grid::ScoreMap

Function Documentation

static basic::Tracer protocols::qsar::scoring_grid::GridBaseTracer ( "protocols.qsar.scoring_grid.SingleGrid"  )
static
static basic::Tracer protocols::qsar::scoring_grid::GridManagerTracer ( "protocols.qsar.scoring_grid.GridManager"  )
static
static basic::Tracer protocols::qsar::scoring_grid::RepGridTracer ( "protocols.ligand_docking.scoring_grid.RepGrid"  )
static
static basic::Tracer protocols::qsar::scoring_grid::TR ( "protocols.qsar.scoring_grid.ScoringGridLoader"  )
static