Rosetta 3.4
Public Types | Public Member Functions | Static Public Member Functions
protocols::match::BumpGrid Class Reference

#include <BumpGrid.hh>

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List of all members.

Public Types

typedef Bool3DGrid::BoundingBox BoundingBox
typedef Bool3DGrid::Bin3D Bin3D
typedef Bool3DGrid::Vector Vector
typedef std::pair< Vector,
core::Real
Sphere
typedef core::Real Real
typedef
utility::pointer::ReferenceCount 
parent

Public Member Functions

 BumpGrid ()
 BumpGrid (BumpGrid const &)
virtual ~BumpGrid ()
BumpGrid const & operator= (BumpGrid const &)
void set_bounding_box (BoundingBox const &bb)
 Initialization.
void set_general_overlap_tolerance (Real tolerated_overlap)
 Set the tolerance for sphere overlap between all sphere types. All tolerances must be set *before* any spheres are ORed into the grid.
void set_pair_overlap_tolerance (ProbeRadius rad1, ProbeRadius rad2, Real tolerated_overlap)
 Set the overlap tolerance for a specific pair of sphere types (e.g. OXY/NIT) The specific tolerance is combined with the general overlap tolerance. All tolerances must be set *before* any spheres are ORed into the grid.
BumpGrid create_bump_grid_for_bb (BoundingBox const &bb) const
BumpGridOP create_new_bump_grid_for_bb (BoundingBox const &bb) const
void or_with (BumpGrid const &)
void and_with (BumpGrid const &)
void or_by_sphere (Sphere const &)
void or_by_sphere (Vector const &center, ProbeRadius radius_type)
bool overlaps (BumpGrid const &) const
bool occupied (ProbeRadius radius_type, Vector const &p) const
 Collision detection by a point p with a given (fixed) radius type. Collision detection is performed in "configuration space", where the obstacles have been convolved with a spherical probe of a given radius. This collision detection is conservative: it will not report a collision to exist that does not, but may miss a collision that does exist.
Real pair_overlap_tolerance (ProbeRadius rad1, ProbeRadius rad2) const
Bool3DGrid const & grid (ProbeRadius radtype) const
Real required_separation_distance (ProbeRadius rad1, ProbeRadius rad2) const

Static Public Member Functions

static Real probe_radius (ProbeRadius radtype)

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::match::BumpGrid::BumpGrid ( )
protocols::match::BumpGrid::BumpGrid ( BumpGrid const &  rhs)
protocols::match::BumpGrid::~BumpGrid ( ) [virtual]

Member Function Documentation

void protocols::match::BumpGrid::and_with ( BumpGrid const &  other)
BumpGrid protocols::match::BumpGrid::create_bump_grid_for_bb ( BoundingBox const &  bb) const

The input bounding box is assumed to hold all of the (real space) spheres that should be represented. Create a larger bounding box big enough to hold all of the configuration space spheres.

References set_bounding_box().

BumpGridOP protocols::match::BumpGrid::create_new_bump_grid_for_bb ( BoundingBox const &  bb) const
Bool3DGrid const& protocols::match::BumpGrid::grid ( ProbeRadius  radtype) const [inline]
bool protocols::match::BumpGrid::occupied ( ProbeRadius  radius_type,
Vector const &  p 
) const

Collision detection by a point p with a given (fixed) radius type. Collision detection is performed in "configuration space", where the obstacles have been convolved with a spherical probe of a given radius. This collision detection is conservative: it will not report a collision to exist that does not, but may miss a collision that does exist.

References contains, and protocols::match::ZERO.

BumpGrid const & protocols::match::BumpGrid::operator= ( BumpGrid const &  rhs)
void protocols::match::BumpGrid::or_by_sphere ( Sphere const &  input)

Input sphere is a real-space sphere -- it's radius will be increased by the varying probe radii to create the varying configuration-space spheres.

References protocols::match::n_probe_radii, and probe_radius().

Referenced by protocols::match::fill_grid_with_backbone_heavyatom_spheres(), protocols::match::fill_grid_with_residue_heavyatom_spheres(), and protocols::match::fill_grid_with_residue_spheres().

void protocols::match::BumpGrid::or_by_sphere ( Vector const &  center,
ProbeRadius  radius_type 
)
void protocols::match::BumpGrid::or_with ( BumpGrid const &  other)
bool protocols::match::BumpGrid::overlaps ( BumpGrid const &  other) const
BumpGrid::Real protocols::match::BumpGrid::pair_overlap_tolerance ( ProbeRadius  rad1,
ProbeRadius  rad2 
) const
static Real protocols::match::BumpGrid::probe_radius ( ProbeRadius  radtype) [inline, static]
Real protocols::match::BumpGrid::required_separation_distance ( ProbeRadius  rad1,
ProbeRadius  rad2 
) const [inline]
void protocols::match::BumpGrid::set_bounding_box ( BoundingBox const &  bb)

Initialization.

References protocols::match::n_probe_radii, and probe_radius().

Referenced by create_bump_grid_for_bb().

void protocols::match::BumpGrid::set_general_overlap_tolerance ( Real  tolerated_overlap)

Set the tolerance for sphere overlap between all sphere types. All tolerances must be set *before* any spheres are ORed into the grid.

void protocols::match::BumpGrid::set_pair_overlap_tolerance ( ProbeRadius  rad1,
ProbeRadius  rad2,
Real  tolerated_overlap 
)

Set the overlap tolerance for a specific pair of sphere types (e.g. OXY/NIT) The specific tolerance is combined with the general overlap tolerance. All tolerances must be set *before* any spheres are ORed into the grid.


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