protocols::nmr::pcs::AtomGrid Class Reference

#include <PCSLigandTransformMover.hh>

Inheritance diagram for protocols::nmr::pcs::AtomGrid:

Public Member Functions
	AtomGrid (Real const &resolution, bool const &cache_edges=false)
	default constructor More...
	AtomGrid (Real const &resolution, utility::vector1< AtomGridPoint > const &points, bool const &cache_edges=false)
	Construct from a vector of points. More...
	AtomGrid (Real const &resolution, utility::vector1< AtomGridPoint const * > const &points, bool const &cache_edges=false)
	Construct from a vector of points. More...
	~AtomGrid () override
	Destructor. More...
Vector const *	ExtractPosition (AtomGridPoint const &point) const override
	Extract the 3D coordinate of a given object of type VoxelGridPoint. More...
bool	IsSameItem (AtomGridPoint const &point1, AtomGridPoint const &point2) const override
	Check if two grid points are the same. More...
bool	IsRelevantItem (AtomGridPoint const &point) const override
	Check if this item is relevant for neighbor search. More...

Constructor & Destructor Documentation

AtomGrid() [1/3]

protocols::nmr::pcs::AtomGrid::AtomGrid	(	Real const &	resolution,
		bool const &	cache_edges = false
	)

default constructor

AtomGrid() [2/3]

protocols::nmr::pcs::AtomGrid::AtomGrid	(	Real const &	resolution,
		utility::vector1< AtomGridPoint > const &	points,
		bool const &	cache_edges = false
	)

Construct from a vector of points.

AtomGrid() [3/3]

protocols::nmr::pcs::AtomGrid::AtomGrid	(	Real const &	resolution,
		utility::vector1< AtomGridPoint const * > const &	points,
		bool const &	cache_edges = false
	)

Construct from a vector of points.

~AtomGrid()

protocols::nmr::pcs::AtomGrid::~AtomGrid ( )

override

Destructor.

Member Function Documentation

ExtractPosition()

core::Vector const * protocols::nmr::pcs::AtomGrid::ExtractPosition ( AtomGridPoint const &  point ) const

override

Extract the 3D coordinate of a given object of type VoxelGridPoint.

IsRelevantItem()

bool protocols::nmr::pcs::AtomGrid::IsRelevantItem ( AtomGridPoint const &  point ) const

override

Check if this item is relevant for neighbor search.

IsSameItem()

bool protocols::nmr::pcs::AtomGrid::IsSameItem ( AtomGridPoint const &  point1, AtomGridPoint const &  point2  ) const

override

Check if two grid points are the same.

References protocols::nmr::pcs::AtomGridPoint::atom_name(), protocols::nmr::pcs::AtomGridPoint::id(), and protocols::nmr::pcs::AtomGridPoint::residue().

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

• src/protocols/nmr/pcs/PCSLigandTransformMover.hh
• src/protocols/nmr/pcs/PCSLigandTransformMover.cc