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Rosetta
2021.16
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Rosetta
2021.16
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#include <PCSLigandTransformMover.hh>
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... | |
| protocols::nmr::pcs::AtomGrid::AtomGrid | ( | Real const & | resolution, |
| bool const & | cache_edges = false |
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| ) |
default constructor
| protocols::nmr::pcs::AtomGrid::AtomGrid | ( | Real const & | resolution, |
| utility::vector1< AtomGridPoint > const & | points, | ||
| bool const & | cache_edges = false |
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| ) |
Construct from a vector of points.
| protocols::nmr::pcs::AtomGrid::AtomGrid | ( | Real const & | resolution, |
| utility::vector1< AtomGridPoint const * > const & | points, | ||
| bool const & | cache_edges = false |
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| ) |
Construct from a vector of points.
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override |
Destructor.
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override |
Extract the 3D coordinate of a given object of type VoxelGridPoint.
References protocols::nmr::pcs::AtomGridPoint::get_coordinates().
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override |
Check if this item is relevant for neighbor search.
References protocols::nmr::pcs::AtomGridPoint::is_relevant_neighbor().
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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().
1.8.7