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core::scoring::ResidueNblistData Class Reference

#include <ResidueNeighborList.hh>

Inheritance diagram for core::scoring::ResidueNblistData:
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Public Types

typedef
basic::datacache::CacheableData 
parent
 
typedef
basic::datacache::CacheableDataOP 
CacheableDataOP
 
typedef
basic::datacache::CacheableDataCOP 
CacheableDataCOP
 
typedef
etable::count_pair::CountPairFunctionCOP 
CountPairFunctionCOP
 

Public Member Functions

 ResidueNblistData ()
 
 ~ResidueNblistData () override
 
CacheableDataOP clone () const override
 
void initialize (conformation::Residue const &res, CountPairFunctionCOP cpfxn, Real heavy_heavy_dist_cutoff=0.0, Real heavy_hydrogen_dist_cutoff=0.0, Real hydrogen_hydrogen_dist_cutoff=0.0)
 Initialize the residue-nblist; if there are no intra-residue interactions, then provide a null-pointing count-pair function. More...
 
utility::vector1< SmallAtNb >
const & 
atom_neighbors () const
 

Private Attributes

utility::vector1< SmallAtNbatom_neighbors_
 

Member Typedef Documentation

typedef basic::datacache::CacheableDataCOP core::scoring::ResidueNblistData::CacheableDataCOP
typedef basic::datacache::CacheableDataOP core::scoring::ResidueNblistData::CacheableDataOP
typedef basic::datacache::CacheableData core::scoring::ResidueNblistData::parent

Constructor & Destructor Documentation

core::scoring::ResidueNblistData::ResidueNblistData ( )
default
core::scoring::ResidueNblistData::~ResidueNblistData ( )
overridedefault

Member Function Documentation

utility::vector1< SmallAtNb > const& core::scoring::ResidueNblistData::atom_neighbors ( ) const
inline
ResiduePairNeighborList::CacheableDataOP core::scoring::ResidueNblistData::clone ( ) const
override
void core::scoring::ResidueNblistData::initialize ( conformation::Residue const &  res,
CountPairFunctionCOP  cpfxn,
Real  heavy_heavy_dist_cutoff = 0.0,
Real  heavy_hydrogen_dist_cutoff = 0.0,
Real  hydrogen_hydrogen_dist_cutoff = 0.0 
)

Initialize the residue-nblist; if there are no intra-residue interactions, then provide a null-pointing count-pair function.

References core::conformation::Residue::atom_is_hydrogen(), atom_neighbors_, core::conformation::Residue::natoms(), and core::conformation::Residue::xyz().

Member Data Documentation

utility::vector1< SmallAtNb > core::scoring::ResidueNblistData::atom_neighbors_
private

Referenced by atom_neighbors(), and initialize().


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