#include <ResidueNeighborList.hh>

Inheritance diagram for core::scoring::ResidueNblistData:

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< SmallAtNb >	atom_neighbors_

Member Typedef Documentation

◆ CacheableDataCOP

typedef basic::datacache::CacheableDataCOP core::scoring::ResidueNblistData::CacheableDataCOP

◆ CacheableDataOP

typedef basic::datacache::CacheableDataOP core::scoring::ResidueNblistData::CacheableDataOP

◆ CountPairFunctionCOP

typedef etable::count_pair::CountPairFunctionCOP core::scoring::ResidueNblistData::CountPairFunctionCOP

◆ parent

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

Constructor & Destructor Documentation

◆ ResidueNblistData()

core::scoring::ResidueNblistData::ResidueNblistData ( )

default

◆ ~ResidueNblistData()

core::scoring::ResidueNblistData::~ResidueNblistData ( )

overridedefault

Member Function Documentation

◆ atom_neighbors()

utility::vector1< SmallAtNb > const& core::scoring::ResidueNblistData::atom_neighbors ( ) const

inline

References atom_neighbors_.

Referenced by core::scoring::etable::BaseEtableEnergy< Derived >::eval_intrares_derivatives(), and core::scoring::etable::BaseEtableEnergy< Derived >::eval_intrares_energy_ext().

◆ clone()

ResiduePairNeighborList::CacheableDataOP core::scoring::ResidueNblistData::clone ( ) const

override

◆ initialize()

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

◆ atom_neighbors_

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:

src/core/scoring/ResidueNeighborList.hh
src/core/scoring/ResidueNeighborList.cc

Public Types

Public Member Functions

Private Attributes