core::scoring::ResiduePairNeighborList Class Reference

#include <ResidueNeighborList.hh>

Inheritance diagram for core::scoring::ResiduePairNeighborList:

Public Types
typedef basic::datacache::CacheableData	parent
typedef basic::datacache::CacheableDataOP	CacheableDataOP
typedef basic::datacache::CacheableDataCOP	CacheableDataCOP

Public Member Functions
	ResiduePairNeighborList ()
	~ResiduePairNeighborList () override
CacheableDataOP	clone () const override
void	initialize_from_residues (Real vvd2, Real hvd2, Real hhd2, conformation::Residue const &r1, conformation::Residue const &r2, etable::count_pair::CountPairFunctionCOP cpfxn)
void	initialize_from_residues (Real vvd2, Real hvd2, Real hhd2, conformation::Residue const &r1, conformation::Residue const &r2, etable::count_pair::CountPairFunctionCOP cpfxn, std::map< core::Size, core::Size > const &r1_map, std::map< core::Size, core::Size > const &r2_map)
utility::vector1< SmallAtNb > const &	atom_neighbors () const

Private Attributes
utility::vector1< SmallAtNb >	atom_neighbors_

Member Typedef Documentation

typedef basic::datacache::CacheableDataCOP core::scoring::ResiduePairNeighborList::CacheableDataCOP

typedef basic::datacache::CacheableDataOP core::scoring::ResiduePairNeighborList::CacheableDataOP

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

Constructor & Destructor Documentation

core::scoring::ResiduePairNeighborList::ResiduePairNeighborList ( )

default

core::scoring::ResiduePairNeighborList::~ResiduePairNeighborList ( )

overridedefault

Member Function Documentation

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

inline

References atom_neighbors_.

Referenced by core::scoring::etable::BaseEtableEnergy< Derived >::eval_residue_pair_derivatives(), and core::scoring::etable::BaseEtableEnergy< Derived >::residue_pair_energy_ext().

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

override

void core::scoring::ResiduePairNeighborList::initialize_from_residues	(	Real	vvd2,
		Real	hvd2,
		Real	hhd2,
		conformation::Residue const &	r1,
		conformation::Residue const &	r2,
		etable::count_pair::CountPairFunctionCOP	cpfxn
	)

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

void core::scoring::ResiduePairNeighborList::initialize_from_residues	(	Real	vvd2,
		Real	hvd2,
		Real	hhd2,
		conformation::Residue const &	r1,
		conformation::Residue const &	r2,
		etable::count_pair::CountPairFunctionCOP	cpfxn,
		std::map< core::Size, core::Size > const &	r1_map,
		std::map< core::Size, core::Size > const &	r2_map
	)

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::ResiduePairNeighborList::atom_neighbors_

private

Referenced by atom_neighbors(), and initialize_from_residues().

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

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