core::scoring::lkball::lkbtrie::LKBAtom Class Reference

#include <LKBAtom.hh>

Public Member Functions
	LKBAtom ()
	~LKBAtom ()
conformation::Atom const &	atom () const
void	atom (conformation::Atom const &base)
Vector const &	xyz () const
void	xyz (Vector const &base)
Size	n_attached_waters () const
WaterCoords const &	waters () const
void	waters (Size n_attached, Size offset, WaterCoords const &waters)
AtomWeights const &	atom_weights () const
void	atom_weights (AtomWeights const &atom_weights)
bool	is_hydrogen () const
	property required by RotamerTrie class More...
void	print () const
	send a description of the atom to standard out More...
void	print (std::ostream &os) const
	send a description of the atom to an output stream More...
bool	operator< (LKBAtom const &other) const
	compairison operator for sorting More...
bool	operator== (LKBAtom const &other) const
	equality operator for shared-prefix detection – must be true if !( a < b ) && !( b < a ) More...

Private Attributes
conformation::Atom	base_
Size	n_attached_waters_
WaterCoords	waters_
AtomWeights	atom_weights_

Constructor & Destructor Documentation

LKBAtom()

core::scoring::lkball::lkbtrie::LKBAtom::LKBAtom

(

)

~LKBAtom()

core::scoring::lkball::lkbtrie::LKBAtom::~LKBAtom ( )

default

Member Function Documentation

atom() [1/2]

conformation::Atom const& core::scoring::lkball::lkbtrie::LKBAtom::atom ( ) const

inline

References base_.

Referenced by core::scoring::lkball::lkbtrie::LKBTrieEvaluator::heavyatom_heavyatom_energy().

atom() [2/2]

void core::scoring::lkball::lkbtrie::LKBAtom::atom ( conformation::Atom const &  base )

inline

References base_.

atom_weights() [1/2]

AtomWeights const& core::scoring::lkball::lkbtrie::LKBAtom::atom_weights ( ) const

inline

References atom_weights_.

Referenced by core::scoring::lkball::lkbtrie::LKBTrieEvaluator::heavyatom_heavyatom_energy().

atom_weights() [2/2]

void core::scoring::lkball::lkbtrie::LKBAtom::atom_weights ( AtomWeights const &  atom_weights )

inline

References atom_weights(), and atom_weights_.

Referenced by atom_weights().

is_hydrogen()

bool core::scoring::lkball::lkbtrie::LKBAtom::is_hydrogen ( ) const

inline

property required by RotamerTrie class

n_attached_waters()

Size core::scoring::lkball::lkbtrie::LKBAtom::n_attached_waters ( ) const

inline

References n_attached_waters_.

Referenced by core::scoring::lkball::lkbtrie::LKBTrieEvaluator::heavyatom_heavyatom_energy().

operator<()

bool core::scoring::lkball::lkbtrie::LKBAtom::operator< ( LKBAtom const &  other ) const

inline

compairison operator for sorting

References atom_weights_, base_, n_attached_waters_, core::conformation::Atom::type(), waters_, and core::conformation::Atom::xyz().

operator==()

bool core::scoring::lkball::lkbtrie::LKBAtom::operator== ( LKBAtom const &  other ) const

inline

equality operator for shared-prefix detection – must be true if !( a < b ) && !( b < a )

References atom_weights_, base_, n_attached_waters_, core::conformation::Atom::type(), waters_, and core::conformation::Atom::xyz().

print() [1/2]

void core::scoring::lkball::lkbtrie::LKBAtom::print

(

)

const

send a description of the atom to standard out

Referenced by core::scoring::lkball::lkbtrie::operator<<().

print() [2/2]

void core::scoring::lkball::lkbtrie::LKBAtom::print

(

std::ostream &

os

)

const

send a description of the atom to an output stream

References base_, and core::conformation::Atom::xyz().

waters() [1/2]

WaterCoords const& core::scoring::lkball::lkbtrie::LKBAtom::waters ( ) const

inline

References waters_.

Referenced by core::scoring::lkball::lkbtrie::LKBTrieEvaluator::heavyatom_heavyatom_energy(), and waters().

waters() [2/2]

void core::scoring::lkball::lkbtrie::LKBAtom::waters ( Size  n_attached, Size  offset, WaterCoords const &  waters  )

inline

References n_attached_waters_, waters(), and waters_.

xyz() [1/2]

Vector const& core::scoring::lkball::lkbtrie::LKBAtom::xyz ( ) const

inline

References base_, and core::conformation::Atom::xyz().

xyz() [2/2]

void core::scoring::lkball::lkbtrie::LKBAtom::xyz ( Vector const &  base )

inline

References base_, and core::conformation::Atom::xyz().

Member Data Documentation

atom_weights_

AtomWeights core::scoring::lkball::lkbtrie::LKBAtom::atom_weights_

private

Referenced by atom_weights(), operator<(), and operator==().

base_

conformation::Atom core::scoring::lkball::lkbtrie::LKBAtom::base_

private

Referenced by atom(), operator<(), operator==(), print(), and xyz().

n_attached_waters_

Size core::scoring::lkball::lkbtrie::LKBAtom::n_attached_waters_

private

Referenced by n_attached_waters(), operator<(), operator==(), and waters().

waters_

WaterCoords core::scoring::lkball::lkbtrie::LKBAtom::waters_

private

Referenced by operator<(), operator==(), and waters().

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

• src/core/scoring/lkball/lkbtrie/LKBAtom.hh
• src/core/scoring/lkball/lkbtrie/LKBAtom.cc