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Public Member Functions | Private Attributes | List of all members
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

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

Member Function Documentation

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

References base_.

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

References atom_weights(), and atom_weights_.

Referenced by atom_weights().

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

property required by RotamerTrie class

Size core::scoring::lkball::lkbtrie::LKBAtom::n_attached_waters ( ) const
inline
bool core::scoring::lkball::lkbtrie::LKBAtom::operator< ( LKBAtom const &  other) const
inline
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().

void core::scoring::lkball::lkbtrie::LKBAtom::print ( ) const

send a description of the atom to standard out

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

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().

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

References n_attached_waters_, and waters_.

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

Member Data Documentation

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

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

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

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

Size core::scoring::lkball::lkbtrie::LKBAtom::n_attached_waters_
private
WaterCoords core::scoring::lkball::lkbtrie::LKBAtom::waters_
private

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


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