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core::scoring::vdwaals::VDWAtom Class Reference

#include <VDWTrie.hh>

Public Member Functions

 VDWAtom ()
 
 VDWAtom (core::conformation::Residue const &res, Size index)
 
 ~VDWAtom ()
 
Vector const & xyz () const
 
void xyz (Vector const &setting)
 
int atom_type () const
 
void atom_type (int setting)
 
bool is_hydrogen () const
 method required for the trie More...
 
void is_hydrogen (bool setting)
 setter More...
 
bool is_wat () const
 hydrate/SPaDES protocol More...
 
void is_wat (bool setting)
 hydrate/SPaDES protocol 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< (VDWAtom const &other) const
 comparison operator for sorting More...
 
bool operator== (VDWAtom const &other) const
 equality operator for shared-prefix detection More...
 

Private Attributes

Vector xyz_
 
int is_hydrogen_
 
int atom_type_
 
bool is_wat_
 

Friends

std::ostream & operator<< (std::ostream &os, VDWAtom const &at)
 

Constructor & Destructor Documentation

core::scoring::vdwaals::VDWAtom::VDWAtom ( )
core::scoring::vdwaals::VDWAtom::VDWAtom ( core::conformation::Residue const &  res,
Size  index 
)
core::scoring::vdwaals::VDWAtom::~VDWAtom ( )
inline

Member Function Documentation

int core::scoring::vdwaals::VDWAtom::atom_type ( ) const
inline
void core::scoring::vdwaals::VDWAtom::atom_type ( int  setting)

References atom_type_.

bool core::scoring::vdwaals::VDWAtom::is_hydrogen ( ) const
inline

method required for the trie

References is_hydrogen_.

void core::scoring::vdwaals::VDWAtom::is_hydrogen ( bool  setting)

setter

References is_hydrogen_.

bool core::scoring::vdwaals::VDWAtom::is_wat ( ) const
inline

hydrate/SPaDES protocol

References is_wat_.

void core::scoring::vdwaals::VDWAtom::is_wat ( bool  setting)
inline

hydrate/SPaDES protocol

References is_wat_.

bool core::scoring::vdwaals::VDWAtom::operator< ( VDWAtom const &  other) const
inline

comparison operator for sorting

References atom_type_, is_hydrogen_, and xyz_.

bool core::scoring::vdwaals::VDWAtom::operator== ( VDWAtom const &  other) const
inline

equality operator for shared-prefix detection

References atom_type_, is_hydrogen_, and xyz_.

void core::scoring::vdwaals::VDWAtom::print ( ) const

send a description of the atom to standard out

void core::scoring::vdwaals::VDWAtom::print ( std::ostream &  os) const

send a description of the atom to an output stream

References atom_type_, and xyz().

Vector const& core::scoring::vdwaals::VDWAtom::xyz ( ) const
inline
void core::scoring::vdwaals::VDWAtom::xyz ( Vector const &  setting)

References xyz_.

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  os,
VDWAtom const &  at 
)
friend

Member Data Documentation

int core::scoring::vdwaals::VDWAtom::atom_type_
private
int core::scoring::vdwaals::VDWAtom::is_hydrogen_
private

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

bool core::scoring::vdwaals::VDWAtom::is_wat_
private

Referenced by is_wat().

Vector core::scoring::vdwaals::VDWAtom::xyz_
private

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


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