Rosetta Core  2014.35
Public Member Functions | Private Attributes | Friends | List of all members
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...
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_


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 

References type, and xyz.

core::scoring::vdwaals::VDWAtom::~VDWAtom ( )

Member Function Documentation

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

References atom_type_.

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

method required for the trie

References is_hydrogen_.

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


References is_hydrogen_.

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

comparison operator for sorting

References atom_type_, is_hydrogen_, and xyz_.

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

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_, numeric::xyzVector< class >::x(), xyz(), numeric::xyzVector< class >::y(), and numeric::xyzVector< class >::z().

Vector const& core::scoring::vdwaals::VDWAtom::xyz ( ) const
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 

Member Data Documentation

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

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

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

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

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