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core::scoring::hackelec::ElecAtom Class Reference

#include <ElecAtom.hh>

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Public Types

typedef conformation::Atom parent
 

Public Member Functions

 ElecAtom ()
 
 ElecAtom (conformation::Residue const &res, Size atom_index)
 
virtual ~ElecAtom ()
 non-virtual destructor to keep ElecAtom small and lightweight as a virtual destructor would add a vtable to the class But I fear leaks... do I know how xyzVector dealloates its data? More...
 
int atom_type () const
 deprecated! More...
 
void atom_type (int setting)
 deprecated! More...
 
Real charge () const
 
void charge (Real setting)
 
bool is_hydrogen () const
 property required by RotamerTrie class More...
 
void is_hydrogen (bool setting)
 setter method for data 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< (ElecAtom const &other) const
 compairison operator for sorting More...
 
bool operator== (ElecAtom const &other) const
 equality operator for shared-prefix detection More...
 
bool isbb () const
 
- Public Member Functions inherited from core::conformation::Atom
 Atom ()
 default constructor and set atom type number to 0 and place the atom at the origin More...
 
 Atom (ShortSize const type_in, ShortSize const mm_type_in)
 constructor with an atom type number More...
 
 Atom (Vector const &xyz_in, ShortSize const type_in, ShortSize const mm_type_in)
 constructor with xyz and an atom type number More...
 
virtual ~Atom ()
 destructor More...
 
void type (ShortSize const type_in)
 set the atom type number More...
 
ShortSize type () const
 Returns the AtomType number. More...
 
void mm_type (ShortSize const mm_type_in)
 set the mm atom type number More...
 
ShortSize mm_type () const
 get the mm atom type number More...
 
Vector const & xyz () const
 Returns the atom coordinates as an xyzVector. More...
 
void xyz (Vector const &xyz_in)
 Sets the atom coordinates using an xyzVector. More...
 

Private Attributes

bool isbb_
 
bool is_hydrogen_
 
Real charge_
 

Member Typedef Documentation

Constructor & Destructor Documentation

core::scoring::hackelec::ElecAtom::ElecAtom ( )
core::scoring::hackelec::ElecAtom::ElecAtom ( conformation::Residue const &  res,
Size  atom_index 
)
core::scoring::hackelec::ElecAtom::~ElecAtom ( )
virtual

non-virtual destructor to keep ElecAtom small and lightweight as a virtual destructor would add a vtable to the class But I fear leaks... do I know how xyzVector dealloates its data?

Member Function Documentation

int core::scoring::hackelec::ElecAtom::atom_type ( ) const
inline

deprecated!

References core::conformation::Atom::type().

void core::scoring::hackelec::ElecAtom::atom_type ( int  setting)
inline

deprecated!

References core::conformation::Atom::type().

Real core::scoring::hackelec::ElecAtom::charge ( ) const
inline
void core::scoring::hackelec::ElecAtom::charge ( Real  setting)
inline

References charge_.

bool core::scoring::hackelec::ElecAtom::is_hydrogen ( ) const
inline

property required by RotamerTrie class

References is_hydrogen_.

void core::scoring::hackelec::ElecAtom::is_hydrogen ( bool  setting)
inline

setter method for data required by RotamerTrie class

References is_hydrogen_.

bool core::scoring::hackelec::ElecAtom::isbb ( ) const
inline
bool core::scoring::hackelec::ElecAtom::operator< ( ElecAtom const &  other) const
inline

compairison operator for sorting

References charge_, isbb(), core::conformation::Atom::type(), and core::conformation::Atom::xyz().

bool core::scoring::hackelec::ElecAtom::operator== ( ElecAtom const &  other) const
inline

equality operator for shared-prefix detection

References charge_, isbb(), core::conformation::Atom::type(), and core::conformation::Atom::xyz().

void core::scoring::hackelec::ElecAtom::print ( ) const

send a description of the atom to standard out

Referenced by core::scoring::hackelec::operator<<().

void core::scoring::hackelec::ElecAtom::print ( std::ostream &  os) const

send a description of the atom to an output stream

References charge_, isbb_, core::conformation::Atom::type(), and core::conformation::Atom::xyz().

Member Data Documentation

Real core::scoring::hackelec::ElecAtom::charge_
private

Referenced by charge(), operator<(), operator==(), and print().

bool core::scoring::hackelec::ElecAtom::is_hydrogen_
private

Referenced by is_hydrogen().

bool core::scoring::hackelec::ElecAtom::isbb_
private

Referenced by isbb(), and print().


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