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Public Member Functions | Public Attributes | Private Attributes | Friends | List of all members
core::scoring::packstat::SimplePDB Class Reference

#include <SimplePDB.hh>

Public Member Functions

 SimplePDB ()
 
 ~SimplePDB ()
 
Spheres get_spheres (AtomRadiusMap const &arm) const
 
utility::vector1
< numeric::xyzVector
< PackstatReal > > 
get_res_centers () const
 
void remove_surface_waters ()
 
core::Size num_water () const
 
utility::vector1< std::string > & res_labels () const
 
PosePackDataOP get_pose_pack_data () const
 
std::size_t natom () const
 
utility::vector1
< SimplePDB_Atom > & 
atoms ()
 
utility::vector1
< SimplePDB_Atom > const & 
atoms () const
 
SimplePDB_Atomatom (std::size_t const i)
 
SimplePDB_Atom const & atom (std::size_t const i) const
 

Public Attributes

utility::vector1< std::string > res_labels_
 

Private Attributes

utility::vector1< SimplePDB_Atomatoms_
 

Friends

std::istream & operator>> (std::istream &in, SimplePDB &pdb)
 
std::ostream & operator<< (std::ostream &out, SimplePDB const &pdb)
 

Constructor & Destructor Documentation

core::scoring::packstat::SimplePDB::SimplePDB ( )
inline
core::scoring::packstat::SimplePDB::~SimplePDB ( )
inline

Member Function Documentation

SimplePDB_Atom& core::scoring::packstat::SimplePDB::atom ( std::size_t const  i)
inline

References atoms_.

Referenced by get_res_centers(), and get_spheres().

SimplePDB_Atom const& core::scoring::packstat::SimplePDB::atom ( std::size_t const  i) const
inline

References atoms_.

utility::vector1<SimplePDB_Atom>& core::scoring::packstat::SimplePDB::atoms ( )
inline

References atoms_.

utility::vector1<SimplePDB_Atom> const& core::scoring::packstat::SimplePDB::atoms ( ) const
inline

References atoms_.

PosePackDataOP core::scoring::packstat::SimplePDB::get_pose_pack_data ( ) const
utility::vector1< numeric::xyzVector< PackstatReal > > core::scoring::packstat::SimplePDB::get_res_centers ( ) const
Spheres core::scoring::packstat::SimplePDB::get_spheres ( AtomRadiusMap const &  arm) const
std::size_t core::scoring::packstat::SimplePDB::natom ( ) const
inline

References atoms_.

core::Size core::scoring::packstat::SimplePDB::num_water ( ) const

References atoms_.

void core::scoring::packstat::SimplePDB::remove_surface_waters ( )

References atoms_.

Referenced by core::scoring::packstat::operator>>().

utility::vector1<std::string>& core::scoring::packstat::SimplePDB::res_labels ( ) const
inline

References res_labels_.

Referenced by get_pose_pack_data().

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
SimplePDB const &  pdb 
)
friend
std::istream& operator>> ( std::istream &  in,
SimplePDB pdb 
)
friend

Member Data Documentation

utility::vector1<SimplePDB_Atom> core::scoring::packstat::SimplePDB::atoms_
private
utility::vector1<std::string> core::scoring::packstat::SimplePDB::res_labels_
mutable

Referenced by get_res_centers(), and res_labels().


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