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core::scoring::power_diagram::PowerDiagram Class Reference

#include <PowerDiagram.hh>

Public Member Functions

 PowerDiagram ()
 default constructor More...
 
 PowerDiagram (core::pose::Pose &pose)
 power diagram from pose More...
 
 PowerDiagram (PowerDiagram const &)
 copy constructor More...
 
 ~PowerDiagram ()
 default destructor More...
 
PowerDiagramoperator= (PowerDiagram const &pd)
 copy assignment More...
 
PDsphereOP make_new_sphere (core::pose::Pose &p, Size ires, Size iatm)
 
PDsphereOP make_new_sphere (Vector &pos, Real rad)
 
void construct_from_pose (core::pose::Pose &p)
 
void make_initial_power_diagram ()
 
void add_single_atom_to_power_diagram (PDsphereOP &new_atm)
 
void store_new_sphere (PDsphereOP new_sph)
 
std::list< PDinterOPget_intersections_for_atom (Size ires, Size iatm)
 
std::list< PDinterOPget_intersections_for_atom (PDsphere *patom)
 
PDspheresphere_lookup (Size ires, Size iatm)
 
core::Real extract_sasa_for_atom (Size ires, Size iatm)
 
void clear ()
 Clear all data from power diagram. More...
 
Size const & vertex_count ()
 

Private Attributes

Size vertex_count_
 
utility::vector1< PDsphereOPspheres_
 
std::list< PDvertexOPfinite_vertices_
 
std::list< PDvertexOPinfinite_vertices_
 
utility::vector1
< utility::vector1< PDsphere * > > 
sphere_lookup_
 

Constructor & Destructor Documentation

core::scoring::power_diagram::PowerDiagram::PowerDiagram ( )
inline

default constructor

Warning
no initialization of corners for speed, make sure you reset()
or otherwise set corners before adding points
core::scoring::power_diagram::PowerDiagram::PowerDiagram ( core::pose::Pose pose)

power diagram from pose

core::scoring::power_diagram::PowerDiagram::PowerDiagram ( PowerDiagram const &  )
inline

copy constructor

References finite_vertices_, infinite_vertices_, sphere_lookup_, and spheres_.

core::scoring::power_diagram::PowerDiagram::~PowerDiagram ( )
inline

default destructor

Member Function Documentation

void core::scoring::power_diagram::PowerDiagram::add_single_atom_to_power_diagram ( PDsphereOP new_atm)
void core::scoring::power_diagram::PowerDiagram::clear ( )

Clear all data from power diagram.

void core::scoring::power_diagram::PowerDiagram::construct_from_pose ( core::pose::Pose p)
Real core::scoring::power_diagram::PowerDiagram::extract_sasa_for_atom ( Size  ires,
Size  iatm 
)
std::list< PDinterOP > core::scoring::power_diagram::PowerDiagram::get_intersections_for_atom ( Size  ires,
Size  iatm 
)
std::list< PDinterOP > core::scoring::power_diagram::PowerDiagram::get_intersections_for_atom ( PDsphere patom)
void core::scoring::power_diagram::PowerDiagram::make_initial_power_diagram ( )
PDsphereOP core::scoring::power_diagram::PowerDiagram::make_new_sphere ( core::pose::Pose p,
Size  ires,
Size  iatm 
)
PDsphereOP core::scoring::power_diagram::PowerDiagram::make_new_sphere ( Vector pos,
Real  rad 
)
PowerDiagram& core::scoring::power_diagram::PowerDiagram::operator= ( PowerDiagram const &  pd)
inline

copy assignment

References finite_vertices_, infinite_vertices_, sphere_lookup_, and spheres_.

PDsphere* core::scoring::power_diagram::PowerDiagram::sphere_lookup ( Size  ires,
Size  iatm 
)
inline

References sphere_lookup_.

void core::scoring::power_diagram::PowerDiagram::store_new_sphere ( PDsphereOP  new_sph)
inline

References sphere_lookup_, and spheres_.

Size const& core::scoring::power_diagram::PowerDiagram::vertex_count ( )
inline

Member Data Documentation

std::list< PDvertexOP > core::scoring::power_diagram::PowerDiagram::finite_vertices_
private

Referenced by operator=(), and PowerDiagram().

std::list< PDvertexOP > core::scoring::power_diagram::PowerDiagram::infinite_vertices_
private

Referenced by operator=(), and PowerDiagram().

utility::vector1< utility::vector1< PDsphere* > > core::scoring::power_diagram::PowerDiagram::sphere_lookup_
private
utility::vector1< PDsphereOP > core::scoring::power_diagram::PowerDiagram::spheres_
private
Size core::scoring::power_diagram::PowerDiagram::vertex_count_
private

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