Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Namespaces | Functions
PowerDiagram.cc File Reference

Class for constructing and querying power diagrams. More...

#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/power_diagram/PowerDiagram.hh>
#include <basic/Tracer.hh>
#include <basic/prof.hh>
#include <numeric/numeric.functions.hh>
#include <numeric/xyzVector.io.hh>
#include <numeric/constants.hh>
#include <utility/exit.hh>
#include <utility/string_util.hh>
#include <ObjexxFCL/format.hh>
#include <stack>
#include <iterator>
#include <functional>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::scoring
 
 core::scoring::power_diagram
 

Functions

static basic::Tracer TR ("core.scoring.power_diagram.PowerDiagram")
 
bool core::scoring::power_diagram::matches_ptr (PDvertexOP elem, PDvertex *test)
 
Real core::scoring::power_diagram::power_distance (Vector const &pt, PDsphere const *sph)
 
void core::scoring::power_diagram::find_intersections (PDsphere const *psph, PDvertex const *vrt1, PDvertex const *vrt2, Vector const &start_pt, Vector const &dir, Real const max_extent, std::list< PDinterOP > &intersections)
 
bool core::scoring::power_diagram::find_intersections (PDsphereCOP psph, Vector const &start_pt, Vector const &dir, Real const max_extent)
 
void core::scoring::power_diagram::find_common_intersection_atoms (PDinterOP inter)
 
utility::vector1
< utility::vector1< SAnode > > 
core::scoring::power_diagram::get_cycles_from_intersections (std::list< PDinterOP > &inters, PDsphere const *this_sph)
 
Real core::scoring::power_diagram::get_sasa_from_cycles (utility::vector1< utility::vector1< SAnode > > &cycles, PDsphere *this_sph)
 
void core::scoring::power_diagram::get_derivs_from_cycles (utility::vector1< utility::vector1< SAnode > > &cycles, PDsphere *this_atom, PDsphere *check_atom, Vector &f1, Vector &f2)
 
void core::scoring::power_diagram::get_derivs_from_cycle (utility::vector1< SAnode > &cycle, PDsphere *this_atom, PDsphere *check_atom, Vector &f1, Vector &f2)
 
bool core::scoring::power_diagram::share_axis_atoms (PDinter const *v1, PDsphere const *a1, PDsphere const *a2)
 
Real core::scoring::power_diagram::get_area_from_cycle (PDsphere *this_atom, utility::vector1< SAnode > &cycle)
 
Vector core::scoring::power_diagram::vertex_xyz_from_generators (PDsphere const *a1, PDsphere const *a2, PDsphere const *a3, PDsphere const *a4)
 
Vector core::scoring::power_diagram::vertex_xyz_from_generators (utility::vector1< PDsphere * > const &gen)
 
void core::scoring::power_diagram::print_points (std::list< PDinterOP > &inters)
 
void core::scoring::power_diagram::print_partners (PDvertexCOP vrt)
 
void core::scoring::power_diagram::print_generators (PDvertexCOP vrt)
 
void core::scoring::power_diagram::print_vertices (std::list< PDvertexOP > &fv, std::list< PDvertexOP > &iv)
 
void core::scoring::power_diagram::print_vertices (std::list< PDvertexOP > &v)
 
PDvertex * core::scoring::power_diagram::find_next_vertex_with_smallest_dist (PDvertex *srch_vrt, PDsphereOP &new_sph, Real &this_dist)
 

Detailed Description

Class for constructing and querying power diagrams.

Author
Jim Havranek (havra.nosp@m.nek@.nosp@m.bioch.nosp@m.em.w.nosp@m.ustl..nosp@m.edu)

Function Documentation

static basic::Tracer TR ( "core.scoring.power_diagram.PowerDiagram"  )
static