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core::pack::interaction_graph::InvRotamerDots Class Reference

Used to determine whether the overlap between two atoms is buried or exposed. More...

#include <RotamerDots.hh>

Inheritance diagram for core::pack::interaction_graph::InvRotamerDots:
Inheritance graph
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Public Member Functions

 InvRotamerDots ()
 
 InvRotamerDots (InvRotamerDots const &src)
 
 ~InvRotamerDots () override
 
InvRotamerDotsoperator= (InvRotamerDots const &rhs)
 
void setup_from_rotamer_dots (RotamerDots const &rdots)
 
void setup_from_rotamer_dots (RotamerDots const &rdots, utility::vector1< Size > const &ats_to_update)
 
core::conformation::ResidueCOP rotamer () const
 
bool atom_overlap_is_exposed (Size at1, Size at2) const
 Is the intersection between two atoms on this inv-rotamer-dots object exposed? More...
 
bool atom_overlap_is_exposed (Size at_this, InvRotamerDots const &other, Size at_other) const
 Is the intersection between one atom on this inv-rotamer-dots object, and one atom on another inv-rotamer-dots object exposed? More...
 
bool dot_exposed (Size atomid, Size dot_index) const
 
void write_exposed_dots_to_kinemage (std::ostream &ostr, bool group=false) const
 
void write_circle_intersection_mask_to_kinemage (std::ostream &ostr, Size const atom_this, InvRotamerDots const &invdots_other, Size const atom_other, bool group=false) const
 

Private Member Functions

bool overlap_exposed (core::conformation::Atom const &at1, utility::vector1< ObjexxFCL::ubyte > const &at1exposed_dots, core::conformation::Atom const &at2, utility::vector1< ObjexxFCL::ubyte > const &at2exposed_dots) const
 
void print_dot_bit_string (utility::vector1< ObjexxFCL::ubyte > &values) const
 Helper method I am using to confirm that the dots are being overlapped and bits are being set correctly. More...
 

Private Attributes

core::conformation::ResidueCOP rotamer_
 
utility::vector1
< utility::vector1
< ObjexxFCL::ubyte > > 
inv_dots_
 
utility::vector1< Real > const * radii_
 

Static Private Attributes

static Real const max_dist_from_dot_to_intersection = 0.8
 

Detailed Description

Used to determine whether the overlap between two atoms is buried or exposed.

Constructor & Destructor Documentation

core::pack::interaction_graph::InvRotamerDots::InvRotamerDots ( )
core::pack::interaction_graph::InvRotamerDots::InvRotamerDots ( InvRotamerDots const &  src)
core::pack::interaction_graph::InvRotamerDots::~InvRotamerDots ( )
overridedefault

Member Function Documentation

bool core::pack::interaction_graph::InvRotamerDots::atom_overlap_is_exposed ( Size  at1,
Size  at2 
) const

Is the intersection between two atoms on this inv-rotamer-dots object exposed?

References inv_dots_, overlap_exposed(), and rotamer_.

Referenced by core::pack::interaction_graph::HPatchInteractionGraph< V, E, G >::update_disjoint_sets_using_cache().

bool core::pack::interaction_graph::InvRotamerDots::atom_overlap_is_exposed ( Size  at_this,
InvRotamerDots const &  other,
Size  at_other 
) const

Is the intersection between one atom on this inv-rotamer-dots object, and one atom on another inv-rotamer-dots object exposed?

References inv_dots_, overlap_exposed(), and rotamer_.

bool core::pack::interaction_graph::InvRotamerDots::dot_exposed ( Size  atomid,
Size  dot_index 
) const
InvRotamerDots & core::pack::interaction_graph::InvRotamerDots::operator= ( InvRotamerDots const &  rhs)

References inv_dots_, radii_, and rotamer_.

bool core::pack::interaction_graph::InvRotamerDots::overlap_exposed ( core::conformation::Atom const &  at1,
utility::vector1< ObjexxFCL::ubyte > const &  at1exposed_dots,
core::conformation::Atom const &  at2,
utility::vector1< ObjexxFCL::ubyte > const &  at2exposed_dots 
) const
private
void core::pack::interaction_graph::InvRotamerDots::print_dot_bit_string ( utility::vector1< ObjexxFCL::ubyte > &  values) const
private

Helper method I am using to confirm that the dots are being overlapped and bits are being set correctly.

References core::pack::interaction_graph::RotamerDots::num_bytes_.

Referenced by write_circle_intersection_mask_to_kinemage().

core::conformation::ResidueCOP core::pack::interaction_graph::InvRotamerDots::rotamer ( ) const
void core::pack::interaction_graph::InvRotamerDots::setup_from_rotamer_dots ( RotamerDots const &  rdots)
void core::pack::interaction_graph::InvRotamerDots::setup_from_rotamer_dots ( RotamerDots const &  rdots,
utility::vector1< Size > const &  ats_to_update 
)
void core::pack::interaction_graph::InvRotamerDots::write_circle_intersection_mask_to_kinemage ( std::ostream &  ostr,
Size const  atom_this,
InvRotamerDots const &  invdots_other,
Size const  atom_other,
bool  group = false 
) const
void core::pack::interaction_graph::InvRotamerDots::write_exposed_dots_to_kinemage ( std::ostream &  ostr,
bool  group = false 
) const

Member Data Documentation

utility::vector1< utility::vector1< ObjexxFCL::ubyte > > core::pack::interaction_graph::InvRotamerDots::inv_dots_
private
Real const core::pack::interaction_graph::InvRotamerDots::max_dist_from_dot_to_intersection = 0.8
staticprivate
utility::vector1< Real > const* core::pack::interaction_graph::InvRotamerDots::radii_
private
core::conformation::ResidueCOP core::pack::interaction_graph::InvRotamerDots::rotamer_
private

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