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core::pack::interaction_graph::SimpleEdge Class Reference

#include <SimpleInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::SimpleEdge:
Inheritance graph
[legend]

Public Member Functions

 SimpleEdge (utility::graph::Graph *owner, Size res1, Size res2)
 
 ~SimpleEdge () override
 
void copy_from (utility::graph::Edge const *) override
 
platform::Size count_static_memory () const override
 
platform::Size count_dynamic_memory () const override
 
void compute_energy (bool use_current_node1, bool use_current_node2)
 
Real get_current_energy () const
 
Real get_proposed_energy () const
 
void update_current_energy ()
 
void update_proposed_energy ()
 
virtual void commit_change ()
 
bool calc_long_range ()
 
void calc_long_range (bool setting)
 
bool calc_short_range ()
 
void calc_short_range (bool setting)
 

Private Member Functions

SimpleInteractionGraphget_simple_ig_owner ()
 
SimpleInteractionGraph const * get_simple_ig_owner () const
 
Real get_bb_E (conformation::Residue const &r1, conformation::Residue const &r2)
 
Size get_bb_index (conformation::Residue const &r) const
 These functions are to carefully gate access to the c-style, index-from-zero arrays. More...
 
bool bb_bb_boundaries (Size ind1, Size ind2) const
 
bool bb_bbE_calced (Size ind1, Size ind2) const
 
void set_bb_bbE_calced (Size ind1, Size ind2)
 
void set_bb_bbE (Size ind1, Size ind2, Real val)
 
Real bb_bbE (Size ind1, Size ind2) const
 

Private Attributes

Real current_energy_
 
Real proposed_energy_
 
bool bb_bbE_calced_ [3][3]
 
Real bb_bbE_ [3][3]
 
bool calc_short_range_
 
bool calc_long_range_
 

Constructor & Destructor Documentation

core::pack::interaction_graph::SimpleEdge::SimpleEdge ( utility::graph::Graph *  owner,
Size  res1,
Size  res2 
)

References bb_bbE_, and bb_bbE_calced_.

core::pack::interaction_graph::SimpleEdge::~SimpleEdge ( )
overridedefault

Member Function Documentation

bool core::pack::interaction_graph::SimpleEdge::bb_bb_boundaries ( Size  ind1,
Size  ind2 
) const
private
Real core::pack::interaction_graph::SimpleEdge::bb_bbE ( Size  ind1,
Size  ind2 
) const
private

References bb_bb_boundaries(), and bb_bbE_.

Referenced by get_bb_E().

bool core::pack::interaction_graph::SimpleEdge::bb_bbE_calced ( Size  ind1,
Size  ind2 
) const
private

References bb_bb_boundaries(), and bb_bbE_calced_.

Referenced by get_bb_E().

bool core::pack::interaction_graph::SimpleEdge::calc_long_range ( )
inline
void core::pack::interaction_graph::SimpleEdge::calc_long_range ( bool  setting)
inline

References calc_long_range_.

bool core::pack::interaction_graph::SimpleEdge::calc_short_range ( )
inline
void core::pack::interaction_graph::SimpleEdge::calc_short_range ( bool  setting)
inline

References calc_short_range_.

void core::pack::interaction_graph::SimpleEdge::commit_change ( )
virtual
void core::pack::interaction_graph::SimpleEdge::compute_energy ( bool  use_current_node1,
bool  use_current_node2 
)
void core::pack::interaction_graph::SimpleEdge::copy_from ( utility::graph::Edge const *  )
inlineoverride
platform::Size core::pack::interaction_graph::SimpleEdge::count_dynamic_memory ( ) const
inlineoverride
platform::Size core::pack::interaction_graph::SimpleEdge::count_static_memory ( ) const
inlineoverride
Real core::pack::interaction_graph::SimpleEdge::get_bb_E ( conformation::Residue const &  r1,
conformation::Residue const &  r2 
)
private
Size core::pack::interaction_graph::SimpleEdge::get_bb_index ( conformation::Residue const &  r) const
private

These functions are to carefully gate access to the c-style, index-from-zero arrays.

References core::conformation::Residue::aa(), core::chemical::aa_gly, and core::chemical::aa_pro.

Referenced by get_bb_E().

Real core::pack::interaction_graph::SimpleEdge::get_current_energy ( ) const

References current_energy_.

Real core::pack::interaction_graph::SimpleEdge::get_proposed_energy ( ) const

References proposed_energy_.

SimpleInteractionGraph * core::pack::interaction_graph::SimpleEdge::get_simple_ig_owner ( )
inlineprivate
SimpleInteractionGraph const * core::pack::interaction_graph::SimpleEdge::get_simple_ig_owner ( ) const
inlineprivate
void core::pack::interaction_graph::SimpleEdge::set_bb_bbE ( Size  ind1,
Size  ind2,
Real  val 
)
private
void core::pack::interaction_graph::SimpleEdge::set_bb_bbE_calced ( Size  ind1,
Size  ind2 
)
private

References bb_bb_boundaries(), and bb_bbE_calced_.

Referenced by get_bb_E().

void core::pack::interaction_graph::SimpleEdge::update_current_energy ( )

References compute_energy().

void core::pack::interaction_graph::SimpleEdge::update_proposed_energy ( )

References compute_energy().

Member Data Documentation

Real core::pack::interaction_graph::SimpleEdge::bb_bbE_[3][3]
private

Referenced by bb_bbE(), set_bb_bbE(), and SimpleEdge().

bool core::pack::interaction_graph::SimpleEdge::bb_bbE_calced_[3][3]
private
bool core::pack::interaction_graph::SimpleEdge::calc_long_range_
private

Referenced by calc_long_range(), and compute_energy().

bool core::pack::interaction_graph::SimpleEdge::calc_short_range_
private

Referenced by calc_short_range(), and compute_energy().

Real core::pack::interaction_graph::SimpleEdge::current_energy_
private
Real core::pack::interaction_graph::SimpleEdge::proposed_energy_
private

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