#include <SimpleInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::SimpleEdge:

Collaboration diagram for core::pack::interaction_graph::SimpleEdge:

Public Member Functions
	SimpleEdge (graph::Graph *owner, Size res1, Size res2)

virtual	~SimpleEdge ()

virtual void	copy_from (graph::Edge const *)
	copy-from for use in Graph::operator= and copy ctors More...

virtual platform::Size	count_static_memory () const
	how much memory is statically allocated by this edge More...

virtual platform::Size	count_dynamic_memory () const
	how much memory is dynamically allocated by this edge – must be recursively invoked by a derived class. More...

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 ()

void	commit_change ()

Public Member Functions inherited from core::graph::Edge
virtual	~Edge ()
	destructor More...

	Edge (Graph *owner, platform::Size first_node_ind, platform::Size second_node_ind)
	Main edge constructor. This should only be invoked by create_new_edge, which itself is only called by add_edge. The ONLY way an edge should be added to a graph is through add_edge. NOTE: edges should be only be deleted by a call to the Graph's delete_edge method, and this method absolutely must be implemented by derived Graph classes. More...

platform::Size	get_other_ind (platform::Size node_index) const
	returns the index of the one node given the index of the other. node_index must be one of the two nodes that this edge is incident upon. More...

Node const *	get_other_node (platform::Size node_index) const
	returns a const pointer to one node given the index of the other. node_index must be one of the two nodes that this edge is incident upon. More...

Node *	get_other_node (platform::Size node_index)
	returns a non-const pointer to one node given the index of the other. node_index must be one of the two nodes that this edge is incident upon. More...

platform::Size	get_first_node_ind () const
	returns the index of the lower node More...

platform::Size	get_second_node_ind () const
	returns the index of the upper node More...

void	set_pos_in_owners_list (EdgeListIter edge_iterator)
	called only by class Graph, this function gives the Edge the data it needs to later delete itself from its owner's edge list in constant time. More...

bool	same_edge (platform::Size node1, platform::Size node2) const
	Is this the same edge as another edge (node1,node2)? Note: this graph does not work for multi-graphs. Edges must be unique. More...

bool	is_loop () const
	Is this edge a loop? In Pseudographs, loop edges are incident twice on a single vertex. More...

Private Member Functions
SimpleInteractionGraph *	get_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
bool	short_range_energies_exist_

bool	long_range_energies_exist_

Real	current_energy_

Real	proposed_energy_

bool	bb_bbE_calced_ [3][3]

Real	bb_bbE_ [3][3]

Additional Inherited Members
Public Types inherited from core::graph::Edge
typedef EdgeListIterator	EdgeListIter

Protected Member Functions inherited from core::graph::Edge
platform::Size	get_node_index (platform::Size index) const
	get the node index for one of the two nodes this edge is incident upon uses c-style index-from-0. More...

Node const *	get_node (platform::Size index) const
	get a const * to one node that this edge is incident upon uses c-style index-from-0 for these two nodes More...

Node *	get_node (platform::Size index)
	get a non-const * to one node that this edge is incident upon uses c-style index-from-0 for these two nodes More...

Graph const *	get_owner () const
	get a const * to the owning graph More...

Graph *	get_owner ()
	get a non-const * to the owning graph More...

Detailed Description

Definition at line 165 of file SimpleInteractionGraph.hh.

Constructor & Destructor Documentation

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

Definition at line 327 of file SimpleInteractionGraph.cc.

References bb_bbE_, and bb_bbE_calced_.

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

virtual

Definition at line 342 of file SimpleInteractionGraph.cc.

Member Function Documentation

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

private

Definition at line 491 of file SimpleInteractionGraph.cc.

Referenced by bb_bbE(), bb_bbE_calced(), set_bb_bbE(), and set_bb_bbE_calced().

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

private

Definition at line 519 of file SimpleInteractionGraph.cc.

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

Definition at line 497 of file SimpleInteractionGraph.cc.

References bb_bb_boundaries(), and bb_bbE_calced_.

Referenced by get_bb_E().

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

Definition at line 379 of file SimpleInteractionGraph.cc.

References current_energy_, and proposed_energy_.

Referenced by core::pack::interaction_graph::SimpleNode::commit_change_no_res_pointer_update().

void core::pack::interaction_graph::SimpleEdge::compute_energy	(	bool	use_current_node1,
		bool	use_current_node2
	)

Definition at line 385 of file SimpleInteractionGraph.cc.

Referenced by core::pack::interaction_graph::SimpleInteractionGraph::initialize(), update_current_energy(), and update_proposed_energy().

virtual void core::pack::interaction_graph::SimpleEdge::copy_from ( graph::Edge const * source)

inlinevirtual

copy-from for use in Graph::operator= and copy ctors

derived classes should recursively call the copy_from method to ensure all parent class data is copied. It just so happens that this method does nothing, but that could change and the derived class should include a call to this function for that reason.

Reimplemented from core::graph::Edge.

Definition at line 173 of file SimpleInteractionGraph.hh.

virtual platform::Size core::pack::interaction_graph::SimpleEdge::count_dynamic_memory ( ) const

inlinevirtual

how much memory is dynamically allocated by this edge – must be recursively invoked by a derived class.

memory accounting scheme

This method should be called recursively by derived classes – that is, each class should recurse to its parent.

Reimplemented from core::graph::Edge.

Definition at line 176 of file SimpleInteractionGraph.hh.

virtual platform::Size core::pack::interaction_graph::SimpleEdge::count_static_memory ( ) const

inlinevirtual

how much memory is statically allocated by this edge