#include <AdditionalBackgroundNodesInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::FirstClassNode< V, E, G >:

[legend]

Public Types
typedef std::list< BackgroundToFirstClassEdge< V, E, G > * >	BackgroundEdgeList

typedef std::list< BackgroundToFirstClassEdge< V, E, G > * >::iterator	BackgroundEdgeListIter

typedef std::vector< BackgroundNode< V, E, G > * >	BackgroundNodeVector

typedef std::vector< BackgroundToFirstClassEdge< V, E, G > * >	BackgroundEdgeVector

typedef std::vector< BackgroundToFirstClassEdge< V, E, G > * >::iterator	BackgroundEdgeVectorIter

Public Member Functions
	~FirstClassNode () override
	FirstClassNode destructor. More...

	FirstClassNode (G *owner, int node_id, int num_states)
	FirstClassNode constructor. More...

BackgroundEdgeListIter	add_background_edge (BackgroundToFirstClassEdge< V, E, G > *edge)
	Adds a BackgroundToFirstClassEdge to the node's list of such edges and returns an iterator to that list position. More...

void	drop_background_edge (BackgroundEdgeListIter edge)
	Removes an edge from the node's BackgroundToFirstClassEdge list. More...

unsigned int	count_dynamic_memory () const override
	Returns an int representing the amount of memory in bytes used by this node. More...

Protected Member Functions
int	get_num_edges_to_background_nodes () const

BackgroundToFirstClassEdge< V, E, G > const *	get_edge_to_bg_node (int index) const

BackgroundToFirstClassEdge< V, E, G > *	get_edge_to_bg_node (int index)

int	get_index_of_adjacent_background_node (int index) const

BackgroundNode< V, E, G > const *	get_adjacent_background_node (int index) const

BackgroundNode< V, E, G > *	get_adjacent_background_node (int index)

bool	get_bg_edge_vector_up_to_date_ () const

void	update_bg_edge_vector ()
	Syncs the background edge vector with the background edge list. More...

Private Member Functions
	FirstClassNode ()

	FirstClassNode (FirstClassNode< V, E, G > const &)

FirstClassNode< V, E, G > &	operator= (FirstClassNode< V, E, G > const &)

Private Attributes
int	num_edges_to_bg_nodes_

BackgroundEdgeList	bg_edge_list_

BackgroundEdgeVector	bg_edge_vector_

std::vector< int >	adjacent_bg_node_indices_

BackgroundNodeVector	bg_node_vector_

bool	bg_edge_vector_up_to_date_

Detailed Description

template<typename V, typename E, typename G>
class core::pack::interaction_graph::FirstClassNode< V, E, G >

A background node is a node which is not changing type or rotamer throughout a simulation.

Remarks: No public default constructor makes this class uncopyable.

Member Typedef Documentation

◆ BackgroundEdgeList

template<typename V , typename E , typename G >

typedef std::list< BackgroundToFirstClassEdge< V, E, G >* > core::pack::interaction_graph::FirstClassNode< V, E, G >::BackgroundEdgeList

◆ BackgroundEdgeListIter

template<typename V , typename E , typename G >

typedef std::list< BackgroundToFirstClassEdge< V, E, G >* >::iterator core::pack::interaction_graph::FirstClassNode< V, E, G >::BackgroundEdgeListIter

◆ BackgroundEdgeVector

template<typename V , typename E , typename G >

typedef std::vector< BackgroundToFirstClassEdge< V, E, G >* > core::pack::interaction_graph::FirstClassNode< V, E, G >::BackgroundEdgeVector

◆ BackgroundEdgeVectorIter

template<typename V , typename E , typename G >

typedef std::vector< BackgroundToFirstClassEdge< V, E, G >* >::iterator core::pack::interaction_graph::FirstClassNode< V, E, G >::BackgroundEdgeVectorIter

◆ BackgroundNodeVector

template<typename V , typename E , typename G >

typedef std::vector< BackgroundNode< V, E, G >* > core::pack::interaction_graph::FirstClassNode< V, E, G >::BackgroundNodeVector

Constructor & Destructor Documentation

◆ ~FirstClassNode()

template<typename V , typename E , typename G >

core::pack::interaction_graph::FirstClassNode< V, E, G >::~FirstClassNode

override

FirstClassNode destructor.

◆ FirstClassNode() [1/3]

template<typename V , typename E , typename G >

core::pack::interaction_graph::FirstClassNode< V, E, G >::FirstClassNode	(	G *	owner,
		int	node_id,
		int	num_states
	)

FirstClassNode constructor.

Parameters

owner - [in] - the owning interaction graph node_id - [in] - the index for this node amongst its owners set num_states - [in] - the number of states for this node

◆ FirstClassNode() [2/3]

template<typename V , typename E , typename G >

core::pack::interaction_graph::FirstClassNode< V, E, G >::FirstClassNode ( )

private

◆ FirstClassNode() [3/3]

template<typename V , typename E , typename G >

core::pack::interaction_graph::FirstClassNode< V, E, G >::FirstClassNode ( FirstClassNode< V, E, G > const & )

private

Member Function Documentation

◆ add_background_edge()

template<typename V , typename E , typename G >

std::list< BackgroundToFirstClassEdge< V, E, G > * >::iterator core::pack::interaction_graph::FirstClassNode< V, E, G >::add_background_edge ( BackgroundToFirstClassEdge< V, E, G > * edge_ptr )

Adds a BackgroundToFirstClassEdge to the node's list of such edges and returns an iterator to that list position.

Remarks: Edge addition invalidates the bg_edge_vector_up_to_date_ flag

Parameters

edge_ptr - [in] - a pointer to the BackgroundToFirstClassEdge

◆ count_dynamic_memory()

template<typename V , typename E , typename G >

unsigned int core::pack::interaction_graph::FirstClassNode< V, E, G >::count_dynamic_memory

override

Returns an int representing the amount of memory in bytes used by this node.

Remarks: ronj lists consume more memory because they maintain pointers to the previous and next nodes ronj current calculation uses 4 * # elements in list * sizeof(pointer), but I think this is wrong ronj isn't it only 3 * # elements in list * sizeof(pointer)?

Parameters

total_memory - [out] - the amount of memory used by this node

◆ drop_background_edge()

template<typename V , typename E , typename G >

void core::pack::interaction_graph::FirstClassNode< V, E, G >::drop_background_edge ( BackgroundEdgeListIter edge )

Removes an edge from the node's BackgroundToFirstClassEdge list.

Remarks: Invalidates bg_edge_vector_up_to_date_ flag

Parameters

edge	- [in] - the iterator to the edge; in order to guarantee constant time edge deletion, each edge keeps iterators to its position in the edge lists of the nodes it's incident upon. It hands these iterators back to the nodes when it wants to delete itself.

◆ get_adjacent_background_node() [1/2]

template<typename V , typename E , typename G >

BackgroundNode< V, E, G >* core::pack::interaction_graph::FirstClassNode< V, E, G >::get_adjacent_background_node ( int index )

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_up_to_date_, and core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_node_vector_.

◆ get_adjacent_background_node() [2/2]

template<typename V , typename E , typename G >

BackgroundNode< V, E, G > const* core::pack::interaction_graph::FirstClassNode< V, E, G >::get_adjacent_background_node ( int index ) const

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_up_to_date_, and core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_node_vector_.

Referenced by core::pack::interaction_graph::NPDHBondNode< V, E, G >::get_adjacent_npd_hbond_bg_node().

◆ get_bg_edge_vector_up_to_date_()

template<typename V , typename E , typename G >

bool core::pack::interaction_graph::FirstClassNode< V, E, G >::get_bg_edge_vector_up_to_date_ ( ) const

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_up_to_date_.

◆ get_edge_to_bg_node() [1/2]

template<typename V , typename E , typename G >

BackgroundToFirstClassEdge< V, E, G >* core::pack::interaction_graph::FirstClassNode< V, E, G >::get_edge_to_bg_node ( int index )

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_, and core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_up_to_date_.

◆ get_edge_to_bg_node() [2/2]

template<typename V , typename E , typename G >

BackgroundToFirstClassEdge< V, E, G > const* core::pack::interaction_graph::FirstClassNode< V, E, G >::get_edge_to_bg_node ( int index ) const

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_, and core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_up_to_date_.

Referenced by core::pack::interaction_graph::HPatchNode< V, E, G >::get_edge_to_hpatch_bg_node(), core::pack::interaction_graph::NPDHBondNode< V, E, G >::get_edge_to_npd_hbond_bg_node(), and core::pack::interaction_graph::SurfaceNode< V, E, G >::get_edge_to_surface_bg_node().

◆ get_index_of_adjacent_background_node()

template<typename V , typename E , typename G >

int core::pack::interaction_graph::FirstClassNode< V, E, G >::get_index_of_adjacent_background_node ( int index ) const

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::adjacent_bg_node_indices_, and core::pack::interaction_graph::FirstClassNode< V, E, G >::bg_edge_vector_up_to_date_.

◆ get_num_edges_to_background_nodes()

template<typename V , typename E , typename G >

int core::pack::interaction_graph::FirstClassNode< V, E, G >::get_num_edges_to_background_nodes ( ) const

inlineprotected

References core::pack::interaction_graph::FirstClassNode< V, E, G >::num_edges_to_bg_nodes_.

◆ operator=()

template<typename V , typename E , typename G >

FirstClassNode< V, E, G >& core::pack::interaction_graph::FirstClassNode< V, E, G >::operator= ( FirstClassNode< V, E, G > const & )

private

◆ update_bg_edge_vector()

template<typename V , typename E , typename G >

void core::pack::interaction_graph::FirstClassNode< V, E, G >::update_bg_edge_vector

protected

Syncs the background edge vector with the background edge list.

Updates the vector of pointers to background edges to correspond to the list of background edges. Informs its incident edges of their position in its vector.