Defines an edge between a FirstClass (NPDHBondNode) and a background node (NPDHBondBackgroundNode) More...

#include <NPDHBondInteractionGraph.hh>

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

Public Types
typedef BackgroundToFirstClassEdge< V, E, G >	parent

Public Types inherited from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >
typedef std::list < BackgroundToFirstClassEdge < V, E, G > * >::iterator	BackgroundEdgeListIter

Public Member Functions
	NPDHBondBackgroundEdge (AdditionalBackgroundNodesInteractionGraph< V, E, G > *owner, int first_class_node_index, int background_node_index)
	main constructor More...

	~NPDHBondBackgroundEdge () override

void	prepare_for_simulated_annealing () override

void	acknowledge_state_zeroed (Size node_seqpos)
	respond to when one of its vertices enters the "unassigned" state. More...

void	acknowledge_substitution (bool update_hbonds)
	bookkeeping in response to the NPDHBondNode committing the considered substitution More...

unsigned int	count_static_memory () const override

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

void	consider_alternate_state_step1 (int state_index, conformation::Residue const &alt_state, utility::vector1< NPDHBondOP > &res_hbonds, utility::vector1< utility::vector1< NPDHBondOP > > &atom_hbonds, utility::vector1< char > &hbonding_to_res)

Real	consider_alternate_state_step2 (utility::vector1< char > const &hbonding_to_res)

Public Member Functions inherited from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >
virtual	~BackgroundToFirstClassEdge ()
	virtual destructor. The edge removes itself from the graph by informing the two vertices its incident upon to drop it from their edge lists. Constant time edge removal. More...

	BackgroundToFirstClassEdge (AdditionalBackgroundNodesInteractionGraph< V, E, G > *owner, int fc_node_index, int bg_node_index)
	BackgroundToFirstClassEdge constructor - no default or copy constructors; no operator =. More...

int	get_first_class_node_index () const

int	get_background_node_index () const

int	get_other_ind (FirstClassNode< V, E, G > *) const
	returns the index of the second class node More...

int	get_other_ind (BackgroundNode< V, E, G > *) const
	returns the index of the first class node More...

FirstClassNode< V, E, G > *	get_other_node (BackgroundNode< V, E, G > *) const
	returns a pointer to the first class node More...

BackgroundNode< V, E, G > *	get_other_node (FirstClassNode< V, E, G > *) const
	returns a pointer to the second class node More...

void	set_pos_in_owners_list (BackgroundEdgeListIter)
	stores the iterator to this edge in the owning graph's list of background-to-first-class edges. More...

void	set_pos_in_node_edgevector (FirstClassNode< V, E, G > *caller, int pos)
	stores the index of this edge in its first class node's edge vector More...

void	set_pos_in_node_edgevector (BackgroundNode< V, E, G > *caller, int pos)
	stores the index of this edge in its second class node's edge vector More...

bool	same_edge (int fc_node_index, int bg_node_index) const
	returns true if this node is incident upon the two input vertex indices More...

bool	bgtfce_marked_for_deletion ()

Protected Member Functions
NPDHBondNode< V, E, G > const *	get_npd_hbond_node () const

NPDHBondNode< V, E, G > *	get_npd_hbond_node ()

NPDHBondBackgroundNode< V, E, G > const *	get_npd_hbond_bg_node () const

NPDHBondBackgroundNode< V, E, G > *	get_npd_hbond_bg_node ()

NPDHBondInteractionGraph< V, E, G > const *	get_npd_hbond_owner () const

NPDHBondInteractionGraph< V, E, G > *	get_npd_hbond_owner ()

Protected Member Functions inherited from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >
FirstClassNode< V, E, G > *	get_first_class_node () const

BackgroundNode< V, E, G > *	get_background_node () const

AdditionalBackgroundNodesInteractionGraph < V, E, G > *	get_owner () const

void	bgtfce_mark_edge_for_deletion ()

Private Member Functions
	NPDHBondBackgroundEdge ()

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

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

Private Attributes
bool	prepared_for_simA_

Size	bg_res_num_atoms_

int	nodes_curr_state_

int	nodes_alt_state_

Detailed Description

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

Defines an edge between a FirstClass (NPDHBondNode) and a background node (NPDHBondBackgroundNode)

In addition to implementing the virtual base class methods, this class additionally defines methods relating to keeping track of data relating to SASA/hpatch.

Member Typedef Documentation

template<typename V, typename E, typename G>

typedef BackgroundToFirstClassEdge< V, E, G > core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::parent

Constructor & Destructor Documentation

template<typename V , typename E , typename G >

core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::NPDHBondBackgroundEdge	(	AdditionalBackgroundNodesInteractionGraph< V, E, G > *	owner,
		int	first_class_node_index,
		int	background_node_index
	)

main constructor

template<typename V , typename E , typename G >

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

override

template<typename V, typename E, typename G>

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

private

template<typename V, typename E, typename G>

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

private

Member Function Documentation

template<typename V , typename E , typename G >

void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::acknowledge_state_zeroed ( Size node_seqpos )

respond to when one of its vertices enters the "unassigned" state.

called during the NPDHBIG::blanket_assign_state_0 -> NPDHBondNode::assign_zero_state() cascade of calls.

template<typename V , typename E , typename G >

void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::acknowledge_substitution ( bool update_hbonds )

bookkeeping in response to the NPDHBondNode committing the considered substitution

template<typename V , typename E , typename G >

void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::consider_alternate_state_step1	(	int	state_index,
		conformation::Residue const &	alt_state,
		utility::vector1< NPDHBondOP > &	res_hbonds,
		utility::vector1< utility::vector1< NPDHBondOP > > &	atom_hbonds,
		utility::vector1< char > &	hbonding_to_res
	)

template<typename V , typename E , typename G >

Real core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::consider_alternate_state_step2 ( utility::vector1< char > const & hbonding_to_res )

template<typename V , typename E , typename G >

unsigned int core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::count_dynamic_memory ( ) const

overridevirtual

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

Remarks: return 0 because no memory is dynamically allocated for these edges.

Reimplemented from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >.

template<typename V , typename E , typename G >

unsigned int core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::count_static_memory ( ) const

overridevirtual

Implements core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >.

template<typename V, typename E, typename G>

NPDHBondBackgroundNode< V, E, G > const* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_bg_node ( ) const

inlineprotected

References core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >::get_background_node().

template<typename V, typename E, typename G>

NPDHBondBackgroundNode< V, E, G >* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_bg_node ( )

inlineprotected

References core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >::get_background_node().

template<typename V, typename E, typename G>

NPDHBondNode< V, E, G > const* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_node ( ) const

inlineprotected

References core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >::get_first_class_node().

template<typename V, typename E, typename G>

NPDHBondNode< V, E, G >* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_node ( )

inlineprotected

References core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >::get_first_class_node().

template<typename V, typename E, typename G>

NPDHBondInteractionGraph< V, E, G > const* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_owner ( ) const

inlineprotected

References core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >::get_owner().

template<typename V, typename E, typename G>

NPDHBondInteractionGraph< V, E, G >* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_owner ( )

inlineprotected

References core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >::get_owner().

template<typename V, typename E, typename G>

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