core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G > Class Template Reference

Defines an edge between a FirstClass (HPatchNode) and a background node (HPatchBackgroundNode) More...

#include <HPatchInteractionGraph.hh>

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

Collaboration diagram for core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >:

List of all members.

Public Types
typedef BackgroundToFirstClassEdge< V, E, G >	parent
Public Member Functions
	HPatchBackgroundEdge (AdditionalBackgroundNodesInteractionGraph< V, E, G > *owner, int first_class_node_index, int background_node_index)
	main constructor
virtual	~HPatchBackgroundEdge ()
void	prepare_for_simulated_annealing ()
	Invoked by AdditionalBackgroundNodesInteractionGraph::prepare_for_simulated_annealing.
void	initialize_overlap_cache (RotamerDots const &bg_residue)
	compute the sphere overlaps of the background node with every state on the first class node. The HPatchBackgroundEdge hands its stl vector of RotamerDotsCache objects (node_states_coverage_of_bg_res) to the HPatchNode
void	acknowledge_state_change (int new_state)
	bookkeeping in response to a HPatchNode switching states (without having gone through the usual consider-substitution/commit-substitution pattern).
Real	update_state_at_neighbor (int alt_state)
	returns the change in hpatch energy produced by a background node in response to a considered state substitution of the first class node
void	acknowledge_substitution ()
	bookkeeping in response to the HPatchNode committing the considered substitution
utility::vector1 < utility::vector1< bool > > const &	get_atom_atom_overlaps_for_state (Size state) const
	Returns a const reference to the atom-x-atom-pair vector-of-vectors of bools that specifies which atoms are overlapping, assuming the alternate state assignment.
virtual unsigned int	count_static_memory () const
virtual unsigned int	count_dynamic_memory () const
Protected Member Functions
HPatchNode< V, E, G > *	get_hpatch_node () const
HPatchBackgroundNode< V, E, G > *	get_hpatch_bg_node () const

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Detailed Description

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

Defines an edge between a FirstClass (HPatchNode) and a background node (HPatchBackgroundNode)

HPatchBackgroundEdge

Detailed:

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

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Member Typedef Documentation

template<typename V, typename E, typename G>

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

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Constructor & Destructor Documentation

template<typename V , typename E , typename G >

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

main constructor

HPatchBackgroundEdge< V, E, G >::HPatchBackgroundEdge

template<typename V , typename E , typename G >

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

(

)

[virtual]

HPatchBackgroundEdge::~HPatchBackgroundEdge

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Member Function Documentation

template<typename V , typename E , typename G >

void core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::acknowledge_state_change

(

int

new_state

)

bookkeeping in response to a HPatchNode switching states (without having gone through the usual consider-substitution/commit-substitution pattern).

HPatchBackgroundEdge::acknowledge_state_change

Detailed:

State "0" is handled by the HPatchBackgroundEdge just like any other state. The dot overlap cache is simply empty: the unassigned state induces no overlap on the background node. The HPatchBackgroundEdge keeps a stl vector of RotamerDotCaches. Position 0 in that vector holds a Cache object of nothing but 0's.

template<typename V , typename E , typename G >

void core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::acknowledge_substitution

(

)

bookkeeping in response to the HPatchNode committing the considered substitution

HPatchBackgroundEdge::acknowledge_substitution

template<typename V , typename E , typename G >

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

(

)

const [virtual]

HPatchBackgroundEdge::count_dynamic_memory

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

template<typename V , typename E , typename G >

unsigned int core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::count_static_memory

(

)

const [virtual]

HPatchBackgroundEdge::count_static_memory

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

template<typename V , typename E , typename G >

utility::vector1< utility::vector1< bool > > const & core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::get_atom_atom_overlaps_for_state

(

Size

state

)

const

Returns a const reference to the atom-x-atom-pair vector-of-vectors of bools that specifies which atoms are overlapping, assuming the alternate state assignment.

HPatchBackgroundEdge< V, E, G >::get_atom_atom_self_overlaps_for_state

template<typename V, typename E, typename G>

HPatchBackgroundNode< V, E, G >* core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::get_hpatch_bg_node

(

)

const [inline, protected]

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

template<typename V, typename E, typename G>

HPatchNode< V, E, G >* core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::get_hpatch_node

(

)

const [inline, protected]

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

template<typename V , typename E , typename G >

void core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::initialize_overlap_cache

(

RotamerDots const &

bg_residue_dots

)

compute the sphere overlaps of the background node with every state on the first class node. The HPatchBackgroundEdge hands its stl vector of RotamerDotsCache objects (node_states_coverage_of_bg_res) to the HPatchNode

HPatchBackgroundEdge::initialize_overlap_cache

Called during the prep for simA method in HPatchBGNodes. This method in turn calls a HPatchNode method, init_overlap_with_background to set the vector of RDC object pointers.

References core::pack::interaction_graph::RotamerDots::get_num_atoms().

template<typename V , typename E , typename G >

void core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::prepare_for_simulated_annealing

(

)

[virtual]

Invoked by AdditionalBackgroundNodesInteractionGraph::prepare_for_simulated_annealing.

HPatchBackgroundEdge::prepare_for_simulated_annealing

Remarks:

The HPatchBackgroundEdge has no responsibilities in this function. However, when the AdditionalBackgroundNodesInteractionGraph invokes prepare_for_simulated_annealing on the HPatchBackgroundNode that this edge is incident upon, that node will invoke initialize_overlap_cache on this edge.

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

template<typename V , typename E , typename G >

Real core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::update_state_at_neighbor

(

int

alt_state

)

returns the change in hpatch energy produced by a background node in response to a considered state substitution of the first class node

HPatchBackgroundEdge::update_state_at_neighbor

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

• src/core/pack/interaction_graph/HPatchInteractionGraph.hh