Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
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>

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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

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.

Member Typedef Documentation

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

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 
)
template<typename V , typename E , typename G >
core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::~HPatchBackgroundEdge ( ) [virtual]

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]
template<typename V , typename E , typename G >
unsigned int core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >::count_static_memory ( ) const [virtual]
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]
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]
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


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