Rosetta 3.4
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Defines an edge between a FirstClass (SurfaceNode) and a background node (SurfaceBackgroundNode) More...
#include <SurfaceInteractionGraph.hh>
Public Types | |
typedef BackgroundToFirstClassEdge< V, E, G > | parent |
Public Member Functions | |
SurfaceBackgroundEdge (AdditionalBackgroundNodesInteractionGraph< V, E, G > *owner, int first_class_node_index, int background_node_index) | |
main constructor | |
virtual | ~SurfaceBackgroundEdge () |
void | prepare_for_simulated_annealing () |
Invoked by AdditionalBackgroundNodesInteractionGraph::prepare_for_simulated_annealing. | |
Real | get_surface_deltaE_for_substitution (int alt_state) |
returns the change in surface energy produced by a background node in response to a considered state substitution of the first class node | |
void | acknowledge_substitution_surface () |
bookkeeping in response to the SurfaceNode committing the considered substitution | |
void | acknowledge_state_change (int new_state) |
bookkeeping in response to a SurfaceNode switching states (without having gone through the usual consider-substitution/commit-substitution pattern). | |
Real | get_max_surface_deltaE_guess () const |
Returns the value of max_surface_deltaE_last_50_commits_. | |
virtual unsigned int | count_static_memory () const |
virtual unsigned int | count_dynamic_memory () const |
void | set_max_surface_deltaE () |
SurfaceNode< V, E, G > * | get_surface_node () const |
SurfaceBackgroundNode< V, E, G > * | get_surface_bg_node () const |
Defines an edge between a FirstClass (SurfaceNode) and a background node (SurfaceBackgroundNode)
typedef BackgroundToFirstClassEdge< V, E, G > core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::parent |
core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::SurfaceBackgroundEdge | ( | AdditionalBackgroundNodesInteractionGraph< V, E, G > * | owner, |
int | first_class_node_index, | ||
int | background_node_index | ||
) |
main constructor
SurfaceBackgroundEdge< V, E, G >::SurfaceBackgroundEdge
owner | - [in] - the owning graph first_class_node_index - [in] - the index of the first class node upon which this new edge is incident second_class_node_index - [in] - the index of the second class node upon which this new edge is incident |
core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::~SurfaceBackgroundEdge | ( | ) | [virtual] |
void core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::acknowledge_state_change | ( | int | new_state | ) |
bookkeeping in response to a SurfaceNode switching states (without having gone through the usual consider-substitution/commit-substitution pattern).
SurfaceBackgroundEdge::acknowledge_state_change
new_state | - [in] - the state the SurfaceNode switched to |
void core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::acknowledge_substitution_surface | ( | ) |
bookkeeping in response to the SurfaceNode committing the considered substitution
unsigned int core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::count_dynamic_memory | ( | ) | const [virtual] |
unsigned int core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::count_static_memory | ( | ) | const [virtual] |
Real core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::get_max_surface_deltaE_guess | ( | ) | const |
Returns the value of max_surface_deltaE_last_50_commits_.
SurfaceBackgroundNode< V, E, G >* core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::get_surface_bg_node | ( | ) | const [inline] |
Real core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::get_surface_deltaE_for_substitution | ( | int | alt_state | ) |
returns the change in surface energy produced by a background node in response to a considered state substitution of the first class node
SurfaceBackgroundEdge::get_surface_deltaE_for_substitution
alt_state | - [in] - the alternate state (i.e. rotamer id) that the first class node is considering |
SurfaceNode< V, E, G >* core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::get_surface_node | ( | ) | const [inline] |
void core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::prepare_for_simulated_annealing | ( | ) | [virtual] |
Invoked by AdditionalBackgroundNodesInteractionGraph::prepare_for_simulated_annealing.
SurfaceBackgroundEdge::prepare_for_simulated_annealing
Implements core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >.
void core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::set_max_surface_deltaE | ( | ) | [inline] |