Rosetta 3.4
Public Types | Public Member Functions
core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G > Class Template Reference

Defines an edge between a FirstClass (SurfaceNode) and a background node (SurfaceBackgroundNode) More...

#include <SurfaceInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >:
Inheritance graph
[legend]
Collaboration diagram for core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >:
Collaboration graph
[legend]

List of all members.

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

Detailed Description

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

Defines an edge between a FirstClass (SurfaceNode) and a background node (SurfaceBackgroundNode)

SurfaceBackgroundEdge

Detailed:
In addition to implementing the virtual base class methods, this class additionally defines methods relating to keeping track of data relating to surface.

Member Typedef Documentation

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

Constructor & Destructor Documentation

template<typename V , typename E , typename G >
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

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

Member Function Documentation

template<typename V , typename E , typename G >
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

Parameters:
new_state- [in] - the state the SurfaceNode switched to
template<typename V , typename E , typename G >
void core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::acknowledge_substitution_surface ( )

bookkeeping in response to the SurfaceNode committing the considered substitution

SurfaceBackgroundEdge::acknowledge_substitution_surface

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

SurfaceBackgroundEdge::get_max_surface_deltaE_guess

template<typename V, typename E, typename G>
SurfaceBackgroundNode< V, E, G >* core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::get_surface_bg_node ( ) const [inline]
template<typename V , typename E , typename G >
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

Detailed:
Need to tell the bg node that's not changing that the fc node is considering a change and what the alternate state it might change to is. Then that node can recompute it's change in se hp nb total hASA and return a change in score. Called once by acknowledge_state_change method in this class when blanket setting the state of all the nodes to zero during initialization.
Parameters:
alt_state- [in] - the alternate state (i.e. rotamer id) that the first class node is considering
template<typename V, typename E, typename G>
SurfaceNode< V, E, G >* core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::get_surface_node ( ) const [inline]
template<typename V , typename E , typename G >
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

Remarks:
The SurfaceBackgroundEdge has no responsibilities in this function. However, when the AdditionalBackgroundNodesInteractionGraph invokes prepare_for_simulated_annealing on the SurfaceBackgroundNode 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>
void core::pack::interaction_graph::SurfaceBackgroundEdge< V, E, G >::set_max_surface_deltaE ( ) [inline]

The documentation for this class was generated from the following file:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines