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core::pack::interaction_graph::MultiplexedAnnealableGraph Class Reference

#include <MultiplexedAnnealableGraph.hh>

Inheritance diagram for core::pack::interaction_graph::MultiplexedAnnealableGraph:
Inheritance graph
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Public Member Functions

 MultiplexedAnnealableGraph ()
 Default constructor. More...
 
 MultiplexedAnnealableGraph (MultiplexedAnnealableGraph const &other)
 Copy constructor. More...
 
 MultiplexedAnnealableGraph (SubgraphContainer const &target_subgraphs)
 Setup constructor. More...
 
 ~MultiplexedAnnealableGraph () override
 Destructor. More...
 
int get_num_nodes () const override
 Get the number of nodes in the graph. More...
 
int get_num_states_for_node (int node) const override
 Get the number of states for a given node. More...
 
int get_num_total_states () const override
 Get the total number of states for all nodes in the graph. More...
 
void prepare_graph_for_simulated_annealing () override
 Utility signal. More...
 
void blanket_assign_state_0 () override
 State initialization. Set all nodes to state zero. More...
 
bool any_vertex_state_unassigned () const override
 Are any states unassigned? More...
 
core::PackerEnergy set_state_for_node (int node_ind, int new_state) override
 Explicit state modification: set node "node_ind" to state "new_state". More...
 
core::PackerEnergy set_network_state (ObjexxFCL::FArray1_int &node_states) override
 Set the states for the entire network. More...
 
void consider_substitution (int node_ind, int new_state, core::PackerEnergy &delta_energy, core::PackerEnergy &prev_energy_for_node) override
 Consider a change in state at a particular node. More...
 
core::PackerEnergy commit_considered_substitution () override
 Accept the considered substitution. More...
 
core::PackerEnergy get_energy_current_state_assignment () override
 Get the total energy from the current states of the nodes in the network. More...
 
void set_errorfull_deltaE_threshold (core::PackerEnergy deltaE) override
 Set error threshold. More...
 
void clean_up_after_packing (core::pose::Pose &pose) override
 Provide the opportunity for an AnnealableGraph to clean up cached data in the pose or inside itself after packing. More...
 
- Public Member Functions inherited from core::pack::interaction_graph::AnnealableGraphBase
 AnnealableGraphBase ()
 Constructor. More...
 
 AnnealableGraphBase (AnnealableGraphBase const &src)
 Copy constructor. More...
 
 ~AnnealableGraphBase () override
 Destructor. More...
 

Public Attributes

SubgraphContainer subgraphs
 Container accessor. More...
 

Private Types

typedef std::list
< AnnealableGraphBaseOP
SubgraphContainer
 
typedef SubgraphContainer::iterator iterator
 
typedef
SubgraphContainer::const_iterator 
const_iterator
 

Member Typedef Documentation

typedef SubgraphContainer::const_iterator core::pack::interaction_graph::MultiplexedAnnealableGraph::const_iterator
private
typedef SubgraphContainer::iterator core::pack::interaction_graph::MultiplexedAnnealableGraph::iterator
private

Constructor & Destructor Documentation

core::pack::interaction_graph::MultiplexedAnnealableGraph::MultiplexedAnnealableGraph ( )

Default constructor.

core::pack::interaction_graph::MultiplexedAnnealableGraph::MultiplexedAnnealableGraph ( MultiplexedAnnealableGraph const &  other)
default

Copy constructor.

core::pack::interaction_graph::MultiplexedAnnealableGraph::MultiplexedAnnealableGraph ( SubgraphContainer const &  target_subgraphs)

Setup constructor.

core::pack::interaction_graph::MultiplexedAnnealableGraph::~MultiplexedAnnealableGraph ( )
overridedefault

Destructor.

Member Function Documentation

bool core::pack::interaction_graph::MultiplexedAnnealableGraph::any_vertex_state_unassigned ( ) const
overridevirtual

Are any states unassigned?

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

void core::pack::interaction_graph::MultiplexedAnnealableGraph::blanket_assign_state_0 ( )
overridevirtual

State initialization. Set all nodes to state zero.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

void core::pack::interaction_graph::MultiplexedAnnealableGraph::clean_up_after_packing ( core::pose::Pose pose)
overridevirtual

Provide the opportunity for an AnnealableGraph to clean up cached data in the pose or inside itself after packing.

This version calls contained AnnealableGraph clean_up_after_packing() methods.

Author
Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

Reimplemented from core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

core::PackerEnergy core::pack::interaction_graph::MultiplexedAnnealableGraph::commit_considered_substitution ( )
overridevirtual

Accept the considered substitution.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

void core::pack::interaction_graph::MultiplexedAnnealableGraph::consider_substitution ( int  node_ind,
int  new_state,
core::PackerEnergy delta_energy,
core::PackerEnergy prev_energy_for_node 
)
overridevirtual

Consider a change in state at a particular node.

Parameters
[in]node_indThe node index.
[in]new_stateThe index of the state to which we're considering setting the node.
[out]delta_energyThe computed change in energy that would result from the substitution.
[out]prev_energy_for_stateThe energy prior to the substituion, returned by this function.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

core::PackerEnergy core::pack::interaction_graph::MultiplexedAnnealableGraph::get_energy_current_state_assignment ( )
overridevirtual

Get the total energy from the current states of the nodes in the network.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

int core::pack::interaction_graph::MultiplexedAnnealableGraph::get_num_nodes ( ) const
overridevirtual

Get the number of nodes in the graph.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

int core::pack::interaction_graph::MultiplexedAnnealableGraph::get_num_states_for_node ( int  node) const
overridevirtual

Get the number of states for a given node.

Parameters
[in]nodeThe index of the node.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

int core::pack::interaction_graph::MultiplexedAnnealableGraph::get_num_total_states ( ) const
overridevirtual

Get the total number of states for all nodes in the graph.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

void core::pack::interaction_graph::MultiplexedAnnealableGraph::prepare_graph_for_simulated_annealing ( )
overridevirtual

Utility signal.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

void core::pack::interaction_graph::MultiplexedAnnealableGraph::set_errorfull_deltaE_threshold ( core::PackerEnergy  deltaE)
overridevirtual

Set error threshold.

Parameters
[in]deltaEError threshold value to set.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

core::PackerEnergy core::pack::interaction_graph::MultiplexedAnnealableGraph::set_network_state ( ObjexxFCL::FArray1_int &  node_states)
overridevirtual

Set the states for the entire network.

Parameters
[in]node_statesA Fortran-style 1-array of state indices for all nodes in the network.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

core::PackerEnergy core::pack::interaction_graph::MultiplexedAnnealableGraph::set_state_for_node ( int  node_ind,
int  new_state 
)
overridevirtual

Explicit state modification: set node "node_ind" to state "new_state".

Parameters
[in]node_indThe index of the node.
[in]new_stateThe index of the state to which we're setting the node.

Implements core::pack::interaction_graph::AnnealableGraphBase.

References subgraphs.

Member Data Documentation

SubgraphContainer core::pack::interaction_graph::MultiplexedAnnealableGraph::subgraphs

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