Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph Class Reference

#include <MinimalistFlexbbInteractionGraph.hh>

Inheritance diagram for protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph:
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Collaboration diagram for protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph:
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List of all members.

Public Types

typedef OTFFlexbbInteractionGraph parent

Public Member Functions

 MinimalistFlexbbInteractionGraph (int num_nodes)
 GRAPH.
virtual ~MinimalistFlexbbInteractionGraph ()
virtual void initialize (core::pack::rotamer_set::RotamerSetsBase const &rot_sets)
 Virtual functions from InteractionGraphBase.
virtual PackerEnergy get_one_body_energy_for_node_state (int node, int state)
virtual void blanket_assign_state_0 ()
virtual PackerEnergy set_state_for_node (int node_ind, int new_state)
virtual PackerEnergy set_network_state (ObjexxFCL::FArray1_int &node_states)
 takes in a vector of states, one state per node, and sets the state for each of the nodes to the specified state.
virtual void consider_substitution (int node_ind, int new_state, PackerEnergy &delta_energy, PackerEnergy &prev_energy_for_node)
virtual PackerEnergy commit_considered_substitution ()
virtual PackerEnergy get_energy_current_state_assignment ()
virtual int get_edge_memory_usage () const
virtual void print_current_state_assignment () const
virtual void set_errorfull_deltaE_threshold (PackerEnergy deltaE)
virtual PackerEnergy get_energy_sum_for_vertex_group (int group_id)
virtual void consider_backbone_move (int bb_id, core::PackerEnergy &delta_energy, core::PackerEnergy &prev_flexseg_energy, bool &valid_motion, int &num_nodes_changing_state)
 Virtual functions from FlexbbInteractionGraph.
virtual void consider_bbmove_w_state_substitution (int node_ind, int new_state, core::PackerEnergy &delta_energy, core::PackerEnergy &prev_energy_for_flexseg, bool &valid_motion, int &num_nodes_changing_state)

Protected Member Functions

void complete_deltaE_prediction_for_bbmove (core::PackerEnergy &delta_energy, core::PackerEnergy &prev_energy_for_flexseg, bool &valid_motion, int &num_nodes_changing_state)
MinimalistFlexbbNode const * get_minimalistflexbb_node (int index) const
 Downcasts.
MinimalistFlexbbNodeget_minimalistflexbb_node (int index)
MinimalistFlexbbEdge const * find_minimalist_flexbb_edge (int node1, int node2) const
MinimalistFlexbbEdgefind_minimalist_flexbb_edge (int node1, int node2)
MinimalistFlexbbEdge const * cast_minimalist_flexbb_edge (EdgeBase const *edge) const
MinimalistFlexbbEdgecast_minimalist_flexbb_edge (EdgeBase *edge)
virtual unsigned int count_static_memory () const
 Virtual functions from InteractionGraphBase.
virtual unsigned int count_dynamic_memory () const
virtual
core::pack::interaction_graph::NodeBase
create_new_node (int node_index, int num_states)
virtual
core::pack::interaction_graph::EdgeBase
create_new_edge (int index1, int index2)
void resolve_uncommitted_substitution ()

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::MinimalistFlexbbInteractionGraph ( int  num_nodes)

GRAPH.

Referenced by count_static_memory().

protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::~MinimalistFlexbbInteractionGraph ( ) [virtual]

Member Function Documentation

void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::blanket_assign_state_0 ( ) [virtual]
MinimalistFlexbbEdge const * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::cast_minimalist_flexbb_edge ( EdgeBase const *  edge) const [inline, protected]
MinimalistFlexbbEdge * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::cast_minimalist_flexbb_edge ( EdgeBase edge) [inline, protected]
MinimalistFlexbbInteractionGraph::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::commit_considered_substitution ( ) [virtual]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::complete_deltaE_prediction_for_bbmove ( core::PackerEnergy delta_energy,
core::PackerEnergy prev_energy_for_flexseg,
bool valid_motion,
int num_nodes_changing_state 
) [protected]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::consider_backbone_move ( int  bb_id,
core::PackerEnergy delta_energy,
core::PackerEnergy prev_flexseg_energy,
bool valid_motion,
int num_nodes_changing_state 
) [virtual]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::consider_bbmove_w_state_substitution ( int  node_ind,
int  new_state,
core::PackerEnergy delta_energy,
core::PackerEnergy prev_energy_for_flexseg,
bool valid_motion,
int num_nodes_changing_state 
) [virtual]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::consider_substitution ( int  node_ind,
int  new_state,
PackerEnergy delta_energy,
PackerEnergy prev_energy_for_node 
) [virtual]
unsigned int protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::count_dynamic_memory ( ) const [protected, virtual]
unsigned int protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::count_static_memory ( ) const [protected, virtual]

Virtual functions from InteractionGraphBase.

Implements core::pack::interaction_graph::InteractionGraphBase.

References MinimalistFlexbbInteractionGraph().

core::pack::interaction_graph::EdgeBase * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::create_new_edge ( int  index1,
int  index2 
) [protected, virtual]
core::pack::interaction_graph::NodeBase * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::create_new_node ( int  node_index,
int  num_states 
) [protected, virtual]
MinimalistFlexbbEdge * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::find_minimalist_flexbb_edge ( int  node1,
int  node2 
) [inline, protected]
MinimalistFlexbbEdge const * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::find_minimalist_flexbb_edge ( int  node1,
int  node2 
) const [inline, protected]
int protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_edge_memory_usage ( ) const [virtual]
MinimalistFlexbbInteractionGraph::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_energy_current_state_assignment ( ) [virtual]
MinimalistFlexbbInteractionGraph::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_energy_sum_for_vertex_group ( int  group_id) [virtual]
MinimalistFlexbbNode const * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_minimalistflexbb_node ( int  index) const [inline, protected]
MinimalistFlexbbNode * protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_minimalistflexbb_node ( int  index) [inline, protected]
MinimalistFlexbbInteractionGraph::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_one_body_energy_for_node_state ( int  node,
int  state 
) [virtual]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::initialize ( core::pack::rotamer_set::RotamerSetsBase const &  rot_sets) [virtual]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::print_current_state_assignment ( ) const [virtual]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::resolve_uncommitted_substitution ( ) [protected]
void protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::set_errorfull_deltaE_threshold ( PackerEnergy  deltaE) [virtual]

noop. This IG does not allow for inaccuracies in its energy function.

Implements core::pack::interaction_graph::InteractionGraphBase.

MinimalistFlexbbInteractionGraph::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::set_network_state ( ObjexxFCL::FArray1_int &  node_states) [virtual]

takes in a vector of states, one state per node, and sets the state for each of the nodes to the specified state.

also calls "update internal energy totals" to undo any numerical noise accumulated during the transition.

Parameters:
node_states- [in] - array of states, one for each node.

Implements core::pack::interaction_graph::InteractionGraphBase.

References core::pack::interaction_graph::DensePDInteractionGraph::get_dpd_node(), core::pack::interaction_graph::InteractionGraphBase::get_num_nodes(), and core::pack::interaction_graph::DensePDInteractionGraph::update_internal_energy_totals().

MinimalistFlexbbInteractionGraph::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::set_state_for_node ( int  node_ind,
int  new_state 
) [virtual]

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