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Rosetta
2021.16
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#include <DoubleLazyInteractionGraph.hh>

Public Member Functions | |
| DoubleLazyNode (InteractionGraphBase *owner, int node_id, int num_states) | |
| main constructor, no default or copy constructors More... | |
| ~DoubleLazyNode () override | |
| void | prepare_for_simulated_annealing () override |
| void | print () const override |
| bool | state_unassigned () const override |
| virtual core::PackerEnergy | get_totalE () const |
| void | assign_zero_state () override |
| void | assign_state (int new_state) |
| void | partial_assign_state (int new_state) |
| void | complete_state_assignment () |
| int | get_current_state () const |
| core::PackerEnergy | get_one_body_energy_current_state () const |
| core::PackerEnergy | project_deltaE_for_substitution (int alternate_state, core::PackerEnergy &prev_node_energy) |
| void | commit_considered_substitution () |
| core::PackerEnergy | compute_pair_energy_for_current_state (int edge_making_energy_request) |
| void | acknowledge_neighbors_state_substitution (int edge_to_altered_neighbor, core::PackerEnergy new_edge_energy, int other_node_new_state, SparseMatrixIndex const &other_node_new_state_sparse_info) |
| void | acknowledge_neighbors_partial_state_substitution (int edge_to_altered_neighbor, int other_node_new_, SparseMatrixIndex const &other_node_new_state_sparse_info) |
| SparseMatrixIndex const & | get_sparse_mat_info_for_curr_state () const |
| void | print_internal_energies () const |
| void | update_internal_energy_sums () |
| unsigned int | count_static_memory () const override |
| unsigned int | count_dynamic_memory () const override |
| memory accounting scheme More... | |
| virtual int | aatype_for_state (int state) const |
Public Member Functions inherited from core::pack::interaction_graph::OnTheFlyNode | |
| OnTheFlyNode (InteractionGraphBase *owner, int node_id, int num_states) | |
| main constructor, no default or copy constructors More... | |
| ~OnTheFlyNode () override | |
| void | set_rotamers (rotamer_set::RotamerSetCOP rotamers) |
| void | zero_one_body_energies () override |
| void | add_to_one_body_energies (ObjexxFCL::FArray1< core::PackerEnergy > &energy1b) override |
| void | update_one_body_energy (int state, core::PackerEnergy energy) override |
| virtual void | set_one_body_energy (int state, core::PackerEnergy energy) |
| void | add_to_one_body_energy (int state, core::PackerEnergy energy) override |
| virtual void | zero_one_body_energy (int state) |
| int | get_num_aa_types () const |
| utility::vector1< int > & | get_num_states_for_aa_types () |
| utility::vector1< int > const & | get_num_states_for_aa_types () const |
| int | get_num_states_for_aa_type (int aa_type) |
| SparseMatrixIndex const & | get_sparse_mat_info_for_state (int state) const |
| int | get_state_offset_for_aatype (int aatype) const |
| core::PackerEnergy | get_one_body_energy (int state) const |
| bool | distinguish_backbone_and_sidechain () const |
| void | distinguish_backbone_and_sidechain (bool setting) |
| unsigned int | count_dynamic_memory () const override |
| core::PackerEnergy | compute_rotamer_pair_energy (int edge_making_energy_request, int state_this, int state_other) const |
Public Member Functions inherited from core::pack::interaction_graph::FixedBBNode | |
| ~FixedBBNode () override | |
| FixedBBNode (InteractionGraphBase *owner, int node_id, int num_states) | |
Public Member Functions inherited from core::pack::interaction_graph::NodeBase | |
| virtual | ~NodeBase () |
| virtual destructor More... | |
| NodeBase (InteractionGraphBase *, int node_id, int num_states) | |
| Main constructor, no default constructor nor copy constructor. More... | |
| int | get_num_states () const |
| returns the number of states for this node More... | |
| std::list< EdgeBase * >::iterator | add_edge (EdgeBase *edge_ptr) |
| adds edge pointer to edge list; returns an iterator to the new list element More... | |
| void | drop_edge (std::list< EdgeBase * >::iterator edge_iterator) |
| removes an edge iterator from the node's edge list More... | |
| void | drop_all_edges () |
| deletes all edges incident upon this node More... | |
| EdgeBase * | find_edge (int other_node_index) const |
| a slow (linear) search for an edge. The edge is identified by the index of the node to which the edge connects this node. Returns NULL when there is no such connecting edge. More... | |
| void | depth_first_connected_component_counting () |
| performs a depth first traversal of the graph. Each node informs the graph that the traversal resulted in arriving at the node. More... | |
| std::list< EdgeBase * > ::const_iterator | edge_list_begin () |
| std::list< EdgeBase * > ::const_iterator | edge_list_end () |
| int | get_node_index () const |
| int | get_num_incident_edges () const |
| int | get_num_edges_to_smaller_indexed_nodes () const |
| int | get_num_edges_to_larger_indexed_nodes () const |
| EdgeBase const * | get_incident_edge (int index) const |
| These functions are public for the sake of writing good unit tests. More... | |
| EdgeBase * | get_incident_edge (int index) |
| int | get_index_of_adjacent_node (int index) const |
| NodeBase const * | get_adjacent_node (int index) const |
| NodeBase * | get_adjacent_node (int index) |
Private Member Functions | |
| void | update_internal_vectors () |
| DoubleLazyEdge const * | get_incident_dlazy_edge (int index) const |
| Pointer Downcasts. More... | |
| DoubleLazyEdge * | get_incident_dlazy_edge (int index) |
| DoubleLazyNode const * | get_adjacent_dlazy_node (int index) const |
| DoubleLazyNode * | get_adjacent_dlazy_node (int index) |
| DoubleLazyInteractionGraph const * | get_dlazy_ig_owner () const |
| DoubleLazyInteractionGraph * | get_dlazy_ig_owner () |
| DoubleLazyNode () | |
| DoubleLazyNode (DoubleLazyNode const &) | |
| DoubleLazyNode & | operator= (DoubleLazyNode const &) |
Additional Inherited Members | |
Public Types inherited from core::pack::interaction_graph::OnTheFlyNode | |
| typedef std::pair< Vector, Real > | BoundingSphere |
| core::pack::interaction_graph::DoubleLazyNode::DoubleLazyNode | ( | InteractionGraphBase * | owner, |
| int | node_id, | ||
| int | num_states | ||
| ) |
main constructor, no default or copy constructors
| par Global Read: |
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Referenced by count_static_memory().
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| void core::pack::interaction_graph::DoubleLazyNode::acknowledge_neighbors_partial_state_substitution | ( | int | edge_to_altered_neighbor, |
| int | other_node_new_state, | ||
| SparseMatrixIndex const & | other_node_new_state_sparse_info | ||
| ) |
| par Global Read: |
References curr_state_total_energy_, curr_state_two_body_energies_, neighbors_curr_state_, and neighbors_curr_state_sparse_info_.
Referenced by core::pack::interaction_graph::DoubleLazyEdge::acknowledge_partial_state_change().
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| par Global Read: |
References curr_state_total_energy_, curr_state_two_body_energies_, neighbors_curr_state_, and neighbors_curr_state_sparse_info_.
Referenced by core::pack::interaction_graph::DoubleLazyEdge::acknowledge_state_change(), core::pack::interaction_graph::DoubleLazyEdge::acknowledge_state_zeroed(), and core::pack::interaction_graph::DoubleLazyEdge::acknowledge_substitution().
| void core::pack::interaction_graph::DoubleLazyNode::assign_state | ( | int | new_state | ) |
| par Global Read: |
References core::pack::interaction_graph::DoubleLazyEdge::acknowledge_state_change(), alternate_state_is_being_considered_, assign_zero_state(), curr_state_one_body_energy_, curr_state_sparse_mat_info_, curr_state_total_energy_, curr_state_two_body_energies_, current_state_, get_incident_dlazy_edge(), core::pack::interaction_graph::NodeBase::get_node_index(), core::pack::interaction_graph::NodeBase::get_num_incident_edges(), core::pack::interaction_graph::NodeBase::get_num_states(), core::pack::interaction_graph::OnTheFlyNode::get_one_body_energy(), and core::pack::interaction_graph::OnTheFlyNode::get_sparse_mat_info_for_state().
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::set_state_for_node().
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| par Global Read: |
Implements core::pack::interaction_graph::NodeBase.
References core::pack::interaction_graph::DoubleLazyEdge::acknowledge_state_zeroed(), alternate_state_, alternate_state_is_being_considered_, curr_state_one_body_energy_, curr_state_total_energy_, curr_state_two_body_energies_, current_state_, get_incident_dlazy_edge(), core::pack::interaction_graph::NodeBase::get_node_index(), and core::pack::interaction_graph::NodeBase::get_num_incident_edges().
Referenced by assign_state(), core::pack::interaction_graph::DoubleLazyInteractionGraph::blanket_assign_state_0(), and partial_assign_state().
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References project_deltaE_for_substitution().
| void core::pack::interaction_graph::DoubleLazyNode::commit_considered_substitution | ( | ) |
| par Global Read: |
References core::pack::interaction_graph::DoubleLazyEdge::acknowledge_substitution(), alt_state_sparse_mat_info_, alternate_state_, alternate_state_is_being_considered_, alternate_state_one_body_energy_, alternate_state_total_energy_, alternate_state_two_body_energies_, curr_state_one_body_energy_, curr_state_sparse_mat_info_, curr_state_total_energy_, curr_state_two_body_energies_, current_state_, get_incident_dlazy_edge(), core::pack::interaction_graph::NodeBase::get_node_index(), and core::pack::interaction_graph::NodeBase::get_num_incident_edges().
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::commit_considered_substitution().
| void core::pack::interaction_graph::DoubleLazyNode::complete_state_assignment | ( | ) |
| par Global Read: |
References curr_state_one_body_energy_, curr_state_total_energy_, curr_state_two_body_energies_, current_state_, get_incident_dlazy_edge(), core::pack::interaction_graph::NodeBase::get_num_incident_edges(), and core::pack::interaction_graph::OnTheFlyNode::get_one_body_energy().
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::set_network_state().
| core::PackerEnergy core::pack::interaction_graph::DoubleLazyNode::compute_pair_energy_for_current_state | ( | int | edge_making_energy_request | ) |
| par Global Read: |
References core::pack::interaction_graph::OnTheFlyNode::compute_rotamer_pair_energy(), current_state_, and neighbors_curr_state_.
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References alternate_state_is_being_considered_.
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memory accounting scheme
Reimplemented from core::pack::interaction_graph::NodeBase.
References alternate_state_two_body_energies_, core::pack::interaction_graph::OnTheFlyNode::count_dynamic_memory(), curr_state_two_body_energies_, neighbors_curr_state_, and neighbors_curr_state_sparse_info_.
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| par Global Read: |
Implements core::pack::interaction_graph::OnTheFlyNode.
References DoubleLazyNode().
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References alternate_state_total_energy_.
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References alternate_state_.
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References curr_state_total_energy_.
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References current_state_.
Referenced by core::pack::interaction_graph::DoubleLazyEdge::acknowledge_state_change(), core::pack::interaction_graph::DoubleLazyEdge::get_energy_following_partial_state_assignment(), and core::pack::interaction_graph::DoubleLazyInteractionGraph::print_current_state_assignment().
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Pointer Downcasts.
References core::pack::interaction_graph::NodeBase::get_incident_edge().
Referenced by assign_state(), assign_zero_state(), commit_considered_substitution(), complete_state_assignment(), partial_assign_state(), and update_internal_energy_sums().
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| par Global Read: |
References current_state_, and core::pack::interaction_graph::OnTheFlyNode::get_sparse_mat_info_for_state().
Referenced by core::pack::interaction_graph::DoubleLazyEdge::get_energy_following_partial_state_assignment().
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References curr_state_total_energy_.
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| void core::pack::interaction_graph::DoubleLazyNode::partial_assign_state | ( | int | new_state | ) |
| par Global Read: |
References core::pack::interaction_graph::DoubleLazyEdge::acknowledge_partial_state_change(), alternate_state_is_being_considered_, assign_zero_state(), curr_state_sparse_mat_info_, current_state_, get_incident_dlazy_edge(), core::pack::interaction_graph::NodeBase::get_node_index(), core::pack::interaction_graph::NodeBase::get_num_incident_edges(), and core::pack::interaction_graph::OnTheFlyNode::get_sparse_mat_info_for_state().
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::set_network_state().
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Implements core::pack::interaction_graph::NodeBase.
References alternate_state_is_being_considered_, alternate_state_one_body_energy_, alternate_state_two_body_energies_, curr_state_one_body_energy_, curr_state_sparse_mat_info_, curr_state_two_body_energies_, current_state_, core::pack::interaction_graph::SparseMatrixIndex::get_aa_type(), core::pack::interaction_graph::NodeBase::get_index_of_adjacent_node(), core::pack::interaction_graph::NodeBase::get_node_index(), core::pack::interaction_graph::NodeBase::get_num_incident_edges(), core::pack::interaction_graph::NodeBase::get_num_states(), and core::pack::interaction_graph::SparseMatrixIndex::get_state_ind_for_this_aa_type().
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::print_current_state_assignment().
| void core::pack::interaction_graph::DoubleLazyNode::print_internal_energies | ( | ) | const |
| par Global Read: |
References curr_state_one_body_energy_, curr_state_sparse_mat_info_, curr_state_total_energy_, curr_state_two_body_energies_, current_state_, core::pack::interaction_graph::SparseMatrixIndex::get_aa_type(), core::pack::interaction_graph::NodeBase::get_num_incident_edges(), and core::pack::interaction_graph::SparseMatrixIndex::get_state_ind_for_this_aa_type().
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References alternate_state_.
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Implements core::pack::interaction_graph::NodeBase.
References current_state_.
| void core::pack::interaction_graph::DoubleLazyNode::update_internal_energy_sums | ( | ) |
| par Global Read: |
References curr_state_one_body_energy_, curr_state_total_energy_, core::pack::interaction_graph::DoubleLazyEdge::get_current_two_body_energy(), core::pack::interaction_graph::NodeBase::get_edge_vector_up_to_date(), get_incident_dlazy_edge(), and core::pack::interaction_graph::NodeBase::get_num_incident_edges().
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References alternate_state_two_body_energies_, curr_state_two_body_energies_, core::pack::interaction_graph::NodeBase::get_num_incident_edges(), neighbors_curr_state_, neighbors_curr_state_sparse_info_, and core::pack::interaction_graph::NodeBase::update_edge_vector().
Referenced by prepare_for_simulated_annealing().
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Referenced by commit_considered_substitution().
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Referenced by assign_zero_state(), commit_considered_substitution(), get_alternate_state(), and set_alternate_state().
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Referenced by commit_considered_substitution(), and print().
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Referenced by commit_considered_substitution(), and get_alt_pd_energy_total().
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Referenced by commit_considered_substitution(), count_dynamic_memory(), print(), and update_internal_vectors().
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Referenced by assign_state(), commit_considered_substitution(), partial_assign_state(), print(), and print_internal_energies().
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Referenced by acknowledge_neighbors_partial_state_substitution(), acknowledge_neighbors_state_substitution(), assign_state(), assign_zero_state(), commit_considered_substitution(), complete_state_assignment(), get_curr_pd_energy_total(), get_totalE(), print_internal_energies(), and update_internal_energy_sums().
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Referenced by acknowledge_neighbors_partial_state_substitution(), acknowledge_neighbors_state_substitution(), assign_state(), assign_zero_state(), commit_considered_substitution(), complete_state_assignment(), count_dynamic_memory(), print(), print_internal_energies(), and update_internal_vectors().
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1.8.7