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Rosetta 3.5
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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... | |
| virtual | ~DoubleLazyNode () |
| virtual void | prepare_for_simulated_annealing () |
| virtual void | print () const |
| virtual bool | state_unassigned () const |
| virtual core::PackerEnergy | get_totalE () const |
| void | assign_zero_state () |
| 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 () |
| virtual unsigned int | count_static_memory () const |
| virtual unsigned int | count_dynamic_memory () const |
| 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... | |
| virtual | ~OnTheFlyNode () |
| void | set_rotamers (rotamer_set::RotamerSetCOP rotamers) |
| virtual void | zero_one_body_energies () |
| virtual void | add_to_one_body_energies (ObjexxFCL::FArray1< core::PackerEnergy > &energy1b) |
| virtual void | update_one_body_energy (int state, core::PackerEnergy energy) |
| virtual void | set_one_body_energy (int state, core::PackerEnergy energy) |
| virtual void | add_to_one_body_energy (int state, core::PackerEnergy energy) |
| 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) |
| 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 | |
| virtual | ~FixedBBNode () |
| 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) |
Protected Member Functions | |
| core::PackerEnergy | get_curr_pd_energy_total () const |
| core::PackerEnergy | get_alt_pd_energy_total () const |
| void | set_alternate_state (int alt) |
| int | get_alternate_state () const |
| void | calc_deltaEpd (int alternate_state) |
| bool | considering_alternate_state () const |
Protected Member Functions inherited from core::pack::interaction_graph::OnTheFlyNode | |
| OnTheFlyEdge * | get_incident_otf_edge (int edge) |
| OnTheFlyEdge const * | get_incident_otf_edge (int edge) const |
| OnTheFlyNode * | get_adjacent_otf_node (int index) |
| OnTheFlyNode const * | get_adjacent_otf_node (int index) const |
| OnTheFlyInteractionGraph * | get_on_the_fly_owner () |
| OnTheFlyInteractionGraph const * | get_on_the_fly_owner () const |
| conformation::Residue const & | get_rotamer (int state) const |
| BoundingSphere const & | sc_bounding_sphere (int state) const |
| BoundingSphere const & | bb_bounding_sphere () const |
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 |
Definition at line 48 of file DoubleLazyInteractionGraph.hh.
| core::pack::interaction_graph::DoubleLazyNode::DoubleLazyNode | ( | InteractionGraphBase * | owner, |
| int | node_id, | ||
| int | num_states | ||
| ) |
main constructor, no default or copy constructors
DoubleLazyNode::(InteractionGraphBase *, int, int)
| @par | Global Read: |
Definition at line 54 of file DoubleLazyInteractionGraph.cc.
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Definition at line 71 of file DoubleLazyInteractionGraph.cc.
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Referenced by count_static_memory().
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Definition at line 159 of file DoubleLazyInteractionGraph.cc.
References core::pack::interaction_graph::SparseMatrixIndex::get_aa_type(), and core::pack::interaction_graph::OnTheFlyNode::get_sparse_mat_info_for_state().
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::aatype_for_node_state().
| 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 | ||
| ) |
DoubleLazyNode::acknowledge_neighbors_partial_state_substitution
| @par | Global Read: |
Definition at line 463 of file DoubleLazyInteractionGraph.cc.
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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DoubleLazyNode::acknowledge_neighbors_state_substitution
| @par | Global Read: |
Definition at line 757 of file DoubleLazyInteractionGraph.hh.
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: |
Definition at line 228 of file DoubleLazyInteractionGraph.cc.
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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DoubleLazyNode::assign_zero_state
| @par | Global Read: |
Implements core::pack::interaction_graph::NodeBase.
Definition at line 186 of file DoubleLazyInteractionGraph.cc.
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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Definition at line 586 of file DoubleLazyInteractionGraph.cc.
References project_deltaE_for_substitution().
| void core::pack::interaction_graph::DoubleLazyNode::commit_considered_substitution | ( | ) |
DoubleLazyNode::commit_considered_substitution
| @par | Global Read: |
Definition at line 358 of file DoubleLazyInteractionGraph.cc.
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 | ( | ) |
DoubleLazyNode::complete_state_assignment
| @par | Global Read: |
Definition at line 320 of file DoubleLazyInteractionGraph.cc.
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) |
DoubleLazyNode::compute_pair_energy_for_current_state
| @par | Global Read: |
Definition at line 428 of file DoubleLazyInteractionGraph.cc.
References core::pack::interaction_graph::OnTheFlyNode::compute_rotamer_pair_energy(), current_state_, and neighbors_curr_state_.
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Definition at line 138 of file DoubleLazyInteractionGraph.hh.
References alternate_state_is_being_considered_.
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reports the amount of dynamic memory this node allocates recursing to its base class
Reimplemented from core::pack::interaction_graph::OnTheFlyNode.
Definition at line 140 of file DoubleLazyInteractionGraph.cc.
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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DoubleLazyNode::getMemoryUsageInBytes
| @par | Global Read: |
Implements core::pack::interaction_graph::OnTheFlyNode.
Definition at line 134 of file DoubleLazyInteractionGraph.cc.
References DoubleLazyNode().
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Definition at line 559 of file DoubleLazyInteractionGraph.hh.
References core::pack::interaction_graph::NodeBase::get_adjacent_node().
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Definition at line 565 of file DoubleLazyInteractionGraph.hh.
References core::pack::interaction_graph::NodeBase::get_adjacent_node().
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Definition at line 134 of file DoubleLazyInteractionGraph.hh.
References alternate_state_total_energy_.
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Definition at line 136 of file DoubleLazyInteractionGraph.hh.
References alternate_state_.
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Definition at line 133 of file DoubleLazyInteractionGraph.hh.
References curr_state_total_energy_.
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Definition at line 71 of file DoubleLazyInteractionGraph.hh.
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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Definition at line 571 of file DoubleLazyInteractionGraph.hh.
References core::pack::interaction_graph::NodeBase::get_owner().
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Definition at line 577 of file DoubleLazyInteractionGraph.hh.
References core::pack::interaction_graph::NodeBase::get_owner().
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Pointer Downcasts.
Definition at line 547 of file DoubleLazyInteractionGraph.hh.
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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Definition at line 553 of file DoubleLazyInteractionGraph.hh.
References core::pack::interaction_graph::NodeBase::get_incident_edge().
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Definition at line 74 of file DoubleLazyInteractionGraph.hh.
References curr_state_one_body_energy_.
Referenced by core::pack::interaction_graph::DoubleLazyInteractionGraph::get_energy_sum_for_vertex_group().
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DoubleLazyNode::get_sparse_mat_info_for_curr_state
| @par | Global Read: |
Definition at line 728 of file DoubleLazyInteractionGraph.hh.
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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Definition at line 63 of file DoubleLazyInteractionGraph.hh.
References curr_state_total_energy_.
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| void core::pack::interaction_graph::DoubleLazyNode::partial_assign_state | ( | int | new_state) |
DoubleLazyNode::partial_assign_state
| @par | Global Read: |
Definition at line 279 of file DoubleLazyInteractionGraph.cc.
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.
Definition at line 75 of file DoubleLazyInteractionGraph.cc.
References core::pack::interaction_graph::NodeBase::get_edge_vector_up_to_date(), and update_internal_vectors().
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Implements core::pack::interaction_graph::NodeBase.
Definition at line 85 of file DoubleLazyInteractionGraph.cc.
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 |
DoubleLazyNode::print_internal_energies
| @par | Global Read: |
Definition at line 499 of file DoubleLazyInteractionGraph.cc.
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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DoubleLazyNode::project_deltaE_for_substitution
| @par | Global Read: |
Definition at line 655 of file DoubleLazyInteractionGraph.hh.
Referenced by calc_deltaEpd().
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Definition at line 135 of file DoubleLazyInteractionGraph.hh.
References alternate_state_.
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Implements core::pack::interaction_graph::NodeBase.
Definition at line 62 of file DoubleLazyInteractionGraph.hh.
References current_state_.
| void core::pack::interaction_graph::DoubleLazyNode::update_internal_energy_sums | ( | ) |
DoubleLazyNode::update_internal_energy_sums
| @par | Global Read: |
Definition at line 536 of file DoubleLazyInteractionGraph.cc.
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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DoubleLazyNode::update_internal_vectors
| @par | Global Read: |
Definition at line 569 of file DoubleLazyInteractionGraph.cc.
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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Definition at line 176 of file DoubleLazyInteractionGraph.hh.
Referenced by commit_considered_substitution().
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Definition at line 175 of file DoubleLazyInteractionGraph.hh.
Referenced by assign_zero_state(), commit_considered_substitution(), get_alternate_state(), and set_alternate_state().
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Definition at line 181 of file DoubleLazyInteractionGraph.hh.
Referenced by assign_state(), assign_zero_state(), commit_considered_substitution(), considering_alternate_state(), partial_assign_state(), and print().
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Definition at line 177 of file DoubleLazyInteractionGraph.hh.
Referenced by commit_considered_substitution(), and print().
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Definition at line 178 of file DoubleLazyInteractionGraph.hh.
Referenced by commit_considered_substitution(), and get_alt_pd_energy_total().
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Definition at line 179 of file DoubleLazyInteractionGraph.hh.
Referenced by commit_considered_substitution(), count_dynamic_memory(), print(), and update_internal_vectors().
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Definition at line 171 of file DoubleLazyInteractionGraph.hh.
Referenced by assign_state(), assign_zero_state(), commit_considered_substitution(), complete_state_assignment(), get_one_body_energy_current_state(), print(), print_internal_energies(), and update_internal_energy_sums().
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Definition at line 170 of file DoubleLazyInteractionGraph.hh.
Referenced by assign_state(), commit_considered_substitution(), partial_assign_state(), print(), and print_internal_energies().
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Definition at line 172 of file DoubleLazyInteractionGraph.hh.
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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Definition at line 173 of file DoubleLazyInteractionGraph.hh.
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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Definition at line 169 of file DoubleLazyInteractionGraph.hh.
Referenced by assign_state(), assign_zero_state(), commit_considered_substitution(), complete_state_assignment(), compute_pair_energy_for_current_state(), get_current_state(), get_sparse_mat_info_for_curr_state(), partial_assign_state(), print(), print_internal_energies(), and state_unassigned().
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Definition at line 166 of file DoubleLazyInteractionGraph.hh.
Referenced by acknowledge_neighbors_partial_state_substitution(), acknowledge_neighbors_state_substitution(), compute_pair_energy_for_current_state(), count_dynamic_memory(), and update_internal_vectors().
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Definition at line 167 of file DoubleLazyInteractionGraph.hh.
Referenced by acknowledge_neighbors_partial_state_substitution(), acknowledge_neighbors_state_substitution(), count_dynamic_memory(), and update_internal_vectors().
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Definition at line 182 of file DoubleLazyInteractionGraph.hh.
1.8.4