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Rosetta
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#include <MinimalistFlexbbInteractionGraph.hh>

Public Types | |
| typedef OTFFlexbbEdge | parent |
| typedef core::Real | Real |
Public Types inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge | |
| typedef FlexbbEdge | parent |
| typedef core::conformation::Residue | Residue |
| typedef ObjexxFCL::FArray2D< PackerEnergy > | FArray2D_PackerEnergy |
Public Types inherited from protocols::flexpack::interaction_graph::FlexbbEdge | |
| typedef core::pack::interaction_graph::EdgeBase | parent |
| typedef core::PackerEnergy | PackerEnergy |
| typedef core::Real | Real |
| typedef core::Size | Size |
Public Member Functions | |
| MinimalistFlexbbEdge (MinimalistFlexbbInteractionGraph *owner, int node1, int node2) | |
| EDGE. More... | |
| ~MinimalistFlexbbEdge () override | |
| void | declare_energies_final () override |
| Virtual functions from EdgeBase. More... | |
| void | prepare_for_simulated_annealing () override |
| void | set_edge_weight (Real weight) override |
| PackerEnergy | get_alt_stateE () |
| void | acknowledge_substitution (int node_changing_state) |
| void | acknowledge_state_zeroed (int node_index) |
| unsigned int | count_static_memory () const override |
| unsigned int | count_dynamic_memory () const override |
Public Member Functions inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge | |
| OTFFlexbbEdge (OTFFlexbbInteractionGraph *owner, int node1, int node2) | |
| EDGE. More... | |
| ~OTFFlexbbEdge () override | |
| PackerEnergy | compute_samebbconf_alternate_state_energy_first_node () |
| PackerEnergy | compute_samebbconf_alternate_state_energy_second_node () |
| PackerEnergy | compute_altbbconf_alternate_state_energy () |
| void | otfedge_note_substitution_accepted () |
| unsigned int | count_dynamic_memory () const override |
| void | set_ProCorrection_values (int node_not_necessarily_proline, int state, int other_bb, PackerEnergy bb_nonprobb_E, PackerEnergy bb_probb_E, PackerEnergy sc_nonprobb_E, PackerEnergy sc_probb_E) |
| void | set_GlyCorrection_values (int node_not_necessarily_glycine, int state, int other_bb, PackerEnergy bb_nonglybb_E, PackerEnergy bb_glybb_E, PackerEnergy sc_nonglybb_E, PackerEnergy sc_glybb_E) |
| void | prepare_for_simulated_annealing () override |
| void | note_long_range_interactions_exist () |
| void | print_alt_energies () const |
Public Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbEdge | |
| FlexbbEdge (FlexbbInteractionGraph *owner, int first_node_ind, int second_node_ind) | |
| ~FlexbbEdge () override | |
| bool | get_nodes_from_same_flexseg () const |
| void | set_alt_state (int node_index, int new_state, FlexbbSparseMatrixIndex const &state_info) |
| Called by FlexbbNode in prepare_for_bb_jump: Edges must know the alternate states that nodes are considering. Precondition: alt_state_ for a fixed node must match its cur_state_. More... | |
| void | acknowledge_partial_state_assignment (int node_index, int new_state, FlexbbSparseMatrixIndex const &state_info) |
| void | note_state_substitution_accepted () |
| Copy alt data to current data after a state substitution. More... | |
| void | reset_alternate_states_for_uncommited_substitution () |
| After a rejected state substitution, the FlexbbNode will call this function to reset the alt_state data to establish the invariant that the alternate state held on the flexbb edges reflect the the current state of those nodes not considering a state substitution. More... | |
| PackerEnergy | cur_energy () const |
| PackerEnergy | alt_energy () const |
Public Member Functions inherited from core::pack::interaction_graph::EdgeBase | |
| virtual | ~EdgeBase () |
| copy constructor, do not use More... | |
| EdgeBase (InteractionGraphBase *owner, int first_node_ind, int second_node_ind) | |
| main constructor for edge, no default nor copy constructors More... | |
| int | get_other_ind (int callers_index) const |
| returns the index of the other node that the edge is incident upon More... | |
| NodeBase * | get_other_node (int callers_index) const |
| returns a pointer to the other node that the edge is incident upon More... | |
| int | get_first_node_ind () const |
| returns the index of the smaller-indexed node More... | |
| int | get_second_node_ind () const |
| returns the index of the larger-indexed node More... | |
| void | set_pos_in_owners_list (std::list< EdgeBase * >::iterator edge_iterator) |
| edge keeps iterator to its position in it's owner's edge list More... | |
| void | set_pos_in_node_edgevector (int callers_index, int position) |
| edge keeps index it has in node_ind's edge vector More... | |
| bool | same_edge (int node1, int node2) const |
| returns true if this edge connects nodes of index node1 and node2 the order of node1 and node2 is not important More... | |
| Real | edge_weight () const |
| bool | marked_for_deletion () const |
| Has this edge indicated that it can be deleted? More... | |
| InteractionGraphBase const * | get_owner () const |
| InteractionGraphBase * | get_owner () |
Protected Member Functions | |
| MinimalistFlexbbNode const * | get_minimalistflexbb_node (int index) const |
| Downcasts. More... | |
| MinimalistFlexbbNode * | get_minimalistflexbb_node (int index) |
| MinimalistFlexbbInteractionGraph const * | get_minimalistflexbbig_owner () const |
| MinimalistFlexbbInteractionGraph * | get_minimalistflexbbig_owner () |
Protected Member Functions inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge | |
| OTFFlexbbNode const * | get_otfflexbb_node (int index) const |
| Downcasts. More... | |
| OTFFlexbbNode * | get_otfflexbb_node (int index) |
| OTFFlexbbInteractionGraph const * | get_otfflexbbig_owner () const |
| OTFFlexbbInteractionGraph * | get_otfflexbbig_owner () |
| Residue const & | alt_rot (int which_node) const |
| void | zero_state_on_node (int which_node) |
Protected Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbEdge | |
| FlexbbNode const * | get_flexbb_node (int index) const |
| FlexbbNode * | get_flexbb_node (int index) |
| FlexbbInteractionGraph const * | get_flexbbig_owner () const |
| FlexbbInteractionGraph * | get_flexbbig_owner () |
| int | num_bb (int node) |
| bool | nodes_part_of_same_flexseg () const |
| bool | nodes_considering_bb_move () const |
| void | set_nodes_considering_bb_move (bool status) |
| int | nodes_cur_state (int node) const |
| FlexbbSparseMatrixIndex const & | nodes_cur_info (int node) const |
| int | nodes_alt_state (int node) const |
| FlexbbSparseMatrixIndex const & | nodes_alt_info (int node) const |
| bool | alt_e_up_to_date () const |
| void | set_nodes_cur_state (int node, int setting) |
| Set the currently assigned state for a node; node == 0 || 1. More... | |
| void | set_nodes_cur_info (int node, FlexbbSparseMatrixIndex const &setting) |
| void | set_nodes_alt_state (int node, int setting) |
| Set the altnernate state being considered for a node; node == 0 || 1. More... | |
| void | set_nodes_alt_info (int node, FlexbbSparseMatrixIndex const &setting) |
| void | set_cur_energy (PackerEnergy setting) |
| void | set_alt_energy (PackerEnergy setting) |
| void | copy_alternate_to_current () |
| void | set_node_state_to_zero (int which_node) |
Protected Member Functions inherited from core::pack::interaction_graph::EdgeBase | |
| void | mark_edge_for_deletion () |
| Mark this edge so that it can be deleted. More... | |
| int | get_node_index (int index) const |
| int | get_num_states_for_node (int index) const |
| NodeBase const * | get_node (int index) const |
| NodeBase * | get_node (int index) |
| int | get_edges_position_in_nodes_edge_vector (int index) const |
| int | which_node (int node_index) const |
| is a node the first or second node this edge is incident upon? More... | |
| void | edge_weight (Real) |
| protected setter of the edge weight. To be called by derived classes after they have completed the conversion from the previous edge weighting to the new edge weighting. More... | |
| protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::MinimalistFlexbbEdge | ( | MinimalistFlexbbInteractionGraph * | owner, |
| int | node1, | ||
| int | node2 | ||
| ) |
EDGE.
Referenced by count_static_memory().
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overridedefault |
| void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_state_zeroed | ( | int | node_index | ) |
| void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_substitution | ( | int | node_changing_state | ) |
References protocols::flexpack::interaction_graph::MinimalistFlexbbNode::acknowledge_neighbors_substitution(), protocols::flexpack::interaction_graph::FlexbbEdge::cur_energy(), core::pack::interaction_graph::EdgeBase::get_edges_position_in_nodes_edge_vector(), get_minimalistflexbb_node(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::otfedge_note_substitution_accepted(), and core::pack::interaction_graph::EdgeBase::which_node().
Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbNode::commit_alt_bb_substitution(), protocols::flexpack::interaction_graph::MinimalistFlexbbNode::commit_considered_substitution(), and protocols::flexpack::interaction_graph::MinimalistFlexbbNode::complete_partial_state_assignment().
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overridevirtual |
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overridevirtual |
Implements core::pack::interaction_graph::EdgeBase.
References MinimalistFlexbbEdge().
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overridevirtual |
Virtual functions from EdgeBase.
Implements core::pack::interaction_graph::EdgeBase.
| MinimalistFlexbbEdge::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_alt_stateE | ( | ) |
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inlineprotected |
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inlineprotected |
Downcasts.
Edge Downcasts.
References core::pack::interaction_graph::EdgeBase::get_node().
Referenced by acknowledge_substitution().
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inlineprotected |
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inlineprotected |
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overridevirtual |
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overridevirtual |