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protocols::flexpack::interaction_graph::PrecomputedFlexbbInteractionGraph Class Reference

#include <PrecomputedFlexbbInteractionGraph.hh>

Inheritance diagram for protocols::flexpack::interaction_graph::PrecomputedFlexbbInteractionGraph:
Inheritance graph
Collaboration diagram for protocols::flexpack::interaction_graph::PrecomputedFlexbbInteractionGraph:
Collaboration graph

Additional Inherited Members

- Public Types inherited from protocols::flexpack::interaction_graph::FlexbbInteractionGraph
enum  Subsitution { SC_ONLY, BOTH_SC_AND_BB }
typedef core::PackerEnergy PackerEnergy
- Public Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbInteractionGraph
virtual ~FlexbbInteractionGraph ()
 GRAPH. More...
 FlexbbInteractionGraph (int num_nodes)
virtual void initialize (core::pack::rotamer_set::RotamerSetsBase const &rot_sets)
int get_num_aa_types () const
utility::vector1< Size > const & flexseg_members (int flexseg) const
int get_flexseg_for_bb (int bb) const
int get_flexseg_bb_offset (int flexseg_id) const
bool nodes_from_same_flexseg (int node1, int node2) const
int get_num_states_per_backbone_for_node (int node, int bb) const
int get_bb_for_state (int node, int state) const
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)=0
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)=0
virtual PackerEnergy commit_considered_backbone_move (ObjexxFCL::FArray1_int &rotamer_on_node)=0
void get_accessible_states (Subsitution move_mode, utility::vector1< Size > &rotlist) const
void get_backbone_list (utility::vector1< Size > &bblist) const
bool get_backbone_currently_assigned (int bbid) const
 Is the backbone conformation (in the global enumertion of backbone conformations) already assigned to the network? False if any residue on the flexible segment that this bbid corresponds to is assigned state 0. More...
bool get_enforce_bb_contiguity () const
 FlexbbNodes will ask: am I allowed to have a state that breaks the backbone? There are brief periods when the backbone is "broken" as the graph assigns new states to nodes on the same flexible segment. More...
void increment_count_nodes_in_flexseg ()
 Owner keeps a count of the number of nodes undergoing a simultaneous rotamer substitution as the backbone moves. More...
virtual unsigned int count_dynamic_memory () const
- Protected Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbInteractionGraph
FlexbbNode const * get_flexbb_node (int index) const
 Downcasts. More...
FlexbbNodeget_flexbb_node (int index)
FlexbbEdge const * find_flexbb_edge (int node1, int node2) const
FlexbbEdgefind_flexbb_edge (int node1, int node2)
FlexbbEdge const * cast_flexbb_edge (EdgeBase const *edge) const
FlexbbEdgecast_flexbb_edge (EdgeBase *edge)
void set_enforce_bb_contiguity (bool)
void note_bbjump_substitution ()
void note_fixedbb_substitution ()
bool last_considered_substitution_kept_backbone_fixed () const
bool last_considered_substitution_moved_the_backbone () const
bool last_considered_backbone_sub_unresolved () const
bool last_considered_substitution_unresolved () const
void note_last_considered_substitution_resolved ()
void reset_node_in_moving_flexseg_count ()
int get_num_nodes_changing_state () const
PackerEnergy total_energy_current_state_assignment () const
PackerEnergy total_energy_alternate_state_assignment () const
int node_considering_alt_state () const
 Only allowed to ask for the node considering an alternate state during a fixed-backbone substitution. More...
int flexseg_considering_alt_bb () const
 Only allowed to ask for the flexible segment considering an alternate backbone conformation during a backbone-moving substitution. More...
bool last_considered_backbone_sub_valid () const
int flexseg_for_moltenres (int moltenres) const
void set_total_energy_current_state_assignment (PackerEnergy setting)
void set_total_energy_alternate_state_assignment (PackerEnergy setting)
void set_node_considering_alt_state (int setting)
 Track the last node at which a fixed-backbone substitution took place. More...
void set_flexseg_considering_alt_bb (int setting)
 Track the last flexible segment at which a moving-backbone substitution took place. More...
void set_last_considered_backbone_sub_valid (bool setting)
virtual void update_internal_energy_totals ()

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