|
| enum | Subsitution { SC_ONLY,
BOTH_SC_AND_BB
} |
| |
typedef
core::pack::interaction_graph::InteractionGraphBase | parent |
| |
| typedef core::PackerEnergy | PackerEnergy |
| |
typedef
core::pack::interaction_graph::EdgeBase | EdgeBase |
| |
| 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 |
| |
| FlexbbNode const * | get_flexbb_node (int index) const |
| | Downcasts. More...
|
| |
| FlexbbNode * | get_flexbb_node (int index) |
| |
| FlexbbEdge const * | find_flexbb_edge (int node1, int node2) const |
| |
| FlexbbEdge * | find_flexbb_edge (int node1, int node2) |
| |
| FlexbbEdge const * | cast_flexbb_edge (EdgeBase const *edge) const |
| |
| FlexbbEdge * | cast_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 () |
| |
1.8.7
Public Types inherited from