| |
- builtins.object
-
- FlexbbIGFactory
- rosetta.core.pack.interaction_graph.EdgeBase(builtins.object)
-
- FlexbbEdge
-
- OTFFlexbbEdge
-
- MinimalistFlexbbEdge
- rosetta.core.pack.interaction_graph.InteractionGraphBase(rosetta.core.pack.interaction_graph.AnnealableGraphBase)
-
- FlexbbInteractionGraph
-
- OTFFlexbbInteractionGraph
-
- MinimalistFlexbbInteractionGraph
- PrecomputedFlexbbInteractionGraph
- rosetta.core.pack.interaction_graph.NodeBase(builtins.object)
-
- FlexbbNode
-
- OTFFlexbbNode
-
- MinimalistFlexbbNode
- rosetta.core.pack.interaction_graph.SparseMatrixIndex(builtins.object)
-
- FlexbbSparseMatrixIndex
class FlexbbEdge(rosetta.core.pack.interaction_graph.EdgeBase) |
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- Method resolution order:
- FlexbbEdge
- rosetta.core.pack.interaction_graph.EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, owner : protocols::flexpack::interaction_graph::FlexbbInteractionGraph, first_node_ind : int, second_node_ind : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- acknowledge_partial_state_assignment(...) from builtins.PyCapsule
- acknowledge_partial_state_assignment(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, node_index : int, new_state : int, state_info : rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex) -> NoneType
- alt_energy(...) from builtins.PyCapsule
- alt_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> int
- cur_energy(...) from builtins.PyCapsule
- cur_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> float
- get_nodes_from_same_flexseg(...) from builtins.PyCapsule
- get_nodes_from_same_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> bool
- note_state_substitution_accepted(...) from builtins.PyCapsule
- note_state_substitution_accepted(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> NoneType
Copy alt data to current data after a state substitution
- reset_alternate_states_for_uncommited_substitution(...) from builtins.PyCapsule
- reset_alternate_states_for_uncommited_substitution(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> NoneType
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
- set_alt_state(...) from builtins.PyCapsule
- set_alt_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, node_index : int, new_state : int, state_info : rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex) -> NoneType
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_
Methods inherited from rosetta.core.pack.interaction_graph.EdgeBase:
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.EdgeBase) -> NoneType
- edge_weight(...) from builtins.PyCapsule
- edge_weight(rosetta.core.pack.interaction_graph.EdgeBase) -> float
- get_first_node_ind(...) from builtins.PyCapsule
- get_first_node_ind(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- get_other_ind(...) from builtins.PyCapsule
- get_other_ind(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int) -> int
- get_other_node(...) from builtins.PyCapsule
- get_other_node(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_owner(...) from builtins.PyCapsule
- get_owner(*args, **kwargs)
Overloaded function.
1. get_owner(rosetta.core.pack.interaction_graph.EdgeBase) -> core::pack::interaction_graph::InteractionGraphBase
2. get_owner(rosetta.core.pack.interaction_graph.EdgeBase) -> core::pack::interaction_graph::InteractionGraphBase
- get_second_node_ind(...) from builtins.PyCapsule
- get_second_node_ind(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.EdgeBase) -> NoneType
- same_edge(...) from builtins.PyCapsule
- same_edge(self : rosetta.core.pack.interaction_graph.EdgeBase, node1 : int, node2 : int) -> bool
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.EdgeBase, weight : float) -> NoneType
- set_pos_in_node_edgevector(...) from builtins.PyCapsule
- set_pos_in_node_edgevector(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int, position : int) -> NoneType
- set_pos_in_owners_list(...) from builtins.PyCapsule
- set_pos_in_owners_list(self : rosetta.core.pack.interaction_graph.EdgeBase, edge_iterator : std::_List_iterator<core::pack::interaction_graph::EdgeBase*>) -> NoneType
|
class FlexbbInteractionGraph(rosetta.core.pack.interaction_graph.InteractionGraphBase) |
| |
- Method resolution order:
- FlexbbInteractionGraph
- rosetta.core.pack.interaction_graph.InteractionGraphBase
- rosetta.core.pack.interaction_graph.AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- commit_considered_backbone_move(...) from builtins.PyCapsule
- commit_considered_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, rotamer_on_node : ObjexxFCL::FArray1<int>) -> float
- consider_backbone_move(...) from builtins.PyCapsule
- consider_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb_id : int, delta_energy : float, prev_flexseg_energy : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- consider_bbmove_w_state_substitution(...) from builtins.PyCapsule
- consider_bbmove_w_state_substitution(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_flexseg : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> int
- flexseg_members(...) from builtins.PyCapsule
- flexseg_members(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg : int) -> rosetta.utility.vector1_unsigned_long
- get_accessible_states(...) from builtins.PyCapsule
- get_accessible_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, move_mode : rosetta.protocols.flexpack.interaction_graph.Subsitution, rotlist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_backbone_currently_assigned(...) from builtins.PyCapsule
- get_backbone_currently_assigned(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bbid : int) -> bool
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.
- get_backbone_list(...) from builtins.PyCapsule
- get_backbone_list(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bblist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, state : int) -> int
- get_enforce_bb_contiguity(...) from builtins.PyCapsule
- get_enforce_bb_contiguity(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> bool
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.
- get_flexseg_bb_offset(...) from builtins.PyCapsule
- get_flexseg_bb_offset(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg_id : int) -> int
- get_flexseg_for_bb(...) from builtins.PyCapsule
- get_flexseg_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb : int) -> int
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> int
- get_num_states_per_backbone_for_node(...) from builtins.PyCapsule
- get_num_states_per_backbone_for_node(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, bb : int) -> int
- increment_count_nodes_in_flexseg(...) from builtins.PyCapsule
- increment_count_nodes_in_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> NoneType
Owner keeps a count of the number of nodes undergoing a
simultaneous rotamer substitution as the backbone moves.
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- nodes_from_same_flexseg(...) from builtins.PyCapsule
- nodes_from_same_flexseg(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node1 : int, node2 : int) -> bool
Data and other attributes defined here:
- BOTH_SC_AND_BB = Subsitution.BOTH_SC_AND_BB
- SC_ONLY = Subsitution.SC_ONLY
- Subsitution = <class 'rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph.Subsitution'>
Methods inherited from rosetta.core.pack.interaction_graph.InteractionGraphBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> NoneType
- add_to_nodes_one_body_energy(...) from builtins.PyCapsule
- add_to_nodes_one_body_energy(*args, **kwargs)
Overloaded function.
1. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : rosetta.utility.vector1_float) -> NoneType
2. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
3. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, state_id : int, one_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesNode::add_to_nodes_one_body_energy
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_connected_components_and_initialize_vertex_groups(...) from builtins.PyCapsule
- count_connected_components_and_initialize_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- create_new_edge(...) from builtins.PyCapsule
- create_new_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index1 : int, index2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- create_new_node(...) from builtins.PyCapsule
- create_new_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, num_states : int) -> rosetta.core.pack.interaction_graph.NodeBase
- drop_all_edges_for_node(...) from builtins.PyCapsule
- drop_all_edges_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
- edge_list_iterator_at_end(...) from builtins.PyCapsule
- edge_list_iterator_at_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
test: have we arrived at the edge list end?
- find_edge(...) from builtins.PyCapsule
- find_edge(*args, **kwargs)
Overloaded function.
1. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
The following functions provide access to the nodes and edges in the graph
though, their use is strongly discouraged except for in writing unit tests
to ensure that the graphs are properly implemented.
2. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- getTotalMemoryUsage(...) from builtins.PyCapsule
- getTotalMemoryUsage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge(...) from builtins.PyCapsule
- get_edge(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> rosetta.core.pack.interaction_graph.EdgeBase
return a const reference to an edge pointed at by the list iterator
- get_edge_exists(...) from builtins.PyCapsule
- get_edge_exists(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> bool
- get_edge_list_begin(...) from builtins.PyCapsule
- get_edge_list_begin(*args, **kwargs)
Overloaded function.
1. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
2. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_list_end(...) from builtins.PyCapsule
- get_edge_list_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge_weight(...) from builtins.PyCapsule
- get_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> float
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, group_id : int) -> float
- get_node(...) from builtins.PyCapsule
- get_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_num_edges(...) from builtins.PyCapsule
- get_num_edges(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> int
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, state : int) -> float
- get_vertex_member_of_energy_sum_group(...) from builtins.PyCapsule
- get_vertex_member_of_energy_sum_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, group_id : int) -> bool
- increment_edge_list_iterator(...) from builtins.PyCapsule
- increment_edge_list_iterator(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
increment the (single) edge list iterator to the next element
- note_vertex_reached(...) from builtins.PyCapsule
- note_vertex_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
iterate across edges and nodes and allow them to prepare
for simulated annealing
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertex_groups(...) from builtins.PyCapsule
- print_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertices(...) from builtins.PyCapsule
- print_vertices(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- reset_edge_list_iterator_for_node(...) from builtins.PyCapsule
- reset_edge_list_iterator_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
set the Graph's (single) edge list iterator to the beginning of the edge list
for a particular node
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int, edge_weight : float) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_states : ObjexxFCL::FArray1<int>) -> float
- set_num_states_for_node(...) from builtins.PyCapsule
- set_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, num_states : int) -> NoneType
- set_number_of_energy_sum_vertex_groups(...) from builtins.PyCapsule
- set_number_of_energy_sum_vertex_groups(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, num_groups : int) -> NoneType
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, new_state : int) -> float
- set_vertex_member_of_group(...) from builtins.PyCapsule
- set_vertex_member_of_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, vertex : int, group : int) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, old_energy1b : ObjexxFCL::FArray1<float>, new_energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- vertex_already_reached(...) from builtins.PyCapsule
- vertex_already_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> bool
- zero_one_body_energies_for_node(...) from builtins.PyCapsule
- zero_one_body_energies_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.AnnealableGraphBase:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, : rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> rosetta.core.pack.interaction_graph.AnnealableGraphBase
|
class FlexbbNode(rosetta.core.pack.interaction_graph.NodeBase) |
| |
- Method resolution order:
- FlexbbNode
- rosetta.core.pack.interaction_graph.NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, owner : protocols::flexpack::interaction_graph::FlexbbInteractionGraph, node_id : int, num_states : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int, energy : float) -> NoneType
- alt_bb(...) from builtins.PyCapsule
- alt_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- alternate_state(...) from builtins.PyCapsule
- alternate_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- alternate_state_info(...) from builtins.PyCapsule
- alternate_state_info(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- alternate_state_is_being_considered(...) from builtins.PyCapsule
- alternate_state_is_being_considered(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- alternate_state_one_body_energy(...) from builtins.PyCapsule
- alternate_state_one_body_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- alternate_state_total_energy(...) from builtins.PyCapsule
- alternate_state_total_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- alternate_state_two_body_energies(...) from builtins.PyCapsule
- alternate_state_two_body_energies(*args, **kwargs)
Overloaded function.
1. alternate_state_two_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
2. alternate_state_two_body_energies(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, ind : int) -> float
- closest_state_on_alt_bb(...) from builtins.PyCapsule
- closest_state_on_alt_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- count_energy_to_node_in_my_fragtotalE(...) from builtins.PyCapsule
- count_energy_to_node_in_my_fragtotalE(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, edge_index : int) -> bool
Convention for acumulating energies between flexsegmates during a backbone move:
The smaller-indexed node counts the interaction, the larger-indexed node does not.
- curr_bb(...) from builtins.PyCapsule
- curr_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- curr_state_one_body_energy(...) from builtins.PyCapsule
- curr_state_one_body_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- curr_state_total_energy(...) from builtins.PyCapsule
- curr_state_total_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- curr_state_two_body_energies(...) from builtins.PyCapsule
- curr_state_two_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
- current_state(...) from builtins.PyCapsule
- current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- current_state_info(...) from builtins.PyCapsule
- current_state_info(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- edge_connects_flexsegmate(...) from builtins.PyCapsule
- edge_connects_flexsegmate(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_bool
- getNumStatesPerAAPerBB(...) from builtins.PyCapsule
- getNumStatesPerAAPerBB(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, aa : int) -> ObjexxFCL::FArray1A<int>
- get_all_states(...) from builtins.PyCapsule
- get_all_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, rotlist : rosetta.utility.vector1_unsigned_long, offset : int) -> NoneType
- get_backbone_for_current_state(...) from builtins.PyCapsule
- get_backbone_for_current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_num_distinct_backbones(...) from builtins.PyCapsule
- get_num_distinct_backbones(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_num_states_for_aa_type_for_bb(...) from builtins.PyCapsule
- get_num_states_for_aa_type_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, aa_type : int, bb : int) -> int
- get_num_states_for_bb(...) from builtins.PyCapsule
- get_num_states_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, bbconf : int) -> int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> float
- get_state_offset_for_bb(...) from builtins.PyCapsule
- get_state_offset_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, bbconf : int) -> int
- get_states_on_curr_bb(...) from builtins.PyCapsule
- get_states_on_curr_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state_list : rosetta.utility.vector1_unsigned_long, offset : int) -> NoneType
- inform_edges_of_alt_state_before_bbjump(...) from builtins.PyCapsule
- inform_edges_of_alt_state_before_bbjump(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- num_aa_types(...) from builtins.PyCapsule
- num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
Read access to private data to both derived classes and the world
- num_bbconfs(...) from builtins.PyCapsule
- num_bbconfs(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- num_states_for_aa_for_bb(...) from builtins.PyCapsule
- num_states_for_aa_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- num_states_for_bb(...) from builtins.PyCapsule
- num_states_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_int
- one_body_energies(...) from builtins.PyCapsule
- one_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- set_amino_acid_types(...) from builtins.PyCapsule
- set_amino_acid_types(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : rosetta.utility.vector1_int) -> NoneType
- set_closest_states_on_other_bbs(...) from builtins.PyCapsule
- set_closest_states_on_other_bbs(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : ObjexxFCL::FArray2D<int>) -> NoneType
- set_num_distinct_backbones(...) from builtins.PyCapsule
- set_num_distinct_backbones(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, nbbconfs : int) -> NoneType
- set_num_states_per_backbone(...) from builtins.PyCapsule
- set_num_states_per_backbone(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : rosetta.utility.vector1_int) -> NoneType
- state_has_same_backbone_as_current(...) from builtins.PyCapsule
- state_has_same_backbone_as_current(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> bool
- state_info(...) from builtins.PyCapsule
- state_info(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- state_offsets_for_aa_for_bb(...) from builtins.PyCapsule
- state_offsets_for_aa_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- state_offsets_for_bb(...) from builtins.PyCapsule
- state_offsets_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_int
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int, energy : float) -> NoneType
- write_current_state_to_state_array(...) from builtins.PyCapsule
- write_current_state_to_state_array(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, nodes_states : ObjexxFCL::FArray1<int>) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.NodeBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.NodeBase, edge_ptr : core::pack::interaction_graph::EdgeBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.NodeBase) -> int
- depth_first_connected_component_counting(...) from builtins.PyCapsule
- depth_first_connected_component_counting(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- drop_all_edges(...) from builtins.PyCapsule
- drop_all_edges(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- drop_edge(...) from builtins.PyCapsule
- drop_edge(self : rosetta.core.pack.interaction_graph.NodeBase, edge_iterator : std::_List_iterator<core::pack::interaction_graph::EdgeBase*>) -> NoneType
- edge_list_begin(...) from builtins.PyCapsule
- edge_list_begin(rosetta.core.pack.interaction_graph.NodeBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- edge_list_end(...) from builtins.PyCapsule
- edge_list_end(rosetta.core.pack.interaction_graph.NodeBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- find_edge(...) from builtins.PyCapsule
- find_edge(self : rosetta.core.pack.interaction_graph.NodeBase, other_node_index : int) -> core::pack::interaction_graph::EdgeBase
- get_adjacent_node(...) from builtins.PyCapsule
- get_adjacent_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
2. get_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_incident_edge(...) from builtins.PyCapsule
- get_incident_edge(*args, **kwargs)
Overloaded function.
1. get_incident_edge(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> core::pack::interaction_graph::EdgeBase
These functions are public for the sake of writing good unit tests
2. get_incident_edge(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> core::pack::interaction_graph::EdgeBase
- get_index_of_adjacent_node(...) from builtins.PyCapsule
- get_index_of_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> int
- get_node_index(...) from builtins.PyCapsule
- get_node_index(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_larger_indexed_nodes(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_smaller_indexed_nodes(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_incident_edges(...) from builtins.PyCapsule
- get_num_incident_edges(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_states(...) from builtins.PyCapsule
- get_num_states(rosetta.core.pack.interaction_graph.NodeBase) -> int
|
class MinimalistFlexbbEdge(OTFFlexbbEdge) |
| |
- Method resolution order:
- MinimalistFlexbbEdge
- OTFFlexbbEdge
- FlexbbEdge
- rosetta.core.pack.interaction_graph.EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph, node1 : int, node2 : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge, node_index : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge, node_changing_state : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge) -> NoneType
Virtual functions from EdgeBase
- get_alt_stateE(...) from builtins.PyCapsule
- get_alt_stateE(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge) -> float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbEdge, weight : float) -> NoneType
Methods inherited from OTFFlexbbEdge:
- compute_altbbconf_alternate_state_energy(...) from builtins.PyCapsule
- compute_altbbconf_alternate_state_energy(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> float
- compute_samebbconf_alternate_state_energy_first_node(...) from builtins.PyCapsule
- compute_samebbconf_alternate_state_energy_first_node(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> float
- compute_samebbconf_alternate_state_energy_second_node(...) from builtins.PyCapsule
- compute_samebbconf_alternate_state_energy_second_node(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> float
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- otfedge_note_substitution_accepted(...) from builtins.PyCapsule
- otfedge_note_substitution_accepted(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- print_alt_energies(...) from builtins.PyCapsule
- print_alt_energies(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- set_GlyCorrection_values(...) from builtins.PyCapsule
- set_GlyCorrection_values(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge, node_not_necessarily_glycine : int, state : int, other_bb : int, bb_nonglybb_E : float, bb_glybb_E : float, sc_nonglybb_E : float, sc_glybb_E : float) -> NoneType
- set_ProCorrection_values(...) from builtins.PyCapsule
- set_ProCorrection_values(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge, node_not_necessarily_proline : int, state : int, other_bb : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
Methods inherited from FlexbbEdge:
- acknowledge_partial_state_assignment(...) from builtins.PyCapsule
- acknowledge_partial_state_assignment(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, node_index : int, new_state : int, state_info : rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex) -> NoneType
- alt_energy(...) from builtins.PyCapsule
- alt_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> float
- cur_energy(...) from builtins.PyCapsule
- cur_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> float
- get_nodes_from_same_flexseg(...) from builtins.PyCapsule
- get_nodes_from_same_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> bool
- note_state_substitution_accepted(...) from builtins.PyCapsule
- note_state_substitution_accepted(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> NoneType
Copy alt data to current data after a state substitution
- reset_alternate_states_for_uncommited_substitution(...) from builtins.PyCapsule
- reset_alternate_states_for_uncommited_substitution(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> NoneType
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
- set_alt_state(...) from builtins.PyCapsule
- set_alt_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, node_index : int, new_state : int, state_info : rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex) -> NoneType
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_
Methods inherited from rosetta.core.pack.interaction_graph.EdgeBase:
- edge_weight(...) from builtins.PyCapsule
- edge_weight(rosetta.core.pack.interaction_graph.EdgeBase) -> float
- get_first_node_ind(...) from builtins.PyCapsule
- get_first_node_ind(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- get_other_ind(...) from builtins.PyCapsule
- get_other_ind(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int) -> int
- get_other_node(...) from builtins.PyCapsule
- get_other_node(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_owner(...) from builtins.PyCapsule
- get_owner(*args, **kwargs)
Overloaded function.
1. get_owner(rosetta.core.pack.interaction_graph.EdgeBase) -> core::pack::interaction_graph::InteractionGraphBase
2. get_owner(rosetta.core.pack.interaction_graph.EdgeBase) -> core::pack::interaction_graph::InteractionGraphBase
- get_second_node_ind(...) from builtins.PyCapsule
- get_second_node_ind(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- same_edge(...) from builtins.PyCapsule
- same_edge(self : rosetta.core.pack.interaction_graph.EdgeBase, node1 : int, node2 : int) -> bool
- set_pos_in_node_edgevector(...) from builtins.PyCapsule
- set_pos_in_node_edgevector(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int, position : int) -> NoneType
- set_pos_in_owners_list(...) from builtins.PyCapsule
- set_pos_in_owners_list(self : rosetta.core.pack.interaction_graph.EdgeBase, edge_iterator : std::_List_iterator<core::pack::interaction_graph::EdgeBase*>) -> NoneType
|
class MinimalistFlexbbInteractionGraph(OTFFlexbbInteractionGraph) |
| |
- Method resolution order:
- MinimalistFlexbbInteractionGraph
- OTFFlexbbInteractionGraph
- FlexbbInteractionGraph
- rosetta.core.pack.interaction_graph.InteractionGraphBase
- rosetta.core.pack.interaction_graph.AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph) -> float
- consider_backbone_move(...) from builtins.PyCapsule
- consider_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, bb_id : int, delta_energy : float, prev_flexseg_energy : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
Virtual functions from FlexbbInteractionGraph
- consider_bbmove_w_state_substitution(...) from builtins.PyCapsule
- consider_bbmove_w_state_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_flexseg : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph) -> int
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, group_id : int) -> float
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
Virtual functions from InteractionGraphBase
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from OTFFlexbbInteractionGraph:
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> int
- debug_note_accepted_substitution(...) from builtins.PyCapsule
- debug_note_accepted_substitution(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> NoneType
- debug_note_considered_substitution(...) from builtins.PyCapsule
- debug_note_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, alt_rotamer : rosetta.core.conformation.Residue, index : int) -> NoneType
- debug_note_projected_deltaE_of_considered_substitution(...) from builtins.PyCapsule
- debug_note_projected_deltaE_of_considered_substitution(*args, **kwargs)
Overloaded function.
1. debug_note_projected_deltaE_of_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, deltaE : float, node_alt_total : float) -> NoneType
2. debug_note_projected_deltaE_of_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, deltaE : float, node_alt_total : float, require_match : bool) -> NoneType
- debug_note_rejected_substitution(...) from builtins.PyCapsule
- debug_note_rejected_substitution(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> NoneType
- get_pose(...) from builtins.PyCapsule
- get_pose(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> rosetta.core.pose.Pose
Edges request the pose and the score function at the time of their creation.
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, node1 : int, node2 : int) -> NoneType
Informs the edge connecting nodes 1 and 2 that they require long range interactions.
Note -- the edge must already exist.
- set_GlyCorrection_values_for_edge(...) from builtins.PyCapsule
- set_GlyCorrection_values_for_edge(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, node1 : int, node2 : int, node_not_necessarily_glycine : int, state : int, other_bb : int, bb_nonglybb_E : float, bb_glybb_E : float, sc_nonglybb_E : float, sc_glybb_E : float) -> NoneType
- set_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- set_ProCorrection_values_for_edge(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, node1 : int, node2 : int, node_not_necessarily_proline : int, state : int, other_bb : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, pose : rosetta.core.pose.Pose) -> NoneType
Pose must be set before any edges are added to the graph.
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Score function must be set before any edges are added to the graph.
Methods inherited from FlexbbInteractionGraph:
- commit_considered_backbone_move(...) from builtins.PyCapsule
- commit_considered_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, rotamer_on_node : ObjexxFCL::FArray1<int>) -> float
- flexseg_members(...) from builtins.PyCapsule
- flexseg_members(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg : int) -> rosetta.utility.vector1_unsigned_long
- get_accessible_states(...) from builtins.PyCapsule
- get_accessible_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, move_mode : rosetta.protocols.flexpack.interaction_graph.Subsitution, rotlist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_backbone_currently_assigned(...) from builtins.PyCapsule
- get_backbone_currently_assigned(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bbid : int) -> bool
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.
- get_backbone_list(...) from builtins.PyCapsule
- get_backbone_list(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bblist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, state : int) -> int
- get_enforce_bb_contiguity(...) from builtins.PyCapsule
- get_enforce_bb_contiguity(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> bool
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.
- get_flexseg_bb_offset(...) from builtins.PyCapsule
- get_flexseg_bb_offset(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg_id : int) -> int
- get_flexseg_for_bb(...) from builtins.PyCapsule
- get_flexseg_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb : int) -> int
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> int
- get_num_states_per_backbone_for_node(...) from builtins.PyCapsule
- get_num_states_per_backbone_for_node(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, bb : int) -> int
- increment_count_nodes_in_flexseg(...) from builtins.PyCapsule
- increment_count_nodes_in_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> NoneType
Owner keeps a count of the number of nodes undergoing a
simultaneous rotamer substitution as the backbone moves.
- nodes_from_same_flexseg(...) from builtins.PyCapsule
- nodes_from_same_flexseg(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node1 : int, node2 : int) -> bool
Data and other attributes inherited from FlexbbInteractionGraph:
- BOTH_SC_AND_BB = Subsitution.BOTH_SC_AND_BB
- SC_ONLY = Subsitution.SC_ONLY
- Subsitution = <class 'rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph.Subsitution'>
Methods inherited from rosetta.core.pack.interaction_graph.InteractionGraphBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> NoneType
- add_to_nodes_one_body_energy(...) from builtins.PyCapsule
- add_to_nodes_one_body_energy(*args, **kwargs)
Overloaded function.
1. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : rosetta.utility.vector1_float) -> NoneType
2. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
3. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, state_id : int, one_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesNode::add_to_nodes_one_body_energy
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
- count_connected_components_and_initialize_vertex_groups(...) from builtins.PyCapsule
- count_connected_components_and_initialize_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- create_new_edge(...) from builtins.PyCapsule
- create_new_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index1 : int, index2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- create_new_node(...) from builtins.PyCapsule
- create_new_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, num_states : int) -> rosetta.core.pack.interaction_graph.NodeBase
- drop_all_edges_for_node(...) from builtins.PyCapsule
- drop_all_edges_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
- edge_list_iterator_at_end(...) from builtins.PyCapsule
- edge_list_iterator_at_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
test: have we arrived at the edge list end?
- find_edge(...) from builtins.PyCapsule
- find_edge(*args, **kwargs)
Overloaded function.
1. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
The following functions provide access to the nodes and edges in the graph
though, their use is strongly discouraged except for in writing unit tests
to ensure that the graphs are properly implemented.
2. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- getTotalMemoryUsage(...) from builtins.PyCapsule
- getTotalMemoryUsage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge(...) from builtins.PyCapsule
- get_edge(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> rosetta.core.pack.interaction_graph.EdgeBase
return a const reference to an edge pointed at by the list iterator
- get_edge_exists(...) from builtins.PyCapsule
- get_edge_exists(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> bool
- get_edge_list_begin(...) from builtins.PyCapsule
- get_edge_list_begin(*args, **kwargs)
Overloaded function.
1. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
2. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_list_end(...) from builtins.PyCapsule
- get_edge_list_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_weight(...) from builtins.PyCapsule
- get_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> float
- get_node(...) from builtins.PyCapsule
- get_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_num_edges(...) from builtins.PyCapsule
- get_num_edges(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> int
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_vertex_member_of_energy_sum_group(...) from builtins.PyCapsule
- get_vertex_member_of_energy_sum_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, group_id : int) -> bool
- increment_edge_list_iterator(...) from builtins.PyCapsule
- increment_edge_list_iterator(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
increment the (single) edge list iterator to the next element
- note_vertex_reached(...) from builtins.PyCapsule
- note_vertex_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
iterate across edges and nodes and allow them to prepare
for simulated annealing
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertex_groups(...) from builtins.PyCapsule
- print_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertices(...) from builtins.PyCapsule
- print_vertices(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- reset_edge_list_iterator_for_node(...) from builtins.PyCapsule
- reset_edge_list_iterator_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
set the Graph's (single) edge list iterator to the beginning of the edge list
for a particular node
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int, edge_weight : float) -> NoneType
- set_num_states_for_node(...) from builtins.PyCapsule
- set_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, num_states : int) -> NoneType
- set_number_of_energy_sum_vertex_groups(...) from builtins.PyCapsule
- set_number_of_energy_sum_vertex_groups(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, num_groups : int) -> NoneType
- set_vertex_member_of_group(...) from builtins.PyCapsule
- set_vertex_member_of_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, vertex : int, group : int) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, old_energy1b : ObjexxFCL::FArray1<float>, new_energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- vertex_already_reached(...) from builtins.PyCapsule
- vertex_already_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> bool
- zero_one_body_energies_for_node(...) from builtins.PyCapsule
- zero_one_body_energies_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.AnnealableGraphBase:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, : rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> rosetta.core.pack.interaction_graph.AnnealableGraphBase
|
class MinimalistFlexbbNode(OTFFlexbbNode) |
| |
- Method resolution order:
- MinimalistFlexbbNode
- OTFFlexbbNode
- FlexbbNode
- rosetta.core.pack.interaction_graph.NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph, node_id : int, num_states : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- acknowledge_neighbors_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, which_edge : int, alternate_energy : float) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, new_state : int) -> float
assign a new state to this node and return the change in energy induced
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> NoneType
Virtual functions from NodeBase not covered by FlexbbNode
- commit_alt_bb_substitution(...) from builtins.PyCapsule
- commit_alt_bb_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, state_on_node : ObjexxFCL::FArray1<int>) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(*args, **kwargs)
Overloaded function.
1. commit_considered_substitution(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> NoneType
2. commit_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, state_on_node : ObjexxFCL::FArray1<int>) -> NoneType
- complete_partial_state_assignment(...) from builtins.PyCapsule
- complete_partial_state_assignment(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> NoneType
See description of partially_assign_state.
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> int
- get_frag_energy_for_alt_bb_state(...) from builtins.PyCapsule
- get_frag_energy_for_alt_bb_state(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> float
- get_frag_energy_for_curr_bb_state_and_finalize_alt_energy_total(...) from builtins.PyCapsule
- get_frag_energy_for_curr_bb_state_and_finalize_alt_energy_total(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> float
- partially_assign_state(...) from builtins.PyCapsule
- partially_assign_state(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, new_state : int) -> NoneType
For assinging network states to the interaction graph: when substituting
two adjacent nodes i and j from states r and s to states r' and s', this
function, along with its partner function, complete_partial_state_assignment,
guarantees that neither the energies r' with s nor s' with r are computed
which would be wasteful. This function is meant to be called by the
owning interaction graph and not meant to be called by the outside world.
- prepare_for_altbb_move_to_closest_state(...) from builtins.PyCapsule
- prepare_for_altbb_move_to_closest_state(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, alt_bb : int) -> bool
Set the alternate state to be the one on the alternate backbone
most similar to the currently assigned state.
Traverse incident edges and inform them of the alternate
state being considered at this node. Return true if the alternate
state is valid.
- prepare_for_altbb_move_to_state(...) from builtins.PyCapsule
- prepare_for_altbb_move_to_state(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, alt_state : int) -> bool
Traverse incident edges and inform them of the alternate
state being considered at this node. Return true if the alternate
state is valid.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode, alternate_state : int, prev_energy_for_node : float) -> float
Other functions
- resolve_uncommitted_substitution(...) from builtins.PyCapsule
- resolve_uncommitted_substitution(rosetta.protocols.flexpack.interaction_graph.MinimalistFlexbbNode) -> NoneType
Methods inherited from OTFFlexbbNode:
- bounding_radius_for_rotamers(...) from builtins.PyCapsule
- bounding_radius_for_rotamers(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, aatype : int, bb : int) -> float
- declare_all_rotamers_initialized(...) from builtins.PyCapsule
- declare_all_rotamers_initialized(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode) -> NoneType
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, index : int) -> rosetta.core.conformation.Residue
- rotamer_is_glycine(...) from builtins.PyCapsule
- rotamer_is_glycine(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, state : int) -> bool
- rotamer_is_proline(...) from builtins.PyCapsule
- rotamer_is_proline(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, state : int) -> bool
- set_rotamer(...) from builtins.PyCapsule
- set_rotamer(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, state : int, rotamer : rosetta.core.conformation.Residue) -> NoneType
Methods inherited from FlexbbNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int, energy : float) -> NoneType
- alt_bb(...) from builtins.PyCapsule
- alt_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- alternate_state(...) from builtins.PyCapsule
- alternate_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- alternate_state_info(...) from builtins.PyCapsule
- alternate_state_info(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- alternate_state_is_being_considered(...) from builtins.PyCapsule
- alternate_state_is_being_considered(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- alternate_state_one_body_energy(...) from builtins.PyCapsule
- alternate_state_one_body_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- alternate_state_total_energy(...) from builtins.PyCapsule
- alternate_state_total_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- alternate_state_two_body_energies(...) from builtins.PyCapsule
- alternate_state_two_body_energies(*args, **kwargs)
Overloaded function.
1. alternate_state_two_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
2. alternate_state_two_body_energies(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, ind : int) -> float
- closest_state_on_alt_bb(...) from builtins.PyCapsule
- closest_state_on_alt_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- count_energy_to_node_in_my_fragtotalE(...) from builtins.PyCapsule
- count_energy_to_node_in_my_fragtotalE(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, edge_index : int) -> bool
Convention for acumulating energies between flexsegmates during a backbone move:
The smaller-indexed node counts the interaction, the larger-indexed node does not.
- curr_bb(...) from builtins.PyCapsule
- curr_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- curr_state_one_body_energy(...) from builtins.PyCapsule
- curr_state_one_body_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- curr_state_total_energy(...) from builtins.PyCapsule
- curr_state_total_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- curr_state_two_body_energies(...) from builtins.PyCapsule
- curr_state_two_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
- current_state(...) from builtins.PyCapsule
- current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- current_state_info(...) from builtins.PyCapsule
- current_state_info(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- edge_connects_flexsegmate(...) from builtins.PyCapsule
- edge_connects_flexsegmate(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_bool
- getNumStatesPerAAPerBB(...) from builtins.PyCapsule
- getNumStatesPerAAPerBB(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, aa : int) -> ObjexxFCL::FArray1A<int>
- get_all_states(...) from builtins.PyCapsule
- get_all_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, rotlist : rosetta.utility.vector1_unsigned_long, offset : int) -> NoneType
- get_backbone_for_current_state(...) from builtins.PyCapsule
- get_backbone_for_current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_num_distinct_backbones(...) from builtins.PyCapsule
- get_num_distinct_backbones(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_num_states_for_aa_type_for_bb(...) from builtins.PyCapsule
- get_num_states_for_aa_type_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, aa_type : int, bb : int) -> int
- get_num_states_for_bb(...) from builtins.PyCapsule
- get_num_states_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, bbconf : int) -> int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> float
- get_state_offset_for_bb(...) from builtins.PyCapsule
- get_state_offset_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, bbconf : int) -> int
- get_states_on_curr_bb(...) from builtins.PyCapsule
- get_states_on_curr_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state_list : rosetta.utility.vector1_unsigned_long, offset : int) -> NoneType
- inform_edges_of_alt_state_before_bbjump(...) from builtins.PyCapsule
- inform_edges_of_alt_state_before_bbjump(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- num_aa_types(...) from builtins.PyCapsule
- num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
Read access to private data to both derived classes and the world
- num_bbconfs(...) from builtins.PyCapsule
- num_bbconfs(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- num_states_for_aa_for_bb(...) from builtins.PyCapsule
- num_states_for_aa_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- num_states_for_bb(...) from builtins.PyCapsule
- num_states_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_int
- one_body_energies(...) from builtins.PyCapsule
- one_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- set_amino_acid_types(...) from builtins.PyCapsule
- set_amino_acid_types(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : rosetta.utility.vector1_int) -> NoneType
- set_closest_states_on_other_bbs(...) from builtins.PyCapsule
- set_closest_states_on_other_bbs(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : ObjexxFCL::FArray2D<int>) -> NoneType
- set_num_distinct_backbones(...) from builtins.PyCapsule
- set_num_distinct_backbones(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, nbbconfs : int) -> NoneType
- set_num_states_per_backbone(...) from builtins.PyCapsule
- set_num_states_per_backbone(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : rosetta.utility.vector1_int) -> NoneType
- state_has_same_backbone_as_current(...) from builtins.PyCapsule
- state_has_same_backbone_as_current(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> bool
- state_info(...) from builtins.PyCapsule
- state_info(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- state_offsets_for_aa_for_bb(...) from builtins.PyCapsule
- state_offsets_for_aa_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- state_offsets_for_bb(...) from builtins.PyCapsule
- state_offsets_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_int
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int, energy : float) -> NoneType
- write_current_state_to_state_array(...) from builtins.PyCapsule
- write_current_state_to_state_array(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, nodes_states : ObjexxFCL::FArray1<int>) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.NodeBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.NodeBase, edge_ptr : core::pack::interaction_graph::EdgeBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
- depth_first_connected_component_counting(...) from builtins.PyCapsule
- depth_first_connected_component_counting(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- drop_all_edges(...) from builtins.PyCapsule
- drop_all_edges(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- drop_edge(...) from builtins.PyCapsule
- drop_edge(self : rosetta.core.pack.interaction_graph.NodeBase, edge_iterator : std::_List_iterator<core::pack::interaction_graph::EdgeBase*>) -> NoneType
- edge_list_begin(...) from builtins.PyCapsule
- edge_list_begin(rosetta.core.pack.interaction_graph.NodeBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- edge_list_end(...) from builtins.PyCapsule
- edge_list_end(rosetta.core.pack.interaction_graph.NodeBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- find_edge(...) from builtins.PyCapsule
- find_edge(self : rosetta.core.pack.interaction_graph.NodeBase, other_node_index : int) -> core::pack::interaction_graph::EdgeBase
- get_adjacent_node(...) from builtins.PyCapsule
- get_adjacent_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
2. get_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_incident_edge(...) from builtins.PyCapsule
- get_incident_edge(*args, **kwargs)
Overloaded function.
1. get_incident_edge(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> core::pack::interaction_graph::EdgeBase
These functions are public for the sake of writing good unit tests
2. get_incident_edge(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> core::pack::interaction_graph::EdgeBase
- get_index_of_adjacent_node(...) from builtins.PyCapsule
- get_index_of_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> int
- get_node_index(...) from builtins.PyCapsule
- get_node_index(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_larger_indexed_nodes(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_smaller_indexed_nodes(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_incident_edges(...) from builtins.PyCapsule
- get_num_incident_edges(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_states(...) from builtins.PyCapsule
- get_num_states(rosetta.core.pack.interaction_graph.NodeBase) -> int
|
class OTFFlexbbEdge(FlexbbEdge) |
| |
- Method resolution order:
- OTFFlexbbEdge
- FlexbbEdge
- rosetta.core.pack.interaction_graph.EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge, owner : protocols::flexpack::interaction_graph::OTFFlexbbInteractionGraph, node1 : int, node2 : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- compute_altbbconf_alternate_state_energy(...) from builtins.PyCapsule
- compute_altbbconf_alternate_state_energy(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> float
- compute_samebbconf_alternate_state_energy_first_node(...) from builtins.PyCapsule
- compute_samebbconf_alternate_state_energy_first_node(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> float
- compute_samebbconf_alternate_state_energy_second_node(...) from builtins.PyCapsule
- compute_samebbconf_alternate_state_energy_second_node(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> int
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- otfedge_note_substitution_accepted(...) from builtins.PyCapsule
- otfedge_note_substitution_accepted(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- print_alt_energies(...) from builtins.PyCapsule
- print_alt_energies(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge) -> NoneType
- set_GlyCorrection_values(...) from builtins.PyCapsule
- set_GlyCorrection_values(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge, node_not_necessarily_glycine : int, state : int, other_bb : int, bb_nonglybb_E : float, bb_glybb_E : float, sc_nonglybb_E : float, sc_glybb_E : float) -> NoneType
- set_ProCorrection_values(...) from builtins.PyCapsule
- set_ProCorrection_values(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbEdge, node_not_necessarily_proline : int, state : int, other_bb : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
Methods inherited from FlexbbEdge:
- acknowledge_partial_state_assignment(...) from builtins.PyCapsule
- acknowledge_partial_state_assignment(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, node_index : int, new_state : int, state_info : rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex) -> NoneType
- alt_energy(...) from builtins.PyCapsule
- alt_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> float
- cur_energy(...) from builtins.PyCapsule
- cur_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> float
- get_nodes_from_same_flexseg(...) from builtins.PyCapsule
- get_nodes_from_same_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> bool
- note_state_substitution_accepted(...) from builtins.PyCapsule
- note_state_substitution_accepted(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> NoneType
Copy alt data to current data after a state substitution
- reset_alternate_states_for_uncommited_substitution(...) from builtins.PyCapsule
- reset_alternate_states_for_uncommited_substitution(rosetta.protocols.flexpack.interaction_graph.FlexbbEdge) -> NoneType
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
- set_alt_state(...) from builtins.PyCapsule
- set_alt_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbEdge, node_index : int, new_state : int, state_info : rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex) -> NoneType
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_
Methods inherited from rosetta.core.pack.interaction_graph.EdgeBase:
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.EdgeBase) -> NoneType
- edge_weight(...) from builtins.PyCapsule
- edge_weight(rosetta.core.pack.interaction_graph.EdgeBase) -> float
- get_first_node_ind(...) from builtins.PyCapsule
- get_first_node_ind(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- get_other_ind(...) from builtins.PyCapsule
- get_other_ind(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int) -> int
- get_other_node(...) from builtins.PyCapsule
- get_other_node(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_owner(...) from builtins.PyCapsule
- get_owner(*args, **kwargs)
Overloaded function.
1. get_owner(rosetta.core.pack.interaction_graph.EdgeBase) -> core::pack::interaction_graph::InteractionGraphBase
2. get_owner(rosetta.core.pack.interaction_graph.EdgeBase) -> core::pack::interaction_graph::InteractionGraphBase
- get_second_node_ind(...) from builtins.PyCapsule
- get_second_node_ind(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- same_edge(...) from builtins.PyCapsule
- same_edge(self : rosetta.core.pack.interaction_graph.EdgeBase, node1 : int, node2 : int) -> bool
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.EdgeBase, weight : float) -> NoneType
- set_pos_in_node_edgevector(...) from builtins.PyCapsule
- set_pos_in_node_edgevector(self : rosetta.core.pack.interaction_graph.EdgeBase, callers_index : int, position : int) -> NoneType
- set_pos_in_owners_list(...) from builtins.PyCapsule
- set_pos_in_owners_list(self : rosetta.core.pack.interaction_graph.EdgeBase, edge_iterator : std::_List_iterator<core::pack::interaction_graph::EdgeBase*>) -> NoneType
|
class OTFFlexbbInteractionGraph(FlexbbInteractionGraph) |
| |
- Method resolution order:
- OTFFlexbbInteractionGraph
- FlexbbInteractionGraph
- rosetta.core.pack.interaction_graph.InteractionGraphBase
- rosetta.core.pack.interaction_graph.AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> int
- debug_note_accepted_substitution(...) from builtins.PyCapsule
- debug_note_accepted_substitution(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> NoneType
- debug_note_considered_substitution(...) from builtins.PyCapsule
- debug_note_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, alt_rotamer : rosetta.core.conformation.Residue, index : int) -> NoneType
- debug_note_projected_deltaE_of_considered_substitution(...) from builtins.PyCapsule
- debug_note_projected_deltaE_of_considered_substitution(*args, **kwargs)
Overloaded function.
1. debug_note_projected_deltaE_of_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, deltaE : float, node_alt_total : float) -> NoneType
2. debug_note_projected_deltaE_of_considered_substitution(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, deltaE : float, node_alt_total : float, require_match : bool) -> NoneType
- debug_note_rejected_substitution(...) from builtins.PyCapsule
- debug_note_rejected_substitution(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> NoneType
- get_pose(...) from builtins.PyCapsule
- get_pose(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> rosetta.core.pose.Pose
Edges request the pose and the score function at the time of their creation.
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, node1 : int, node2 : int) -> NoneType
Informs the edge connecting nodes 1 and 2 that they require long range interactions.
Note -- the edge must already exist.
- set_GlyCorrection_values_for_edge(...) from builtins.PyCapsule
- set_GlyCorrection_values_for_edge(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, node1 : int, node2 : int, node_not_necessarily_glycine : int, state : int, other_bb : int, bb_nonglybb_E : float, bb_glybb_E : float, sc_nonglybb_E : float, sc_glybb_E : float) -> NoneType
- set_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- set_ProCorrection_values_for_edge(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, node1 : int, node2 : int, node_not_necessarily_proline : int, state : int, other_bb : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, pose : rosetta.core.pose.Pose) -> NoneType
Pose must be set before any edges are added to the graph.
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Score function must be set before any edges are added to the graph.
Methods inherited from FlexbbInteractionGraph:
- commit_considered_backbone_move(...) from builtins.PyCapsule
- commit_considered_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, rotamer_on_node : ObjexxFCL::FArray1<int>) -> float
- consider_backbone_move(...) from builtins.PyCapsule
- consider_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb_id : int, delta_energy : float, prev_flexseg_energy : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- consider_bbmove_w_state_substitution(...) from builtins.PyCapsule
- consider_bbmove_w_state_substitution(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_flexseg : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- flexseg_members(...) from builtins.PyCapsule
- flexseg_members(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg : int) -> rosetta.utility.vector1_unsigned_long
- get_accessible_states(...) from builtins.PyCapsule
- get_accessible_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, move_mode : rosetta.protocols.flexpack.interaction_graph.Subsitution, rotlist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_backbone_currently_assigned(...) from builtins.PyCapsule
- get_backbone_currently_assigned(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bbid : int) -> bool
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.
- get_backbone_list(...) from builtins.PyCapsule
- get_backbone_list(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bblist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, state : int) -> int
- get_enforce_bb_contiguity(...) from builtins.PyCapsule
- get_enforce_bb_contiguity(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> bool
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.
- get_flexseg_bb_offset(...) from builtins.PyCapsule
- get_flexseg_bb_offset(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg_id : int) -> int
- get_flexseg_for_bb(...) from builtins.PyCapsule
- get_flexseg_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb : int) -> int
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> int
- get_num_states_per_backbone_for_node(...) from builtins.PyCapsule
- get_num_states_per_backbone_for_node(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, bb : int) -> int
- increment_count_nodes_in_flexseg(...) from builtins.PyCapsule
- increment_count_nodes_in_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> NoneType
Owner keeps a count of the number of nodes undergoing a
simultaneous rotamer substitution as the backbone moves.
- nodes_from_same_flexseg(...) from builtins.PyCapsule
- nodes_from_same_flexseg(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node1 : int, node2 : int) -> bool
Data and other attributes inherited from FlexbbInteractionGraph:
- BOTH_SC_AND_BB = Subsitution.BOTH_SC_AND_BB
- SC_ONLY = Subsitution.SC_ONLY
- Subsitution = <class 'rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph.Subsitution'>
Methods inherited from rosetta.core.pack.interaction_graph.InteractionGraphBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> NoneType
- add_to_nodes_one_body_energy(...) from builtins.PyCapsule
- add_to_nodes_one_body_energy(*args, **kwargs)
Overloaded function.
1. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : rosetta.utility.vector1_float) -> NoneType
2. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
3. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, state_id : int, one_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesNode::add_to_nodes_one_body_energy
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_connected_components_and_initialize_vertex_groups(...) from builtins.PyCapsule
- count_connected_components_and_initialize_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- create_new_edge(...) from builtins.PyCapsule
- create_new_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index1 : int, index2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- create_new_node(...) from builtins.PyCapsule
- create_new_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, num_states : int) -> rosetta.core.pack.interaction_graph.NodeBase
- drop_all_edges_for_node(...) from builtins.PyCapsule
- drop_all_edges_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
- edge_list_iterator_at_end(...) from builtins.PyCapsule
- edge_list_iterator_at_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
test: have we arrived at the edge list end?
- find_edge(...) from builtins.PyCapsule
- find_edge(*args, **kwargs)
Overloaded function.
1. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
The following functions provide access to the nodes and edges in the graph
though, their use is strongly discouraged except for in writing unit tests
to ensure that the graphs are properly implemented.
2. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- getTotalMemoryUsage(...) from builtins.PyCapsule
- getTotalMemoryUsage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge(...) from builtins.PyCapsule
- get_edge(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> rosetta.core.pack.interaction_graph.EdgeBase
return a const reference to an edge pointed at by the list iterator
- get_edge_exists(...) from builtins.PyCapsule
- get_edge_exists(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> bool
- get_edge_list_begin(...) from builtins.PyCapsule
- get_edge_list_begin(*args, **kwargs)
Overloaded function.
1. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
2. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_list_end(...) from builtins.PyCapsule
- get_edge_list_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge_weight(...) from builtins.PyCapsule
- get_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> float
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, group_id : int) -> float
- get_node(...) from builtins.PyCapsule
- get_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_num_edges(...) from builtins.PyCapsule
- get_num_edges(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> int
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, state : int) -> float
- get_vertex_member_of_energy_sum_group(...) from builtins.PyCapsule
- get_vertex_member_of_energy_sum_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, group_id : int) -> bool
- increment_edge_list_iterator(...) from builtins.PyCapsule
- increment_edge_list_iterator(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
increment the (single) edge list iterator to the next element
- note_vertex_reached(...) from builtins.PyCapsule
- note_vertex_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
iterate across edges and nodes and allow them to prepare
for simulated annealing
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertex_groups(...) from builtins.PyCapsule
- print_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertices(...) from builtins.PyCapsule
- print_vertices(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- reset_edge_list_iterator_for_node(...) from builtins.PyCapsule
- reset_edge_list_iterator_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
set the Graph's (single) edge list iterator to the beginning of the edge list
for a particular node
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int, edge_weight : float) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_states : ObjexxFCL::FArray1<int>) -> float
- set_num_states_for_node(...) from builtins.PyCapsule
- set_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, num_states : int) -> NoneType
- set_number_of_energy_sum_vertex_groups(...) from builtins.PyCapsule
- set_number_of_energy_sum_vertex_groups(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, num_groups : int) -> NoneType
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, new_state : int) -> float
- set_vertex_member_of_group(...) from builtins.PyCapsule
- set_vertex_member_of_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, vertex : int, group : int) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, old_energy1b : ObjexxFCL::FArray1<float>, new_energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- vertex_already_reached(...) from builtins.PyCapsule
- vertex_already_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> bool
- zero_one_body_energies_for_node(...) from builtins.PyCapsule
- zero_one_body_energies_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.AnnealableGraphBase:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, : rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> rosetta.core.pack.interaction_graph.AnnealableGraphBase
|
class OTFFlexbbNode(FlexbbNode) |
| |
- Method resolution order:
- OTFFlexbbNode
- FlexbbNode
- rosetta.core.pack.interaction_graph.NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, : protocols::flexpack::interaction_graph::OTFFlexbbInteractionGraph, node_id : int, num_states : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- bounding_radius_for_rotamers(...) from builtins.PyCapsule
- bounding_radius_for_rotamers(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, aatype : int, bb : int) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode) -> int
- declare_all_rotamers_initialized(...) from builtins.PyCapsule
- declare_all_rotamers_initialized(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode) -> NoneType
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, index : int) -> rosetta.core.conformation.Residue
- rotamer_is_glycine(...) from builtins.PyCapsule
- rotamer_is_glycine(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, state : int) -> bool
- rotamer_is_proline(...) from builtins.PyCapsule
- rotamer_is_proline(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, state : int) -> bool
- set_rotamer(...) from builtins.PyCapsule
- set_rotamer(self : rosetta.protocols.flexpack.interaction_graph.OTFFlexbbNode, state : int, rotamer : rosetta.core.conformation.Residue) -> NoneType
Methods inherited from FlexbbNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int, energy : float) -> NoneType
- alt_bb(...) from builtins.PyCapsule
- alt_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- alternate_state(...) from builtins.PyCapsule
- alternate_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- alternate_state_info(...) from builtins.PyCapsule
- alternate_state_info(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- alternate_state_is_being_considered(...) from builtins.PyCapsule
- alternate_state_is_being_considered(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- alternate_state_one_body_energy(...) from builtins.PyCapsule
- alternate_state_one_body_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- alternate_state_total_energy(...) from builtins.PyCapsule
- alternate_state_total_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- alternate_state_two_body_energies(...) from builtins.PyCapsule
- alternate_state_two_body_energies(*args, **kwargs)
Overloaded function.
1. alternate_state_two_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
2. alternate_state_two_body_energies(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, ind : int) -> float
- closest_state_on_alt_bb(...) from builtins.PyCapsule
- closest_state_on_alt_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- count_energy_to_node_in_my_fragtotalE(...) from builtins.PyCapsule
- count_energy_to_node_in_my_fragtotalE(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, edge_index : int) -> bool
Convention for acumulating energies between flexsegmates during a backbone move:
The smaller-indexed node counts the interaction, the larger-indexed node does not.
- curr_bb(...) from builtins.PyCapsule
- curr_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- curr_state_one_body_energy(...) from builtins.PyCapsule
- curr_state_one_body_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- curr_state_total_energy(...) from builtins.PyCapsule
- curr_state_total_energy(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> float
- curr_state_two_body_energies(...) from builtins.PyCapsule
- curr_state_two_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
- current_state(...) from builtins.PyCapsule
- current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- current_state_info(...) from builtins.PyCapsule
- current_state_info(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- edge_connects_flexsegmate(...) from builtins.PyCapsule
- edge_connects_flexsegmate(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_bool
- getNumStatesPerAAPerBB(...) from builtins.PyCapsule
- getNumStatesPerAAPerBB(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, aa : int) -> ObjexxFCL::FArray1A<int>
- get_all_states(...) from builtins.PyCapsule
- get_all_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, rotlist : rosetta.utility.vector1_unsigned_long, offset : int) -> NoneType
- get_backbone_for_current_state(...) from builtins.PyCapsule
- get_backbone_for_current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_num_distinct_backbones(...) from builtins.PyCapsule
- get_num_distinct_backbones(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- get_num_states_for_aa_type_for_bb(...) from builtins.PyCapsule
- get_num_states_for_aa_type_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, aa_type : int, bb : int) -> int
- get_num_states_for_bb(...) from builtins.PyCapsule
- get_num_states_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, bbconf : int) -> int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> float
- get_state_offset_for_bb(...) from builtins.PyCapsule
- get_state_offset_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, bbconf : int) -> int
- get_states_on_curr_bb(...) from builtins.PyCapsule
- get_states_on_curr_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state_list : rosetta.utility.vector1_unsigned_long, offset : int) -> NoneType
- inform_edges_of_alt_state_before_bbjump(...) from builtins.PyCapsule
- inform_edges_of_alt_state_before_bbjump(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- num_aa_types(...) from builtins.PyCapsule
- num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
Read access to private data to both derived classes and the world
- num_bbconfs(...) from builtins.PyCapsule
- num_bbconfs(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> int
- num_states_for_aa_for_bb(...) from builtins.PyCapsule
- num_states_for_aa_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- num_states_for_bb(...) from builtins.PyCapsule
- num_states_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_int
- one_body_energies(...) from builtins.PyCapsule
- one_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- set_amino_acid_types(...) from builtins.PyCapsule
- set_amino_acid_types(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : rosetta.utility.vector1_int) -> NoneType
- set_closest_states_on_other_bbs(...) from builtins.PyCapsule
- set_closest_states_on_other_bbs(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : ObjexxFCL::FArray2D<int>) -> NoneType
- set_num_distinct_backbones(...) from builtins.PyCapsule
- set_num_distinct_backbones(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, nbbconfs : int) -> NoneType
- set_num_states_per_backbone(...) from builtins.PyCapsule
- set_num_states_per_backbone(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, : rosetta.utility.vector1_int) -> NoneType
- state_has_same_backbone_as_current(...) from builtins.PyCapsule
- state_has_same_backbone_as_current(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> bool
- state_info(...) from builtins.PyCapsule
- state_info(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int) -> rosetta.protocols.flexpack.interaction_graph.FlexbbSparseMatrixIndex
- state_offsets_for_aa_for_bb(...) from builtins.PyCapsule
- state_offsets_for_aa_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> ObjexxFCL::FArray2D<int>
- state_offsets_for_bb(...) from builtins.PyCapsule
- state_offsets_for_bb(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> rosetta.utility.vector1_int
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, state : int, energy : float) -> NoneType
- write_current_state_to_state_array(...) from builtins.PyCapsule
- write_current_state_to_state_array(self : rosetta.protocols.flexpack.interaction_graph.FlexbbNode, nodes_states : ObjexxFCL::FArray1<int>) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.protocols.flexpack.interaction_graph.FlexbbNode) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.NodeBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.NodeBase, edge_ptr : core::pack::interaction_graph::EdgeBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.NodeBase) -> int
- depth_first_connected_component_counting(...) from builtins.PyCapsule
- depth_first_connected_component_counting(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- drop_all_edges(...) from builtins.PyCapsule
- drop_all_edges(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- drop_edge(...) from builtins.PyCapsule
- drop_edge(self : rosetta.core.pack.interaction_graph.NodeBase, edge_iterator : std::_List_iterator<core::pack::interaction_graph::EdgeBase*>) -> NoneType
- edge_list_begin(...) from builtins.PyCapsule
- edge_list_begin(rosetta.core.pack.interaction_graph.NodeBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- edge_list_end(...) from builtins.PyCapsule
- edge_list_end(rosetta.core.pack.interaction_graph.NodeBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- find_edge(...) from builtins.PyCapsule
- find_edge(self : rosetta.core.pack.interaction_graph.NodeBase, other_node_index : int) -> core::pack::interaction_graph::EdgeBase
- get_adjacent_node(...) from builtins.PyCapsule
- get_adjacent_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
2. get_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_incident_edge(...) from builtins.PyCapsule
- get_incident_edge(*args, **kwargs)
Overloaded function.
1. get_incident_edge(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> core::pack::interaction_graph::EdgeBase
These functions are public for the sake of writing good unit tests
2. get_incident_edge(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> core::pack::interaction_graph::EdgeBase
- get_index_of_adjacent_node(...) from builtins.PyCapsule
- get_index_of_adjacent_node(self : rosetta.core.pack.interaction_graph.NodeBase, index : int) -> int
- get_node_index(...) from builtins.PyCapsule
- get_node_index(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_larger_indexed_nodes(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_smaller_indexed_nodes(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_incident_edges(...) from builtins.PyCapsule
- get_num_incident_edges(rosetta.core.pack.interaction_graph.NodeBase) -> int
- get_num_states(...) from builtins.PyCapsule
- get_num_states(rosetta.core.pack.interaction_graph.NodeBase) -> int
|
class PrecomputedFlexbbInteractionGraph(FlexbbInteractionGraph) |
| |
- Method resolution order:
- PrecomputedFlexbbInteractionGraph
- FlexbbInteractionGraph
- rosetta.core.pack.interaction_graph.InteractionGraphBase
- rosetta.core.pack.interaction_graph.AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
Methods inherited from FlexbbInteractionGraph:
- commit_considered_backbone_move(...) from builtins.PyCapsule
- commit_considered_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, rotamer_on_node : ObjexxFCL::FArray1<int>) -> float
- consider_backbone_move(...) from builtins.PyCapsule
- consider_backbone_move(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb_id : int, delta_energy : float, prev_flexseg_energy : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- consider_bbmove_w_state_substitution(...) from builtins.PyCapsule
- consider_bbmove_w_state_substitution(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_flexseg : float, valid_motion : bool, num_nodes_changing_state : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> int
- flexseg_members(...) from builtins.PyCapsule
- flexseg_members(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg : int) -> rosetta.utility.vector1_unsigned_long
- get_accessible_states(...) from builtins.PyCapsule
- get_accessible_states(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, move_mode : rosetta.protocols.flexpack.interaction_graph.Subsitution, rotlist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_backbone_currently_assigned(...) from builtins.PyCapsule
- get_backbone_currently_assigned(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bbid : int) -> bool
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.
- get_backbone_list(...) from builtins.PyCapsule
- get_backbone_list(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bblist : rosetta.utility.vector1_unsigned_long) -> NoneType
- get_bb_for_state(...) from builtins.PyCapsule
- get_bb_for_state(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, state : int) -> int
- get_enforce_bb_contiguity(...) from builtins.PyCapsule
- get_enforce_bb_contiguity(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> bool
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.
- get_flexseg_bb_offset(...) from builtins.PyCapsule
- get_flexseg_bb_offset(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, flexseg_id : int) -> int
- get_flexseg_for_bb(...) from builtins.PyCapsule
- get_flexseg_for_bb(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, bb : int) -> int
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> int
- get_num_states_per_backbone_for_node(...) from builtins.PyCapsule
- get_num_states_per_backbone_for_node(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node : int, bb : int) -> int
- increment_count_nodes_in_flexseg(...) from builtins.PyCapsule
- increment_count_nodes_in_flexseg(rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) -> NoneType
Owner keeps a count of the number of nodes undergoing a
simultaneous rotamer substitution as the backbone moves.
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- nodes_from_same_flexseg(...) from builtins.PyCapsule
- nodes_from_same_flexseg(self : rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph, node1 : int, node2 : int) -> bool
Data and other attributes inherited from FlexbbInteractionGraph:
- BOTH_SC_AND_BB = Subsitution.BOTH_SC_AND_BB
- SC_ONLY = Subsitution.SC_ONLY
- Subsitution = <class 'rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph.Subsitution'>
Methods inherited from rosetta.core.pack.interaction_graph.InteractionGraphBase:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> NoneType
- add_to_nodes_one_body_energy(...) from builtins.PyCapsule
- add_to_nodes_one_body_energy(*args, **kwargs)
Overloaded function.
1. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : rosetta.utility.vector1_float) -> NoneType
2. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
3. add_to_nodes_one_body_energy(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, state_id : int, one_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesNode::add_to_nodes_one_body_energy
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, one_body_energies : ObjexxFCL::FArray1<float>) -> NoneType
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_connected_components_and_initialize_vertex_groups(...) from builtins.PyCapsule
- count_connected_components_and_initialize_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- create_new_edge(...) from builtins.PyCapsule
- create_new_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index1 : int, index2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- create_new_node(...) from builtins.PyCapsule
- create_new_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, num_states : int) -> rosetta.core.pack.interaction_graph.NodeBase
- drop_all_edges_for_node(...) from builtins.PyCapsule
- drop_all_edges_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
- edge_list_iterator_at_end(...) from builtins.PyCapsule
- edge_list_iterator_at_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> bool
test: have we arrived at the edge list end?
- find_edge(...) from builtins.PyCapsule
- find_edge(*args, **kwargs)
Overloaded function.
1. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
The following functions provide access to the nodes and edges in the graph
though, their use is strongly discouraged except for in writing unit tests
to ensure that the graphs are properly implemented.
2. find_edge(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> rosetta.core.pack.interaction_graph.EdgeBase
- getTotalMemoryUsage(...) from builtins.PyCapsule
- getTotalMemoryUsage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge(...) from builtins.PyCapsule
- get_edge(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> rosetta.core.pack.interaction_graph.EdgeBase
return a const reference to an edge pointed at by the list iterator
- get_edge_exists(...) from builtins.PyCapsule
- get_edge_exists(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> bool
- get_edge_list_begin(...) from builtins.PyCapsule
- get_edge_list_begin(*args, **kwargs)
Overloaded function.
1. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_iterator<core::pack::interaction_graph::EdgeBase*>
2. get_edge_list_begin(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_list_end(...) from builtins.PyCapsule
- get_edge_list_end(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> std::_List_const_iterator<core::pack::interaction_graph::EdgeBase*>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_edge_weight(...) from builtins.PyCapsule
- get_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int) -> float
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, group_id : int) -> float
- get_node(...) from builtins.PyCapsule
- get_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, index : int) -> rosetta.core.pack.interaction_graph.NodeBase
- get_num_edges(...) from builtins.PyCapsule
- get_num_edges(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> int
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, state : int) -> float
- get_vertex_member_of_energy_sum_group(...) from builtins.PyCapsule
- get_vertex_member_of_energy_sum_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int, group_id : int) -> bool
- increment_edge_list_iterator(...) from builtins.PyCapsule
- increment_edge_list_iterator(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
increment the (single) edge list iterator to the next element
- note_vertex_reached(...) from builtins.PyCapsule
- note_vertex_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
iterate across edges and nodes and allow them to prepare
for simulated annealing
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertex_groups(...) from builtins.PyCapsule
- print_vertex_groups(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- print_vertices(...) from builtins.PyCapsule
- print_vertices(rosetta.core.pack.interaction_graph.InteractionGraphBase) -> NoneType
- reset_edge_list_iterator_for_node(...) from builtins.PyCapsule
- reset_edge_list_iterator_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> NoneType
set the Graph's (single) edge list iterator to the beginning of the edge list
for a particular node
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node1 : int, node2 : int, edge_weight : float) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_states : ObjexxFCL::FArray1<int>) -> float
- set_num_states_for_node(...) from builtins.PyCapsule
- set_num_states_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int, num_states : int) -> NoneType
- set_number_of_energy_sum_vertex_groups(...) from builtins.PyCapsule
- set_number_of_energy_sum_vertex_groups(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, num_groups : int) -> NoneType
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_ind : int, new_state : int) -> float
- set_vertex_member_of_group(...) from builtins.PyCapsule
- set_vertex_member_of_group(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, vertex : int, group : int) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, old_energy1b : ObjexxFCL::FArray1<float>, new_energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- vertex_already_reached(...) from builtins.PyCapsule
- vertex_already_reached(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node_index : int) -> bool
- zero_one_body_energies_for_node(...) from builtins.PyCapsule
- zero_one_body_energies_for_node(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, node : int) -> NoneType
Methods inherited from rosetta.core.pack.interaction_graph.AnnealableGraphBase:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, : rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> rosetta.core.pack.interaction_graph.AnnealableGraphBase
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