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- builtins.object
-
- AnnealableGraphBase
-
- InteractionGraphBase
-
- FixedBBInteractionGraph
-
- OnTheFlyInteractionGraph
-
- DoubleLazyInteractionGraph
- LazyInteractionGraph
- LinearMemoryInteractionGraph
- PrecomputedPairEnergiesInteractionGraph
-
- DensePDInteractionGraph
- DoubleDensePDInteractionGraph
- FASTERInteractionGraph
- PDInteractionGraph
- SymmOnTheFlyInteractionGraph
-
- SymmLinearMemoryInteractionGraph
- SymmMinimalistInteractionGraph
- MultiplexedAnnealableGraph
- ResidueArrayAnnealingEvaluator
- DotSphere
- EdgeBase
-
- FixedBBEdge
-
- OnTheFlyEdge
-
- DoubleLazyEdge
- LazyEdge
- LinearMemEdge
- PrecomputedPairEnergiesEdge
-
- DensePDEdge
- DoubleDensePDEdge
- FASTEREdge
- PDEdge
- SymmOnTheFlyEdge
-
- SymmLinearMemEdge
- SymmMinimalistEdge
- InteractionGraphFactory
- InvRotamerDots
- NodeBase
-
- FixedBBNode
-
- OnTheFlyNode
-
- DoubleLazyNode
- LazyNode
- LinearMemNode
- PrecomputedPairEnergiesNode
-
- DensePDNode
- DoubleDensePDNode
- FASTERNode
- PDNode
- SymmOnTheFlyNode
-
- SymmLinearMemNode
- SymmMinimalistNode
- ResiduePairEvalType
- RotamerDots
- RotamerDotsCache
- SparseMatrixIndex
- exposed_hydrophobic_data
- history_queue_struct
- rosetta.core.graph.Edge(builtins.object)
-
- SimpleEdge
- rosetta.core.graph.Graph(builtins.object)
-
- SimpleInteractionGraph
- rosetta.core.graph.Node(builtins.object)
-
- SimpleNode
- rosetta.core.scoring.methods.ContextDependentOneBodyEnergy(rosetta.core.scoring.methods.OneBodyEnergy)
-
- HPatchEnergy
- SurfaceEnergy
- rosetta.core.scoring.methods.EnergyMethodCreator(builtins.object)
-
- HPatchEnergyCreator
- SurfaceEnergyCreator
- rosetta.utility.SingletonBase_core_pack_interaction_graph_RotamerDotsRadiusData_t(builtins.object)
-
- RotamerDotsRadiusData
- rosetta.utility.SingletonBase_core_pack_interaction_graph_SurfacePotential_t(builtins.object)
-
- SurfacePotential
class AnnealableGraphBase(builtins.object) |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> NoneType
2. __init__(rosetta.core.pack.interaction_graph.AnnealableGraphBase, rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> bool
Is any state of any vertex unassigned?
Must be implemented by derived classes.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, : rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> rosetta.core.pack.interaction_graph.AnnealableGraphBase
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> NoneType
State initialization
Must be implemented by derived classes.
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> float
Accept a considered substitution (i.e. make the substitution permanent; commit it).
Must be implemented by derived classes.
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
Consider switching node "node_ind" to state "new_state".
Must be implemented by derived classes.
The node index.
The state index that we are considering switching TO.
The change in energy that results from the switch under consideration, computed by this function.
The energy of this node prior to the substitutio, returned by this function.
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> float
Get the energy resulting from the current set of state assignments.
Must be implemented by derived classes.
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> int
Get the number of nodes in the graph.
Must be implemented by derived classes.
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, node : int) -> int
Get the number of states for a node in the graph.
Must be implemented by derived classes.
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> int
Get the total number of states.
Must be implemented by derived classes.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.AnnealableGraphBase) -> NoneType
Utility signal.
Must be implemented by derived classes.
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, deltaE : float) -> NoneType
Set an error threshhold.
Must be implemented by derived classes.
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, node_states : ObjexxFCL::FArray1<int>) -> float
Explicit state modification for the network.
Must be implemented by derived classes.
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.AnnealableGraphBase, node_ind : int, new_state : int) -> float
Explicit state modification for a node.
Must be implemented by derived classes.
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class DensePDEdge(PrecomputedPairEnergiesEdge) |
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- Method resolution order:
- DensePDEdge
- PrecomputedPairEnergiesEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.DensePDEdge, node_ind : int, new_state : int, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.DensePDEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.DensePDEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int) -> NoneType
- add_to_two_body_energies(...) from builtins.PyCapsule
- add_to_two_body_energies(self : rosetta.core.pack.interaction_graph.DensePDEdge, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
- add_to_two_body_energy(...) from builtins.PyCapsule
- add_to_two_body_energy(self : rosetta.core.pack.interaction_graph.DensePDEdge, : int, : int, : float) -> NoneType
- clear_two_body_energy(...) from builtins.PyCapsule
- clear_two_body_energy(self : rosetta.core.pack.interaction_graph.DensePDEdge, : int, : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DensePDEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DensePDEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.DensePDEdge) -> NoneType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.DensePDEdge, : int, : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.DensePDEdge) -> NoneType
- get_aa_submatrix_energies(...) from builtins.PyCapsule
- get_aa_submatrix_energies(rosetta.core.pack.interaction_graph.DensePDEdge) -> ObjexxFCL::FArray2D<float>
return all energies on this edge...
- get_alternate_state_energy(...) from builtins.PyCapsule
- get_alternate_state_energy(first_node_state : int, second_node_state : int, edge_energy_table : rosetta.ObjexxFCL.FArray2_float_t) -> float
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.DensePDEdge) -> float
- get_edge_table_ptr(...) from builtins.PyCapsule
- get_edge_table_ptr(rosetta.core.pack.interaction_graph.DensePDEdge) -> ObjexxFCL::FArray2A<float>
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.DensePDEdge, : int, : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.DensePDEdge, : int, : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.DensePDEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DensePDEdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.DensePDEdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.DensePDEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
- set_two_body_energy(...) from builtins.PyCapsule
- set_two_body_energy(self : rosetta.core.pack.interaction_graph.DensePDEdge, : int, : int, : float) -> NoneType
- swap_edge_energies(...) from builtins.PyCapsule
- swap_edge_energies(self : rosetta.core.pack.interaction_graph.DensePDEdge, new_edge_table : ObjexxFCL::FArray2D<float>) -> NoneType
Methods inherited from 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 DensePDInteractionGraph(PrecomputedPairEnergiesInteractionGraph) |
| |
- Method resolution order:
- DensePDInteractionGraph
- PrecomputedPairEnergiesInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- 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.
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> bool
Override the InteractionGraphBase class's implementation of this function
to return 'true'.
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node_ind : int, node_state : int) -> int
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> float
Accepts (commits) the state change previously considered in a call to
consider_substitution and returns the energy of the entire graph
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> int
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> int
returns the number of floats used in all edge two-body energy tables
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> float
removes all accumulated numerical drift and returns the
energy for the current state assignment.
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, group_id : int) -> float
a user may define subsets of the vertex set for which they would like to
know the internal energy sum.
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.DensePDInteractionGraph) -> NoneType
outputs the current state for each node, useful for debugging
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node_ind : int, new_state : int) -> float
- swap_edge_energies(...) from builtins.PyCapsule
- swap_edge_energies(self : rosetta.core.pack.interaction_graph.DensePDInteractionGraph, node1 : int, node2 : int, new_edge_table : ObjexxFCL::FArray2D<float>) -> NoneType
Swap the contents of the edge pair-energy table with the contents in the new_edge_table
Methods inherited from PrecomputedPairEnergiesInteractionGraph:
- add_to_two_body_energies_for_edge(...) from builtins.PyCapsule
- add_to_two_body_energies_for_edge(*args, **kwargs)
Overloaded function.
1. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
interface for PrecomputedPairEnergiesEdge::add_to_two_body_energies
2. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
- clear_two_body_energy_for_edge(...) from builtins.PyCapsule
- clear_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> NoneType
interface to PDEdge::clear_two_body_energy
- declare_edge_energies_final(...) from builtins.PyCapsule
- declare_edge_energies_final(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int) -> NoneType
- set_two_body_energy_for_edge(...) from builtins.PyCapsule
- set_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PDEdge::set_two_body_energy
Methods inherited from FixedBBInteractionGraph:
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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 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 DensePDNode(PrecomputedPairEnergiesNode) |
| |
- Method resolution order:
- DensePDNode
- PrecomputedPairEnergiesNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.DensePDNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int) -> NoneType
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.DensePDNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.DensePDNode, state : int, energy : float) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.DensePDNode, new_state : int) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DensePDNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DensePDNode) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.DensePDNode) -> int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.DensePDNode, state : int) -> float
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.DensePDNode) -> float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.DensePDNode, alternate_state : int, prev_node_energy : float) -> float
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.DensePDNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.DensePDNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.DensePDNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.DensePDNode) -> NoneType
Methods inherited from 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 DotSphere(builtins.object) |
|
Represents the sphere of dots on the vdW surface of an atom, for use in the LeGrand and Merz method of calculating SASA.
For every atom in a protein, the vdW surface is patterned with dots. Each dot has to keep track of how many other
residues are "covering" this dot. So, that's 1 character for each dot. Each character is the count of the number of
residues overlapping with this dot. An assumption we're making here is that a single atom (or really, dot) will never
be covered by more than 255 residues.
In this implementation of the LeGrand and Merz algorithm, we're going to be using 162 dots per atom. Turns out that
you can distribute 162 dots evenly on the surface of a sphere.
This class is extremely simple. The RotamerDots class below does all the work of tying a particular residues atoms to
DotSpheres. As a matter of fact, DotSphere doesn't even know what atom it's representing. It just has the one C-style
array for the coverage count and that's it. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.interaction_graph.DotSphere) -> NoneType
2. __init__(self : rosetta.core.pack.interaction_graph.DotSphere, rhs : rosetta.core.pack.interaction_graph.DotSphere) -> NoneType
- __ne__(...) from builtins.PyCapsule
- __ne__(self : rosetta.core.pack.interaction_graph.DotSphere, rhs : rosetta.core.pack.interaction_graph.DotSphere) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.interaction_graph.DotSphere) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.DotSphere, rhs : rosetta.core.pack.interaction_graph.DotSphere) -> rosetta.core.pack.interaction_graph.DotSphere
- count_num_covered(...) from builtins.PyCapsule
- count_num_covered(rosetta.core.pack.interaction_graph.DotSphere) -> NoneType
- get_dot_covered(...) from builtins.PyCapsule
- get_dot_covered(self : rosetta.core.pack.interaction_graph.DotSphere, dot_index : int) -> bool
- get_num_covered(...) from builtins.PyCapsule
- get_num_covered(rosetta.core.pack.interaction_graph.DotSphere) -> int
- get_num_uncovered(...) from builtins.PyCapsule
- get_num_uncovered(rosetta.core.pack.interaction_graph.DotSphere) -> int
- get_total_dots(...) from builtins.PyCapsule
- get_total_dots(rosetta.core.pack.interaction_graph.DotSphere) -> int
- zero(...) from builtins.PyCapsule
- zero(rosetta.core.pack.interaction_graph.DotSphere) -> NoneType
|
class DoubleDensePDEdge(PrecomputedPairEnergiesEdge) |
| |
- Method resolution order:
- DoubleDensePDEdge
- PrecomputedPairEnergiesEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, node_ind : int, new_state : int, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int) -> NoneType
- add_to_two_body_energies(...) from builtins.PyCapsule
- add_to_two_body_energies(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
- add_to_two_body_energy(...) from builtins.PyCapsule
- add_to_two_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : int, : int, : float) -> NoneType
- clear_two_body_energy(...) from builtins.PyCapsule
- clear_two_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : int, : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> NoneType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : int, : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> NoneType
- get_alternate_state_energy(...) from builtins.PyCapsule
- get_alternate_state_energy(first_node_state : int, second_node_state : int, edge_energy_table : rosetta.ObjexxFCL.FArray2_float_t) -> float
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : int, : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : int, : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DoubleDensePDEdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
- set_two_body_energy(...) from builtins.PyCapsule
- set_two_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDEdge, : int, : int, : float) -> NoneType
Methods inherited from 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 DoubleDensePDInteractionGraph(PrecomputedPairEnergiesInteractionGraph) |
| |
- Method resolution order:
- DoubleDensePDInteractionGraph
- PrecomputedPairEnergiesInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- 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.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> float
Accepts (commits) the state change previously considered in a call to
consider_substitution and returns the energy of the entire graph
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> int
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> int
returns the number of floats used in all edge two-body energy tables
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> float
removes all accumulated numerical drift and returns the
energy for the current state assignment.
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, group_id : int) -> float
a user may define subsets of the vertex set for which they would like to
know the internal energy sum.
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph) -> NoneType
outputs the current state for each node, useful for debugging
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from PrecomputedPairEnergiesInteractionGraph:
- add_to_two_body_energies_for_edge(...) from builtins.PyCapsule
- add_to_two_body_energies_for_edge(*args, **kwargs)
Overloaded function.
1. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
interface for PrecomputedPairEnergiesEdge::add_to_two_body_energies
2. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
- clear_two_body_energy_for_edge(...) from builtins.PyCapsule
- clear_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> NoneType
interface to PDEdge::clear_two_body_energy
- declare_edge_energies_final(...) from builtins.PyCapsule
- declare_edge_energies_final(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int) -> NoneType
- set_two_body_energy_for_edge(...) from builtins.PyCapsule
- set_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PDEdge::set_two_body_energy
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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 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 DoubleDensePDNode(PrecomputedPairEnergiesNode) |
| |
- Method resolution order:
- DoubleDensePDNode
- PrecomputedPairEnergiesNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int) -> NoneType
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, state : int, energy : float) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, new_state : int) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, state : int) -> float
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, alternate_state : int, prev_node_energy : float) -> float
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.DoubleDensePDNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.DoubleDensePDNode) -> NoneType
Methods inherited from 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 DoubleLazyEdge(OnTheFlyEdge) |
| |
- Method resolution order:
- DoubleLazyEdge
- OnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_change(...) from builtins.PyCapsule
- acknowledge_partial_state_change(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- acknowledge_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int, nodes_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- actual_twobody_memory_use(...) from builtins.PyCapsule
- actual_twobody_memory_use(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> int
- build_sc_only_rotamer(...) from builtins.PyCapsule
- build_sc_only_rotamer(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> bool
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> NoneType
- drop_aa_submatrix(...) from builtins.PyCapsule
- drop_aa_submatrix(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, submat_ind : int) -> int
For use by the DoubleLazyInteractionGraph only; if the DLIG is in "memory conservation"
mode, then it may request that its edges drop certain amino acid submatrices which have not been activated
for a "long time." This function will cause an amino-acid submatrix to be dropped, and will return
the number of bytes that have been freed in the process. "const" but accesses mutable data
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> NoneType
- get_aa_submatrix_energies(...) from builtins.PyCapsule
- get_aa_submatrix_energies(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> float
- get_energy_following_partial_state_assignment(...) from builtins.PyCapsule
- get_energy_following_partial_state_assignment(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node1aa : int, node2aa : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node1state : int, node2state : int) -> float
- get_two_body_energy_smi(...) from builtins.PyCapsule
- get_two_body_energy_smi(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, node1state : int, node2state : int, node1info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, node2info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> int
- potential_twobody_memory_use(...) from builtins.PyCapsule
- potential_twobody_memory_use(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> NoneType
- print_current_energy(...) from builtins.PyCapsule
- print_current_energy(rosetta.core.pack.interaction_graph.DoubleLazyEdge) -> NoneType
- set_edge_index(...) from builtins.PyCapsule
- set_edge_index(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, index : int) -> NoneType
For use by the DoubleLazyInteractionGraph only;
sets the edge index for this edge -- this is an arbitrary
index, but is used to so that the DLIG can communicate back
and forth with this edge.
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.DoubleLazyEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
Methods inherited from OnTheFlyEdge:
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_ind : int, state : int) -> float
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- set_ProCorrection_values(...) from builtins.PyCapsule
- set_ProCorrection_values(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
Methods inherited from 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 DoubleLazyInteractionGraph(OnTheFlyInteractionGraph) |
|
The double lazy interaction graph is primarily useful for multistate design
where one is interested in knowing at particular edge, all of the rotamer pair energies
for a particular amino acid assignment.
The double lazy interaction graph is lazy in two ways: first, in delaying the computation
of rotamer pair energies until they are needed, and second, in delaying the allocation of
memory for rotamer pair energies until that memory is needed.
The DLIG will do one of two things once it allocates space for a block of rotamer pairs:
1) In its standard operating behavior, it will leave that space allocated until
the graph is destroyed, which means that the energies it stores in that block will never
be computed more than once; or
2) In its alternate operating behavior, the LMIG will deallocate some of those blocks
to make sure that it never uses more than some maximum amount of memory on RPEs. |
|
- Method resolution order:
- DoubleLazyInteractionGraph
- OnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, numNodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> bool
Override the FixedBBInteractionGraph class's implementation of this function
to return 'true'.
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, node_ind : int, node_state : int) -> int
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> int
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> int
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, group_id : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- note_submatrix_accessed(...) from builtins.PyCapsule
- note_submatrix_accessed(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, edge_index : int, submatrix_index : int) -> NoneType
For use only from the DoubleLazyEdge; the DLE will
report to the DLIG after it a rotamer pair energy submatrix
has been read from. The DLIG keeps track of how recently each
submatrix has been accessed to ensure that, when it does ask
an edge to drop a submatrix, the submatrix being dropped
is the one that was accessed most distantly in the past.
- note_submatrix_added(...) from builtins.PyCapsule
- note_submatrix_added(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, edge_index : int, submatrix_index : int, submatrix_size : int) -> NoneType
For use only from the DoubleLazyEdge; the DLE will report
to the DLIG after it adds a submatrix of rotamer pair energies
(that is, all the RPEs for a particular pair of amino acids)
that it has done so; the DLIG monitors the access and the memory
usage of the various submatrices in the graph, and may, during
this function call, request that various edges (possibly the one
invoking this function!) drop some of their submatrices.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, deltaE : float) -> NoneType
- set_memory_max_for_rpes(...) from builtins.PyCapsule
- set_memory_max_for_rpes(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, setting : int) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.DoubleLazyInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from OnTheFlyInteractionGraph:
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, state : int) -> float
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- set_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
Methods inherited from 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
- 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 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 DoubleLazyNode(OnTheFlyNode) |
| |
- Method resolution order:
- DoubleLazyNode
- OnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- aatype_for_state(...) from builtins.PyCapsule
- aatype_for_state(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, state : int) -> int
- acknowledge_neighbors_partial_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_partial_state_substitution(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, edge_to_altered_neighbor : int, other_node_new_ : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, new_state : int) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
- complete_state_assignment(...) from builtins.PyCapsule
- complete_state_assignment(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
- compute_pair_energy_for_current_state(...) from builtins.PyCapsule
- compute_pair_energy_for_current_state(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, edge_making_energy_request : int) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> int
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> float
- get_sparse_mat_info_for_curr_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_curr_state(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_totalE(...) from builtins.PyCapsule
- get_totalE(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> float
- partial_assign_state(...) from builtins.PyCapsule
- partial_assign_state(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, new_state : int) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.DoubleLazyNode, alternate_state : int, prev_node_energy : float) -> float
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.DoubleLazyNode) -> NoneType
Methods inherited from OnTheFlyNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, setting : bool) -> NoneType
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> int
- get_num_states_for_aa_type(...) from builtins.PyCapsule
- get_num_states_for_aa_type(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aa_type : int) -> int
- get_num_states_for_aa_types(...) from builtins.PyCapsule
- get_num_states_for_aa_types(*args, **kwargs)
Overloaded function.
1. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> float
- get_sparse_mat_info_for_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_state(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_state_offset_for_aatype(...) from builtins.PyCapsule
- get_state_offset_for_aatype(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aatype : int) -> int
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, rotamers : core::pack::rotamer_set::RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> NoneType
Methods inherited from 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 EdgeBase(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.EdgeBase, owner : core::pack::interaction_graph::InteractionGraphBase, 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.
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- 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 FASTEREdge(PrecomputedPairEnergiesEdge) |
| |
- Method resolution order:
- FASTEREdge
- PrecomputedPairEnergiesEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.core.pack.interaction_graph.FASTEREdge, node : int, new_state : int) -> NoneType
- acknowledge_participation_in_perturbation(...) from builtins.PyCapsule
- acknowledge_participation_in_perturbation(rosetta.core.pack.interaction_graph.FASTEREdge) -> NoneType
- acknowledge_perturbed_state(...) from builtins.PyCapsule
- acknowledge_perturbed_state(self : rosetta.core.pack.interaction_graph.FASTEREdge, node : int, neighbors_context_state : int) -> NoneType
- acknowledge_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.FASTEREdge, node_ind : int, new_state : int, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.FASTEREdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.FASTEREdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int) -> NoneType
- add_to_two_body_energies(...) from builtins.PyCapsule
- add_to_two_body_energies(self : rosetta.core.pack.interaction_graph.FASTEREdge, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
- add_to_two_body_energy(...) from builtins.PyCapsule
- add_to_two_body_energy(self : rosetta.core.pack.interaction_graph.FASTEREdge, : int, : int, : float) -> NoneType
- clear_two_body_energy(...) from builtins.PyCapsule
- clear_two_body_energy(self : rosetta.core.pack.interaction_graph.FASTEREdge, : int, : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.FASTEREdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.FASTEREdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.FASTEREdge) -> NoneType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.FASTEREdge, : int, : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.FASTEREdge) -> NoneType
- get_alternate_state_energy(...) from builtins.PyCapsule
- get_alternate_state_energy(first_node_state : int, second_node_state : int, edge_energy_table : rosetta.ObjexxFCL.FArray2_float_t) -> float
- get_curr_state_energy_following_partial_state_assignment(...) from builtins.PyCapsule
- get_curr_state_energy_following_partial_state_assignment(rosetta.core.pack.interaction_graph.FASTEREdge) -> float
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.FASTEREdge) -> float
- get_deltaE_for_neighbor_following_perturbation(...) from builtins.PyCapsule
- get_deltaE_for_neighbor_following_perturbation(self : rosetta.core.pack.interaction_graph.FASTEREdge, node_index : int) -> float
- get_deltaE_for_perturbation(...) from builtins.PyCapsule
- get_deltaE_for_perturbation(rosetta.core.pack.interaction_graph.FASTEREdge) -> float
- get_edge_table_ptr(...) from builtins.PyCapsule
- get_edge_table_ptr(rosetta.core.pack.interaction_graph.FASTEREdge) -> ObjexxFCL::FArray2A<float>
- get_energy_for_perturbed_state(...) from builtins.PyCapsule
- get_energy_for_perturbed_state(self : rosetta.core.pack.interaction_graph.FASTEREdge, node : int, nodes_perturbed_state : int) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FASTEREdge, : int, : int) -> bool
- get_two_body_energies_for_relaxed_states(...) from builtins.PyCapsule
- get_two_body_energies_for_relaxed_states(rosetta.core.pack.interaction_graph.FASTEREdge) -> float
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.FASTEREdge, : int, : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.FASTEREdge) -> int
- prepare_for_FASTER(...) from builtins.PyCapsule
- prepare_for_FASTER(rosetta.core.pack.interaction_graph.FASTEREdge) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.FASTEREdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.FASTEREdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FASTEREdge, : ObjexxFCL::FArray2<bool>) -> NoneType
- set_two_body_energy(...) from builtins.PyCapsule
- set_two_body_energy(self : rosetta.core.pack.interaction_graph.FASTEREdge, : int, : int, : float) -> NoneType
- swap_edge_energies(...) from builtins.PyCapsule
- swap_edge_energies(self : rosetta.core.pack.interaction_graph.FASTEREdge, new_edge_table : ObjexxFCL::FArray2D<float>) -> NoneType
Methods inherited from 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 FASTERInteractionGraph(PrecomputedPairEnergiesInteractionGraph) |
| |
- Method resolution order:
- FASTERInteractionGraph
- PrecomputedPairEnergiesInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- 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.
- assign_BMEC(...) from builtins.PyCapsule
- assign_BMEC(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> float
Accepts (commits) the state change previously considered in a call to
consider_substitution and returns the energy of the entire graph
- commit_relaxation(...) from builtins.PyCapsule
- commit_relaxation(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> int
- get_current_network_state(...) from builtins.PyCapsule
- get_current_network_state(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, netstate : ObjexxFCL::FArray1<int>) -> NoneType
- get_current_state_for_node(...) from builtins.PyCapsule
- get_current_state_for_node(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node_ind : int) -> int
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> int
returns the number of core::PackerEnergys used in all edge two-body energy tables
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> float
removes all accumulated numerical drift and returns the
energy for the current state assignment.
- get_energy_following_relaxation(...) from builtins.PyCapsule
- get_energy_following_relaxation(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, group_id : int) -> float
a user may define subsets of the vertex set for which they would like to
know the internal energy sum.
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node : int, state : int) -> float
- get_random_neighbor_for_node(...) from builtins.PyCapsule
- get_random_neighbor_for_node(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node : int) -> int
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- perturb_dBR_and_relax(...) from builtins.PyCapsule
- perturb_dBR_and_relax(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node1 : int, perturbed_state1 : int, node2 : int, perturbed_state2 : int) -> float
- perturb_sBR_and_relax(...) from builtins.PyCapsule
- perturb_sBR_and_relax(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node : int, perturbed_state : int) -> float
- prepare_for_FASTER(...) from builtins.PyCapsule
- prepare_for_FASTER(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
outputs the current state for each node, useful for debugging
- probabilistically_commit_relaxation(...) from builtins.PyCapsule
- probabilistically_commit_relaxation(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, probability : float) -> NoneType
- reject_perturbation(...) from builtins.PyCapsule
- reject_perturbation(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
- relax_in_current_context(...) from builtins.PyCapsule
- relax_in_current_context(rosetta.core.pack.interaction_graph.FASTERInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node_ind : int, new_state : int) -> float
- swap_edge_energies(...) from builtins.PyCapsule
- swap_edge_energies(self : rosetta.core.pack.interaction_graph.FASTERInteractionGraph, node1 : int, node2 : int, new_edge_table : ObjexxFCL::FArray2D<float>) -> NoneType
Swap the contents of the edge pair-energy table with the contents in the new_edge_table
Methods inherited from PrecomputedPairEnergiesInteractionGraph:
- add_to_two_body_energies_for_edge(...) from builtins.PyCapsule
- add_to_two_body_energies_for_edge(*args, **kwargs)
Overloaded function.
1. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
interface for PrecomputedPairEnergiesEdge::add_to_two_body_energies
2. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
- clear_two_body_energy_for_edge(...) from builtins.PyCapsule
- clear_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> NoneType
interface to PDEdge::clear_two_body_energy
- declare_edge_energies_final(...) from builtins.PyCapsule
- declare_edge_energies_final(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int) -> NoneType
- set_two_body_energy_for_edge(...) from builtins.PyCapsule
- set_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PDEdge::set_two_body_energy
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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 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 FASTERNode(PrecomputedPairEnergiesNode) |
| |
- Method resolution order:
- FASTERNode
- PrecomputedPairEnergiesNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_partial_state_assignment(...) from builtins.PyCapsule
- acknowledge_neighbors_partial_state_assignment(self : rosetta.core.pack.interaction_graph.FASTERNode, which_neighbor : int, neighbors_new_state : int) -> NoneType
- acknowledge_neighbors_perturbed_state(...) from builtins.PyCapsule
- acknowledge_neighbors_perturbed_state(self : rosetta.core.pack.interaction_graph.FASTERNode, which_neighbor : int, neighbors_perturbed_state : int) -> NoneType
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.FASTERNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int) -> NoneType
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.FASTERNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.FASTERNode, state : int, energy : float) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.FASTERNode, new_state : int) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- complete_partial_state_assignment(...) from builtins.PyCapsule
- complete_partial_state_assignment(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.FASTERNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.FASTERNode) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.FASTERNode) -> int
- get_deltaE_for_relaxed_state_following_perturbation(...) from builtins.PyCapsule
- get_deltaE_for_relaxed_state_following_perturbation(rosetta.core.pack.interaction_graph.FASTERNode) -> float
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.FASTERNode, state : int) -> float
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.FASTERNode) -> float
- get_one_body_energy_for_relaxed_state(...) from builtins.PyCapsule
- get_one_body_energy_for_relaxed_state(rosetta.core.pack.interaction_graph.FASTERNode) -> float
- get_random_neighbor(...) from builtins.PyCapsule
- get_random_neighbor(rosetta.core.pack.interaction_graph.FASTERNode) -> int
- get_relaxed_state(...) from builtins.PyCapsule
- get_relaxed_state(rosetta.core.pack.interaction_graph.FASTERNode) -> int
- get_total_energy_in_curr_state_assignment_for_all_states(...) from builtins.PyCapsule
- get_total_energy_in_curr_state_assignment_for_all_states(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- partial_assign_relaxed_state(...) from builtins.PyCapsule
- partial_assign_relaxed_state(self : rosetta.core.pack.interaction_graph.FASTERNode, probability : float) -> NoneType
- partial_assign_state(...) from builtins.PyCapsule
- partial_assign_state(self : rosetta.core.pack.interaction_graph.FASTERNode, state : int) -> NoneType
- partial_assign_state_with_lowest_one_body_energy(...) from builtins.PyCapsule
- partial_assign_state_with_lowest_one_body_energy(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- prep_for_neighbors_perturbation(...) from builtins.PyCapsule
- prep_for_neighbors_perturbation(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- prepare_for_FASTER(...) from builtins.PyCapsule
- prepare_for_FASTER(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- prepare_for_perturbation(...) from builtins.PyCapsule
- prepare_for_perturbation(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.FASTERNode, alternate_state : int, prev_node_energy : float) -> float
- relax(...) from builtins.PyCapsule
- relax(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- relax_after_neighbors_perturbation(...) from builtins.PyCapsule
- relax_after_neighbors_perturbation(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- relax_neighbors(...) from builtins.PyCapsule
- relax_neighbors(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- reset_relaxed(...) from builtins.PyCapsule
- reset_relaxed(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- reset_relaxed_for_neighbors(...) from builtins.PyCapsule
- reset_relaxed_for_neighbors(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- set_no_longer_perturbed(...) from builtins.PyCapsule
- set_no_longer_perturbed(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- set_perturbed_state(...) from builtins.PyCapsule
- set_perturbed_state(self : rosetta.core.pack.interaction_graph.FASTERNode, perturbed_state : int) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.FASTERNode) -> bool
- tell_neighbors_to_prep_for_relaxation(...) from builtins.PyCapsule
- tell_neighbors_to_prep_for_relaxation(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.FASTERNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.FASTERNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.FASTERNode) -> NoneType
Methods inherited from 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 FixedBBEdge(EdgeBase) |
| |
- Method resolution order:
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.FixedBBEdge, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.FixedBBEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.FixedBBEdge) -> NoneType
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FixedBBEdge, node1aa : int, node2aa : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.FixedBBEdge, : int, : int) -> float
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FixedBBEdge, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
Methods inherited from EdgeBase:
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- 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 FixedBBInteractionGraph(InteractionGraphBase) |
| |
- Method resolution order:
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> int
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- 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 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 FixedBBNode(NodeBase) |
| |
- Method resolution order:
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.FixedBBNode, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
Methods inherited from 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*>
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.NodeBase, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.NodeBase, state : int, energy : float) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.NodeBase) -> int
- 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
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.NodeBase) -> bool
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.NodeBase, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
|
class HPatchEnergy(rosetta.core.scoring.methods.ContextDependentOneBodyEnergy) |
|
Defines a (pseudo) context-dependent one-body surface energy. Really, this class
is only being used as a hack for the optE protocol so that the non-PD surface
energy can be optimized together with the other PD-terms.
The difference from this energy method from the plain SurfaceEnergy method is that
it calculates the patch area using methods in sasa.cc instead of using average
values. This new method also uses a new approach for finding which residues to include
in a patch, not just all residues within 10A. |
|
- Method resolution order:
- HPatchEnergy
- rosetta.core.scoring.methods.ContextDependentOneBodyEnergy
- rosetta.core.scoring.methods.OneBodyEnergy
- rosetta.core.scoring.methods.EnergyMethod
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.HPatchEnergy, : rosetta.core.pack.interaction_graph.HPatchEnergy) -> rosetta.core.pack.interaction_graph.HPatchEnergy
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pack.interaction_graph.HPatchEnergy) -> rosetta.core.scoring.methods.EnergyMethod
- finalize_total_energy(...) from builtins.PyCapsule
- finalize_total_energy(self : rosetta.core.pack.interaction_graph.HPatchEnergy, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
- indicate_required_context_graphs(...) from builtins.PyCapsule
- indicate_required_context_graphs(self : rosetta.core.pack.interaction_graph.HPatchEnergy, : rosetta.utility.vector1_bool) -> NoneType
- residue_energy(...) from builtins.PyCapsule
- residue_energy(self : rosetta.core.pack.interaction_graph.HPatchEnergy, rsd : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.scoring.EMapVector) -> NoneType
- setup_for_scoring(...) from builtins.PyCapsule
- setup_for_scoring(self : rosetta.core.pack.interaction_graph.HPatchEnergy, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
- version(...) from builtins.PyCapsule
- version(rosetta.core.pack.interaction_graph.HPatchEnergy) -> int
Methods inherited from rosetta.core.scoring.methods.ContextDependentOneBodyEnergy:
- method_type(...) from builtins.PyCapsule
- method_type(rosetta.core.scoring.methods.ContextDependentOneBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType
Returns the cd_1b element of the EnergyMethodType enumeration; this method
should NOT be overridden by derived classes.
Methods inherited from rosetta.core.scoring.methods.OneBodyEnergy:
- defines_dof_derivatives(...) from builtins.PyCapsule
- defines_dof_derivatives(self : rosetta.core.scoring.methods.OneBodyEnergy, p : rosetta.core.pose.Pose) -> bool
Use the dof_derivative interface for this energy method when
calculating derivatives? It is possible to define both dof_derivatives and
atom-derivatives; they are not mutually exclusive.
- defines_score_for_residue(...) from builtins.PyCapsule
- defines_score_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, : rosetta.core.conformation.Residue) -> bool
During minimization, energy methods are allowed to decide that they say nothing
about a particular residue (e.g. no non-zero energy) and as a result they will not be queried for
a derivative or an energy. The default behavior is to return "true" for all residues.
- eval_residue_derivatives(...) from builtins.PyCapsule
- eval_residue_derivatives(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : core::scoring::ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
Evaluate the derivatives for all atoms on this residue and increment them
into the input atom_derivs vector1. The calling function must guarantee that
setup for derivatives is called before this function is, and that the atom_derivs
vector contains at least as many entries as there are atoms in the input Residue.
This base class provides a default noop implementation of this function.
- eval_residue_dof_derivative(...) from builtins.PyCapsule
- eval_residue_dof_derivative(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : core::scoring::ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
Evaluate the DOF derivative for a particular residue. The Pose merely serves as context,
and the input residue is not required to be a member of the Pose.
- requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.OneBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine the residue before derivative evaluation begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested
in doing so.
- requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.OneBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine the residue before scoring begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested
in doing so.
- residue_energy_ext(...) from builtins.PyCapsule
- residue_energy_ext(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : core::scoring::ResSingleMinimizationData, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluate the one-body energies for a particular residue, in the context of a
given Pose, and with the help of a piece of cached data for minimization, increment those
one body energies into the input EnergyMap. The calling function must guarantee that this
EnergyMethod has had the opportunity to update the input ResSingleMinimizationData object
for the given residue in a call to setup_for_minimizing_for_residue before this function is
invoked. This function should not be called unless the use_extended_residue_energy_interface()
method returns "true". Default implementation provided by this base class calls
utility::exit(). The Pose merely serves as context, and the input residue is not required
to be a member of the Pose.
- setup_for_derivatives_for_residue(...) from builtins.PyCapsule
- setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : core::scoring::ResSingleMinimizationData) -> NoneType
Do any setup work necessary before evaluating the derivatives for this residue
- setup_for_minimizing_for_residue(...) from builtins.PyCapsule
- setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.kinematics.MinimizerMapBase, : core::scoring::ResSingleMinimizationData) -> NoneType
Called at the beginning of minimization, allowing this energy method to cache data
pertinent for a single residue in the the ResSingleMinimizationData that is used for a
particular residue in the context of a particular Pose. This base class provides a noop
implementation for this function if there is nothing that the derived class needs to perform
in this setup phase. The Pose merely serves as context, and the input residue is not
required to be a member of the Pose.
- setup_for_scoring_for_residue(...) from builtins.PyCapsule
- setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : core::scoring::ResSingleMinimizationData) -> NoneType
Do any setup work should the coordinates of this residue, who is still guaranteed to be
of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
as to possibly require some amount of setup work before scoring should proceed
- use_extended_residue_energy_interface(...) from builtins.PyCapsule
- use_extended_residue_energy_interface(rosetta.core.scoring.methods.OneBodyEnergy) -> bool
Rely on the extended version of the residue_energy function during score-function
evaluation in minimization? The extended version (below) takes a ResSingleMinimizationData.
Return 'true' for the extended version. The default method implemented in this class returns 'false'
Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
- defines_high_order_terms(...) from builtins.PyCapsule
- defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose) -> bool
Should this EnergyMethod have score and derivative evaluation
evaluated both in the context of the whole Pose and in the context
of residue or residue-pairs? This covers scoring terms like env-smooth
wherein the CBeta's get derivatives for increasing the neighbor counts
for surrounding residues, and terms like constraints, which are definable
on arbitrary number of residues (e.g. more than 2); both of these terms
could be used in RTMin, and both should use the residue and residue-pair
evaluation scheme with the MinimizationGraph for the majority of the
work they do. (Now, high-order constraints (3-body or above) will not
be properly evaluated within RTMin.). The default implementation
returns "false".
- eval_atom_derivative(...) from builtins.PyCapsule
- eval_atom_derivative(self : rosetta.core.scoring.methods.EnergyMethod, id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
Evaluate the XYZ derivative for an atom in the pose.
Called during the atomtree derivative calculation, atom_tree_minimize.cc,
through the ScoreFunction::eval_atom_derivative intermediary.
F1 and F2 should not zeroed, rather, this class should accumulate its contribution
from this atom's XYZ derivative
The derivative scheme is based on that of Abe, Braun, Noguti and Go (1984)
"Rapid Calculation of First and Second Derivatives of Conformational Energy with
Respect to Dihedral Angles for Proteins. General Recurrent Equations"
Computers & Chemistry 8(4) pp. 239-247. F1 and F2 correspond roughly to Fa and Ga,
respectively, of equations 7a & 7b in that paper.
- finalize_after_derivatives(...) from builtins.PyCapsule
- finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
called at the end of derivatives evaluation
- minimize_in_whole_structure_context(...) from builtins.PyCapsule
- minimize_in_whole_structure_context(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose) -> bool
Should this EnergyMethod have score and derivative evaluation
evaluated only in the context of the whole Pose, or can it be included
in a decomposed manner for a residue or a set of residue-pairs that are
not part of the Pose that's serving as their context? The default
method implemented in the base class returns true in order to grandfather
in EnergyMethods that have not had their derivatives changed to take
advantage of the new derivative-evaluation machinery. Methods that return
"true" will not have their residue-energy(-ext) / residue-pair-energy(-ext)
methods invoked by the ScoreFunction during its traversal of the
MinimizationGraph, and instead will be asked to perform all their work
during finalize_total_energies(). Similarly, they will be expected to
perform all their work during eval_atom_deriv() instead of during the
ScoreFunction's traversal of the MinimizationGraph for derivative evaluation.
IMPORTANT: Methods that return "true" cannot be included in RTMin.
- prepare_rotamers_for_packing(...) from builtins.PyCapsule
- prepare_rotamers_for_packing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.conformation.RotamerSetBase) -> NoneType
If an energy method needs to cache data in a packing::RotamerSet object before
rotamer energies are calculated, it does so during this function. The packer
must ensure this function is called. The default behavior is to do nothing.
- score_types(...) from builtins.PyCapsule
- score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
Returns the score types that this energy method computes.
- setup_for_derivatives(...) from builtins.PyCapsule
- setup_for_derivatives(self : rosetta.core.scoring.methods.EnergyMethod, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Called immediately before atom- and DOF-derivatives are calculated
allowing the derived class a chance to prepare for future calls.
- setup_for_minimizing(...) from builtins.PyCapsule
- setup_for_minimizing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
Called at the beginning of atom tree minimization, this method
allows the derived class the opportunity to initialize pertinent data
that will be used during minimization. During minimzation, the chemical
structure of the pose is constant, so assumptions on the number of atoms
per residue and their identities are safe so long as the pose's Energies
object's "use_nblist()" method returns true.
- setup_for_packing(...) from builtins.PyCapsule
- setup_for_packing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.utility.vector1_bool, : rosetta.utility.vector1_bool) -> NoneType
if an energy method needs to cache data in the Energies object,
before packing begins, then it does so during this function. The packer
must ensure this function is called. The default behavior is to do nothing.
- update_residue_for_packing(...) from builtins.PyCapsule
- update_residue_for_packing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, resid : int) -> NoneType
If the pose changes in the middle of a packing (as happens in rotamer trials) and if
an energy method needs to cache data in the pose that corresponds to its current state,
then the method must update that data when this function is called. The packer must
ensure this function gets called. The default behavior is to do nothing.
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class InteractionGraphBase(AnnealableGraphBase) |
| |
- Method resolution order:
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- 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
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- 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 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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class InteractionGraphFactory(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.core.pack.interaction_graph.InteractionGraphFactory) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- create_and_initialize_annealing_graph(...) from builtins.PyCapsule
- create_and_initialize_annealing_graph(packer_task : rosetta.core.pack.task.PackerTask, rotsets : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph) -> rosetta.core.pack.interaction_graph.AnnealableGraphBase
Create and initialize annealable graph for the given
pose, rotamer sets, packer task and score function. Initalizes
two-body interaction graph, as well as other annealable graphs
sepecified by the given score function and task.
Call only valid after:
Pose has been scored by scorefxn.
Pose residue neighbors updated.
ScoreFunction setup for packing.
Rotamer sets built.
- create_and_initialize_two_body_interaction_graph(...) from builtins.PyCapsule
- create_and_initialize_two_body_interaction_graph(packer_task : rosetta.core.pack.task.PackerTask, rotsets : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph) -> rosetta.core.pack.interaction_graph.InteractionGraphBase
Create and initialize two-body interaction graph for the given
pose, rotamer sets, packer task and score function.
Call only valid after:
Pose has been scored by scorefxn.
Pose residue neighbors updated.
ScoreFunction setup for packing.
Rotamer sets built.
- create_interaction_graph(...) from builtins.PyCapsule
- create_interaction_graph(packer_task : rosetta.core.pack.task.PackerTask, rotsets : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction) -> rosetta.core.pack.interaction_graph.InteractionGraphBase
Create appropiate InteractionGraph instance for given
packer task, rotamer set, and pose.
|
class InvRotamerDots(builtins.object) |
|
Used to determine whether the overlap between two atoms is buried or exposed. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.interaction_graph.InvRotamerDots) -> NoneType
2. __init__(self : rosetta.core.pack.interaction_graph.InvRotamerDots, src : rosetta.core.pack.interaction_graph.InvRotamerDots) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.InvRotamerDots, rhs : rosetta.core.pack.interaction_graph.InvRotamerDots) -> rosetta.core.pack.interaction_graph.InvRotamerDots
- atom_overlap_is_exposed(...) from builtins.PyCapsule
- atom_overlap_is_exposed(*args, **kwargs)
Overloaded function.
1. atom_overlap_is_exposed(self : rosetta.core.pack.interaction_graph.InvRotamerDots, at1 : int, at2 : int) -> bool
Is the intersection between two atoms on this inv-rotamer-dots object exposed?
2. atom_overlap_is_exposed(self : rosetta.core.pack.interaction_graph.InvRotamerDots, at_this : int, other : rosetta.core.pack.interaction_graph.InvRotamerDots, at_other : int) -> bool
Is the intersection between one atom on this inv-rotamer-dots object,
and one atom on another inv-rotamer-dots object exposed?
- dot_exposed(...) from builtins.PyCapsule
- dot_exposed(self : rosetta.core.pack.interaction_graph.InvRotamerDots, atomid : int, dot_index : int) -> bool
- rotamer(...) from builtins.PyCapsule
- rotamer(rosetta.core.pack.interaction_graph.InvRotamerDots) -> rosetta.core.conformation.Residue
- setup_from_rotamer_dots(...) from builtins.PyCapsule
- setup_from_rotamer_dots(*args, **kwargs)
Overloaded function.
1. setup_from_rotamer_dots(self : rosetta.core.pack.interaction_graph.InvRotamerDots, rdots : rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
2. setup_from_rotamer_dots(self : rosetta.core.pack.interaction_graph.InvRotamerDots, rdots : rosetta.core.pack.interaction_graph.RotamerDots, ats_to_update : rosetta.utility.vector1_unsigned_long) -> NoneType
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class LazyEdge(OnTheFlyEdge) |
| |
- Method resolution order:
- LazyEdge
- OnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_change(...) from builtins.PyCapsule
- acknowledge_partial_state_change(self : rosetta.core.pack.interaction_graph.LazyEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- acknowledge_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.LazyEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.LazyEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.LazyEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int, nodes_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- build_sc_only_rotamer(...) from builtins.PyCapsule
- build_sc_only_rotamer(rosetta.core.pack.interaction_graph.LazyEdge) -> bool
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.LazyEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.LazyEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.LazyEdge) -> NoneType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.LazyEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.LazyEdge) -> NoneType
- get_aa_submatrix_energies(...) from builtins.PyCapsule
- get_aa_submatrix_energies(self : rosetta.core.pack.interaction_graph.LazyEdge, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_alternate_state_energy_first_node(...) from builtins.PyCapsule
- get_alternate_state_energy_first_node(first_node_alt_state : int, second_node_orig_state : int, second_node_orig_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, first_node_state_offset_minus_1 : int, second_node_curr_num_states_per_aatype : int, aa_neighbor_offset : int, edge_energy_table : ObjexxFCL::FArray1<float>) -> float
- get_alternate_state_energy_second_node(...) from builtins.PyCapsule
- get_alternate_state_energy_second_node(first_node_orig_state : int, second_node_alt_state : int, first_node_orig_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, second_node_alternate_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, second_node_alt_state_num_states_per_aatype : int, aa_neighbor_offset : int, edge_energy_table : ObjexxFCL::FArray1<float>) -> float
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.LazyEdge) -> float
- get_edge_table_ptr(...) from builtins.PyCapsule
- get_edge_table_ptr(rosetta.core.pack.interaction_graph.LazyEdge) -> float
- get_energy_following_partial_state_assignment(...) from builtins.PyCapsule
- get_energy_following_partial_state_assignment(rosetta.core.pack.interaction_graph.LazyEdge) -> float
- get_offsets_for_aatypes(...) from builtins.PyCapsule
- get_offsets_for_aatypes(rosetta.core.pack.interaction_graph.LazyEdge) -> ObjexxFCL::FArray2D<int>
- get_second_node_num_states_per_aa(...) from builtins.PyCapsule
- get_second_node_num_states_per_aa(rosetta.core.pack.interaction_graph.LazyEdge) -> rosetta.utility.vector1_int
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.LazyEdge, node1aa : int, node2aa : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.LazyEdge, node1state : int, node2state : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.LazyEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.LazyEdge) -> NoneType
- print_current_energy(...) from builtins.PyCapsule
- print_current_energy(rosetta.core.pack.interaction_graph.LazyEdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.LazyEdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.LazyEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
- store_interaction_energy_first_node(...) from builtins.PyCapsule
- store_interaction_energy_first_node(second_node_orig_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, first_node_state_offset_minus_1 : int, second_node_curr_num_states_per_aatype : int, aa_neighbor_offset : int, edge_energy_table : ObjexxFCL::FArray1<float>, interaction_energy : float) -> NoneType
- store_interaction_energy_second_node(...) from builtins.PyCapsule
- store_interaction_energy_second_node(first_node_orig_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, second_node_alternate_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, second_node_alt_state_num_states_per_aatype : int, aa_neighbor_offset : int, edge_energy_table : ObjexxFCL::FArray1<float>, interaction_energy : float) -> NoneType
Methods inherited from OnTheFlyEdge:
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_ind : int, state : int) -> float
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- set_ProCorrection_values(...) from builtins.PyCapsule
- set_ProCorrection_values(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
Methods inherited from 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
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class LazyInteractionGraph(OnTheFlyInteractionGraph) |
| |
- Method resolution order:
- LazyInteractionGraph
- OnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, numNodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> bool
Override the FixedBBInteractionGraph class's implementation of this function
to return 'true'.
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, node_ind : int, node_state : int) -> int
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> int
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> int
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, group_id : int) -> float
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.LazyInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.LazyInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from OnTheFlyInteractionGraph:
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- set_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
Methods inherited from 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 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 LazyNode(OnTheFlyNode) |
| |
- Method resolution order:
- LazyNode
- OnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- aatype_for_state(...) from builtins.PyCapsule
- aatype_for_state(self : rosetta.core.pack.interaction_graph.LazyNode, state : int) -> int
- acknowledge_neighbors_partial_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_partial_state_substitution(self : rosetta.core.pack.interaction_graph.LazyNode, edge_to_altered_neighbor : int, other_node_new_ : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.LazyNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.LazyNode, new_state : int) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
- complete_state_assignment(...) from builtins.PyCapsule
- complete_state_assignment(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
- compute_pair_energy_for_current_state(...) from builtins.PyCapsule
- compute_pair_energy_for_current_state(self : rosetta.core.pack.interaction_graph.LazyNode, edge_making_energy_request : int) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.LazyNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.LazyNode) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.LazyNode) -> int
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.LazyNode) -> float
- get_sparse_mat_info_for_curr_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_curr_state(rosetta.core.pack.interaction_graph.LazyNode) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_totalE(...) from builtins.PyCapsule
- get_totalE(rosetta.core.pack.interaction_graph.LazyNode) -> float
- partial_assign_state(...) from builtins.PyCapsule
- partial_assign_state(self : rosetta.core.pack.interaction_graph.LazyNode, new_state : int) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.LazyNode, alternate_state : int, prev_node_energy : float) -> float
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.LazyNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.LazyNode) -> NoneType
Methods inherited from OnTheFlyNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, setting : bool) -> NoneType
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> int
- get_num_states_for_aa_type(...) from builtins.PyCapsule
- get_num_states_for_aa_type(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aa_type : int) -> int
- get_num_states_for_aa_types(...) from builtins.PyCapsule
- get_num_states_for_aa_types(*args, **kwargs)
Overloaded function.
1. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> float
- get_sparse_mat_info_for_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_state(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_state_offset_for_aatype(...) from builtins.PyCapsule
- get_state_offset_for_aatype(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aatype : int) -> int
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, rotamers : core::pack::rotamer_set::RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> NoneType
Methods inherited from 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 LinearMemEdge(OnTheFlyEdge) |
| |
- Method resolution order:
- LinearMemEdge
- OnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_change(...) from builtins.PyCapsule
- acknowledge_partial_state_change(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, bumped_recent_history_index : int, new_state_recent_history_index : int) -> NoneType
- acknowledge_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, bumped_recent_history_index : int, new_state_recent_history_index : int, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.LinearMemEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int, nodes_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, bumped_recent_history_index : int, new_state_recent_history_index : int, neighbors_curr_state : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.LinearMemEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.LinearMemEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.LinearMemEdge) -> NoneType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.LinearMemEdge) -> NoneType
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.LinearMemEdge) -> float
- get_energy_following_partial_state_assignment(...) from builtins.PyCapsule
- get_energy_following_partial_state_assignment(rosetta.core.pack.interaction_graph.LinearMemEdge) -> float
- get_energy_for_alt_state(...) from builtins.PyCapsule
- get_energy_for_alt_state(self : rosetta.core.pack.interaction_graph.LinearMemEdge, store_rpes : bool, changing_node_index : int, alternate_state : int, alternate_state_recent_history_index : int, other_node_curr_state : int, other_node_state_recent_history_index : int) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node1aa : int, node2aa : int) -> bool
- get_sparse_aa_neighbor_info(...) from builtins.PyCapsule
- get_sparse_aa_neighbor_info(rosetta.core.pack.interaction_graph.LinearMemEdge) -> ObjexxFCL::FArray2D<unsigned char>
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node1state : int, node2state : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.LinearMemEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.LinearMemEdge) -> NoneType
- print_current_energy(...) from builtins.PyCapsule
- print_current_energy(rosetta.core.pack.interaction_graph.LinearMemEdge) -> NoneType
- reset_state_energies(...) from builtins.PyCapsule
- reset_state_energies(self : rosetta.core.pack.interaction_graph.LinearMemEdge, node_index : int, state : int, recent_history_id : int) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.LinearMemEdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.LinearMemEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
Methods inherited from OnTheFlyEdge:
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_ind : int, state : int) -> float
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- set_ProCorrection_values(...) from builtins.PyCapsule
- set_ProCorrection_values(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
Methods inherited from 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 LinearMemNode(OnTheFlyNode) |
| |
- Method resolution order:
- LinearMemNode
- OnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_last_substititon_not_committed(...) from builtins.PyCapsule
- acknowledge_last_substititon_not_committed(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
update bookkeeping info to acknolwedge that the last alternative state considered was not
in fact chosen for the currently assigned state.
- acknowledge_neighbors_partial_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_partial_state_substitution(self : rosetta.core.pack.interaction_graph.LinearMemNode, edge_to_altered_neighbor : int, other_node_new_state : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, other_state_recent_history_index : int) -> NoneType
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.LinearMemNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, other_node_recent_history_index : int) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.LinearMemNode, new_state : int) -> NoneType
set to a particular state -- updates the energies internally
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
set to state 0
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
proceed to change the currently assigned state to the alternative state considered in
the last call to project_deltaE_for_substitution
- complete_state_assignment(...) from builtins.PyCapsule
- complete_state_assignment(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
second half of the entire-graph state assignment.
- compute_pair_energy_for_alternate_state(...) from builtins.PyCapsule
- compute_pair_energy_for_alternate_state(self : rosetta.core.pack.interaction_graph.LinearMemNode, edge_making_energy_request : int) -> float
comupute the interaction energy between the alternate state being considered on this residue and
the currently assigned state on a neighboring residue, identified by the index of the edge connecting
the two
- compute_pair_energy_for_current_state(...) from builtins.PyCapsule
- compute_pair_energy_for_current_state(self : rosetta.core.pack.interaction_graph.LinearMemNode, edge_making_energy_request : int) -> float
comupute the interaction energy between the currently assigned state on this residue and
the currently assigned state on a neighboring residue, identified by the index of the edge connecting
the two
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.LinearMemNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.LinearMemNode) -> int
- get_curr_state_recent_state_id(...) from builtins.PyCapsule
- get_curr_state_recent_state_id(rosetta.core.pack.interaction_graph.LinearMemNode) -> int
return the "recent state id" for the currently assigned state
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.LinearMemNode) -> int
return the index of the currently assigned state
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.LinearMemNode) -> float
return the one-body energy for the currently assigned state
- get_recent_history_size(...) from builtins.PyCapsule
- get_recent_history_size(rosetta.core.pack.interaction_graph.LinearMemNode) -> int
- get_sparse_mat_info_for_curr_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_curr_state(rosetta.core.pack.interaction_graph.LinearMemNode) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_totalE(...) from builtins.PyCapsule
- get_totalE(rosetta.core.pack.interaction_graph.LinearMemNode) -> float
return the total energy for this node; includes full energies to neighboring residues
- partial_assign_state(...) from builtins.PyCapsule
- partial_assign_state(self : rosetta.core.pack.interaction_graph.LinearMemNode, new_state : int) -> NoneType
first half of an entire-graph state assignment that avoids unnecessary energy updates
as produced in assign_state. Adjust all node's states first, then update all energies.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
linmem ig does not have to do anything before sim annealing begins
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
write internal energy and bookkeeping data to standard out
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.LinearMemNode, alternate_state : int, prev_node_energy : float) -> float
compute the change in energy induced by substituting the currently assigned state with
some alternative state
- set_recent_history_size(...) from builtins.PyCapsule
- set_recent_history_size(self : rosetta.core.pack.interaction_graph.LinearMemNode, num_states_to_maintain_in_recent_history : int) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.LinearMemNode) -> bool
state 0 represents the unasigned state
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.LinearMemNode) -> NoneType
Methods inherited from OnTheFlyNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, setting : bool) -> NoneType
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> int
- get_num_states_for_aa_type(...) from builtins.PyCapsule
- get_num_states_for_aa_type(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aa_type : int) -> int
- get_num_states_for_aa_types(...) from builtins.PyCapsule
- get_num_states_for_aa_types(*args, **kwargs)
Overloaded function.
1. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> float
- get_sparse_mat_info_for_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_state(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_state_offset_for_aatype(...) from builtins.PyCapsule
- get_state_offset_for_aatype(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aatype : int) -> int
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, rotamers : core::pack::rotamer_set::RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> NoneType
Methods inherited from 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 LinearMemoryInteractionGraph(OnTheFlyInteractionGraph) |
| |
- Method resolution order:
- LinearMemoryInteractionGraph
- OnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, numNodes : 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.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> int
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> int
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph, group_id : int) -> float
- get_recent_history_size(...) from builtins.PyCapsule
- get_recent_history_size(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_recent_history_size(...) from builtins.PyCapsule
- set_recent_history_size(self : rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph, recent_history_size : int) -> NoneType
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.LinearMemoryInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from OnTheFlyInteractionGraph:
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- set_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
Methods inherited from 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
- 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 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 MultiplexedAnnealableGraph(AnnealableGraphBase) |
| |
- Method resolution order:
- MultiplexedAnnealableGraph
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> NoneType
3. __init__(self : handle, target_subgraphs : rosetta.std.list_std_shared_ptr_core_pack_interaction_graph_AnnealableGraphBase_std_allocator_std_shared_ptr_core_pack_interaction_graph_AnnealableGraphBase_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> bool
Are any states unassigned?
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph, : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> NoneType
State initialization. Set all nodes to state zero.
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> float
Accept the considered substitution.
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
Consider a change in state at a particular node.
The node index.
The index of the state to which we're considering setting the node.
The computed change in energy that would result from the substitution.
The energy prior to the substituion, returned by this function.
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> float
Get the total energy from the current states of the nodes in the network.
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> int
Get the number of nodes in the graph.
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph, node : int) -> int
Get the number of states for a given node.
The index of the node.
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> int
Get the total number of states for all nodes in the graph.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph) -> NoneType
Utility signal.
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph, deltaE : float) -> NoneType
Set error thresshold.
Error thresshold value to set.
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph, node_states : ObjexxFCL::FArray1<int>) -> float
Set the states for the entire network.
A Fortran-style 1-array of state indices for all nodes in the network.
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.MultiplexedAnnealableGraph, node_ind : int, new_state : int) -> float
Explicit state modification: set node "node_ind" to state "new_state".
The index of the node.
The index of the state to which we're setting the node.
Data descriptors defined here:
- subgraphs
|
class NodeBase(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.NodeBase, : core::pack::interaction_graph::InteractionGraphBase, 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_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*>
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.NodeBase, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.NodeBase, state : int, energy : float) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.NodeBase) -> int
- 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
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.NodeBase) -> bool
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.NodeBase, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
|
class OnTheFlyEdge(FixedBBEdge) |
| |
- Method resolution order:
- OnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> int
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_ind : int, state : int) -> float
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> NoneType
- set_ProCorrection_values(...) from builtins.PyCapsule
- set_ProCorrection_values(self : rosetta.core.pack.interaction_graph.OnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.OnTheFlyEdge) -> bool
Methods inherited from FixedBBEdge:
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.FixedBBEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.FixedBBEdge) -> NoneType
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FixedBBEdge, node1aa : int, node2aa : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.FixedBBEdge, : int, : int) -> float
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FixedBBEdge, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
Methods inherited from EdgeBase:
- 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 OnTheFlyInteractionGraph(FixedBBInteractionGraph) |
| |
- Method resolution order:
- OnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- set_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.OnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
Methods inherited from 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_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 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 OnTheFlyNode(FixedBBNode) |
| |
- Method resolution order:
- OnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.core.pack.interaction_graph.OnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> int
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, setting : bool) -> NoneType
- get_num_aa_types(...) from builtins.PyCapsule
- get_num_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> int
- get_num_states_for_aa_type(...) from builtins.PyCapsule
- get_num_states_for_aa_type(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aa_type : int) -> int
- get_num_states_for_aa_types(...) from builtins.PyCapsule
- get_num_states_for_aa_types(*args, **kwargs)
Overloaded function.
1. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> rosetta.utility.vector1_int
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> float
- get_sparse_mat_info_for_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_state(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_state_offset_for_aatype(...) from builtins.PyCapsule
- get_state_offset_for_aatype(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, aatype : int) -> int
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, rotamers : core::pack::rotamer_set::RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.OnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.OnTheFlyNode, state : int) -> NoneType
Methods inherited from 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
- 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
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.NodeBase) -> bool
|
class PDEdge(PrecomputedPairEnergiesEdge) |
| |
- Method resolution order:
- PDEdge
- PrecomputedPairEnergiesEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.PDEdge, node_ind : int, new_state : int, new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.PDEdge, node_ind : int) -> NoneType
updates bookkeeping information when one of the two nodes enters its
"unassigned" state.
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.PDEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int, nodes_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- add_to_two_body_energies(...) from builtins.PyCapsule
- add_to_two_body_energies(self : rosetta.core.pack.interaction_graph.PDEdge, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
- add_to_two_body_energy(...) from builtins.PyCapsule
- add_to_two_body_energy(self : rosetta.core.pack.interaction_graph.PDEdge, : int, : int, : float) -> NoneType
- clear_two_body_energy(...) from builtins.PyCapsule
- clear_two_body_energy(self : rosetta.core.pack.interaction_graph.PDEdge, : int, : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.PDEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.PDEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.PDEdge) -> NoneType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.PDEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.PDEdge) -> NoneType
- get_aa_submatrix_energies(...) from builtins.PyCapsule
- get_aa_submatrix_energies(self : rosetta.core.pack.interaction_graph.PDEdge, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_alternate_state_energy_first_node(...) from builtins.PyCapsule
- get_alternate_state_energy_first_node(first_node_alt_state : int, second_node_orig_state : int, second_node_orig_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, first_node_state_offset_minus_1 : int, second_node_curr_num_states_per_aatype : int, aa_neighbor_offset : int, edge_energy_table : ObjexxFCL::FArray1<float>) -> float
- get_alternate_state_energy_second_node(...) from builtins.PyCapsule
- get_alternate_state_energy_second_node(first_node_orig_state : int, second_node_alt_state : int, first_node_orig_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, second_node_alternate_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex, second_node_alt_state_num_states_per_aatype : int, aa_neighbor_offset : int, edge_energy_table : ObjexxFCL::FArray1<float>) -> float
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.PDEdge) -> float
- get_edge_table_ptr(...) from builtins.PyCapsule
- get_edge_table_ptr(rosetta.core.pack.interaction_graph.PDEdge) -> float
- get_offsets_for_aatypes(...) from builtins.PyCapsule
- get_offsets_for_aatypes(rosetta.core.pack.interaction_graph.PDEdge) -> ObjexxFCL::FArray2D<int>
Returns the array of offsets into the sparse two-body energy table
for amino-acid neighbors. Used in transferring information from edges
onto nodes for cache efficiency.
- get_second_node_num_states_per_aa(...) from builtins.PyCapsule
- get_second_node_num_states_per_aa(rosetta.core.pack.interaction_graph.PDEdge) -> rosetta.utility.vector1_int
returns an FArray of the number of states for each amino acid type for the
higher-indexed node
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.PDEdge, node1aa : int, node2aa : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.PDEdge, : int, : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.PDEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.PDEdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.PDEdge, weight : float) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.PDEdge, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
- set_two_body_energy(...) from builtins.PyCapsule
- set_two_body_energy(self : rosetta.core.pack.interaction_graph.PDEdge, : int, : int, : float) -> NoneType
Methods inherited from 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 PDInteractionGraph(PrecomputedPairEnergiesInteractionGraph) |
| |
- Method resolution order:
- PDInteractionGraph
- PrecomputedPairEnergiesInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- 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.
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> bool
Override the InteractionGraphBase class's implementation of this function
to return 'true'.
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node_ind : int, node_state : int) -> int
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node1 : int, node2 : int) -> NoneType
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(*args, **kwargs)
Overloaded function.
1. commit_considered_substitution(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> float
2. commit_considered_substitution(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, weights : ObjexxFCL::FArray2D<float>) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(*args, **kwargs)
Overloaded function.
1. consider_substitution(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
2. consider_substitution(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node_ind : int, new_state : int, deltaE_unweighted : float, prevE_unweighted : float, deltaE_weighted : float, prevE_weighted : float, weights : ObjexxFCL::FArray2D<float>) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> int
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> int
older scheme for memory accounting -- replace this asap
returns the number of floats used in all edge two-body energy tables
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> float
@ brief O(1) total energy report. Protected read access for derived classes.
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, group_id : int) -> float
a user may define subsets of the vertex set for which they would like to
know the internal energy sum.
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> int
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node : int, state : int) -> float
- get_weighted_energy(...) from builtins.PyCapsule
- get_weighted_energy(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, weights : ObjexxFCL::FArray2D<float>) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.PDInteractionGraph) -> NoneType
outputs the current state for each node, useful for debugging
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(*args, **kwargs)
Overloaded function.
1. set_network_state(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
2. set_network_state(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node_states : ObjexxFCL::FArray1<int>, weights : ObjexxFCL::FArray2D<float>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.PDInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from PrecomputedPairEnergiesInteractionGraph:
- add_to_two_body_energies_for_edge(...) from builtins.PyCapsule
- add_to_two_body_energies_for_edge(*args, **kwargs)
Overloaded function.
1. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
interface for PrecomputedPairEnergiesEdge::add_to_two_body_energies
2. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
- clear_two_body_energy_for_edge(...) from builtins.PyCapsule
- clear_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> NoneType
interface to PDEdge::clear_two_body_energy
- declare_edge_energies_final(...) from builtins.PyCapsule
- declare_edge_energies_final(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int) -> NoneType
- set_two_body_energy_for_edge(...) from builtins.PyCapsule
- set_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PDEdge::set_two_body_energy
Methods inherited from FixedBBInteractionGraph:
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from InteractionGraphBase:
- 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 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 PDNode(PrecomputedPairEnergiesNode) |
| |
- Method resolution order:
- PDNode
- PrecomputedPairEnergiesNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- aatype_for_state(...) from builtins.PyCapsule
- aatype_for_state(self : rosetta.core.pack.interaction_graph.PDNode, state : int) -> int
return the amino acid type for a particular state -- this indexing is of course completely
arbitrary
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.PDNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int, other_node_new_state_sparse_info : rosetta.core.pack.interaction_graph.SparseMatrixIndex) -> NoneType
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.PDNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
adds all the energies in energies to the one-body energies for this node
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.PDNode, state : int, energy : float) -> NoneType
adds energy to the one-body energy for state state
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.PDNode, new_state : int) -> NoneType
assigns node a new_state
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
assigns node's state to it's zero, or "unassigned" state.
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.PDNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.PDNode) -> int
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.PDNode) -> int
returns the state the node is currently assigned
- get_num_states_for_aa_type(...) from builtins.PyCapsule
- get_num_states_for_aa_type(self : rosetta.core.pack.interaction_graph.PDNode, aa_type : int) -> int
- get_num_states_for_aa_types(...) from builtins.PyCapsule
- get_num_states_for_aa_types(rosetta.core.pack.interaction_graph.PDNode) -> rosetta.utility.vector1_int
returns an FArray & with the number of states for each amino acid type
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.PDNode, state : int) -> float
returns the one body energy for a state
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.PDNode) -> float
returns the one body energy for the state the node is currently assigned
- get_sparse_mat_info_for_curr_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_curr_state(rosetta.core.pack.interaction_graph.PDNode) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_sparse_mat_info_for_state(...) from builtins.PyCapsule
- get_sparse_mat_info_for_state(self : rosetta.core.pack.interaction_graph.PDNode, state : int) -> rosetta.core.pack.interaction_graph.SparseMatrixIndex
- get_weighted_energy_with_higher_indexed_nodes(...) from builtins.PyCapsule
- get_weighted_energy_with_higher_indexed_nodes(self : rosetta.core.pack.interaction_graph.PDNode, weights : ObjexxFCL::FArray2D<float>) -> float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
prepares node for simulated annealing
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
prints a description of the node and all of it's one-body energies
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(*args, **kwargs)
Overloaded function.
1. project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.PDNode, alternate_state : int, prev_node_energy : float) -> float
returns the change in energy that would be induced by switching this node
from its current state into another state
2. project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.PDNode, alternate_state : int, deltaE_unweighted : float, prevE_unweighted : float, deltaE_weighted : float, prevE_weighted : float, weights : ObjexxFCL::FArray2D<float>) -> NoneType
returns the change in weighted energy that would be induced
by switching this node from its current state into another state
- set_amino_acid_types(...) from builtins.PyCapsule
- set_amino_acid_types(self : rosetta.core.pack.interaction_graph.PDNode, : rosetta.std.vector_int) -> NoneType
sets the amino acid type for each state
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.PDNode) -> bool
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
- update_one_body_energies(...) from builtins.PyCapsule
- update_one_body_energies(self : rosetta.core.pack.interaction_graph.PDNode, energies : ObjexxFCL::FArray1<float>) -> NoneType
set all the one-body energies for this node
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.PDNode, state : int, energy : float) -> NoneType
update energy to the one-body energy for state
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.PDNode) -> NoneType
Methods inherited from 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 PrecomputedPairEnergiesEdge(FixedBBEdge) |
| |
- Method resolution order:
- PrecomputedPairEnergiesEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesEdge, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- add_to_two_body_energies(...) from builtins.PyCapsule
- add_to_two_body_energies(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesEdge, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
- add_to_two_body_energy(...) from builtins.PyCapsule
- add_to_two_body_energy(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesEdge, : int, : int, : float) -> NoneType
- clear_two_body_energy(...) from builtins.PyCapsule
- clear_two_body_energy(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesEdge, : int, : int) -> NoneType
- set_two_body_energy(...) from builtins.PyCapsule
- set_two_body_energy(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesEdge, : int, : int, : float) -> NoneType
Methods inherited from FixedBBEdge:
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.FixedBBEdge, node1aa : int, node2aa : int) -> NoneType
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.FixedBBEdge) -> NoneType
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FixedBBEdge, node1aa : int, node2aa : int) -> bool
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.FixedBBEdge, : int, : int) -> float
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.FixedBBEdge, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
Methods inherited from EdgeBase:
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.EdgeBase) -> int
- 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 PrecomputedPairEnergiesInteractionGraph(FixedBBInteractionGraph) |
| |
- Method resolution order:
- PrecomputedPairEnergiesInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_to_two_body_energies_for_edge(...) from builtins.PyCapsule
- add_to_two_body_energies_for_edge(*args, **kwargs)
Overloaded function.
1. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, res_res_energy_array : rosetta.ObjexxFCL.FArray2_float_t) -> NoneType
interface for PrecomputedPairEnergiesEdge::add_to_two_body_energies
2. add_to_two_body_energies_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
- clear_two_body_energy_for_edge(...) from builtins.PyCapsule
- clear_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> NoneType
interface to PDEdge::clear_two_body_energy
- declare_edge_energies_final(...) from builtins.PyCapsule
- declare_edge_energies_final(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int) -> NoneType
- set_two_body_energy_for_edge(...) from builtins.PyCapsule
- set_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int, two_body_energy : float) -> NoneType
interface to PDEdge::set_two_body_energy
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> int
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.InteractionGraphBase, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- 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 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 PrecomputedPairEnergiesNode(FixedBBNode) |
| |
- Method resolution order:
- PrecomputedPairEnergiesNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.PrecomputedPairEnergiesNode, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
Methods inherited from 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*>
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.NodeBase, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.NodeBase, state : int, energy : float) -> NoneType
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.NodeBase) -> int
- 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
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.NodeBase) -> bool
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.NodeBase, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
|
class ResidueArrayAnnealingEvaluator(AnnealableGraphBase) |
| |
- Method resolution order:
- ResidueArrayAnnealingEvaluator
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- any_vertex_state_unassigned(...) from builtins.PyCapsule
- any_vertex_state_unassigned(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> bool
Are there any nodes unassigned?
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator
- blanket_assign_state_0(...) from builtins.PyCapsule
- blanket_assign_state_0(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> NoneType
State initialization: set all nodes to state zero.
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> float
Set the node that we were considering to the state that we were considering (i.e. commit the change).
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
Consider setting a particular node to a particular state.
Index of the node to be potentially modified.
Index of the state that we might set this node to.
The change in energy that would result from the substitution, returned by this function.
The previous energy for this node, prior to the substitution, returned by this function.
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> float
Get the energy fo the current state.
- get_num_nodes(...) from builtins.PyCapsule
- get_num_nodes(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> int
Get the number of nodes.
This lies a little bit. It only returns the number of independent nodes.
- get_num_states_for_node(...) from builtins.PyCapsule
- get_num_states_for_node(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, node : int) -> int
Get the number of states for a specific node.
Index of the node.
- get_num_total_states(...) from builtins.PyCapsule
- get_num_total_states(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> int
Get the total number of states for all nodes.
This lies a little bit. It only returns the total number of states for the independent nodes.
- has_methods(...) from builtins.PyCapsule
- has_methods(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> bool
Do any energy methods have a nonzero weight?
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, score_function : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, rotamer_sets : rosetta.core.pack.rotamer_set.RotamerSets, : rosetta.core.graph.Graph) -> NoneType
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator) -> NoneType
Utility signal.
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, deltaE : float) -> NoneType
Set error threshold.
Error threshold value to set.
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, node_states : ObjexxFCL::FArray1<int>) -> float
Set states for all nodes across the network.
Fortran-style 1-array of state indices for all nodes in the network.
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.ResidueArrayAnnealingEvaluator, node_ind : int, new_state : int) -> float
Explicit state modification: set a particular node to a particular state.
Index of the node to modify.
Index of the state that we're setting this node TO.
|
class RotamerDots(builtins.object) |
|
Handles sphere-sphere overlap calculations for the HPatchInteractionGraph.
One big change from the r++ version of this class is that this class now includes all of the information that was
previously stored in the RotamerCoords class. Since I'm not storing atoms in trie ordering (perhaps I'll add this
later), there is no need to have a separate class for the rotamer coordinates.
RotamerDots hold DotSphere objects for the atoms of a given Residue (or really, of the current state on some interaction
graph Node). Default use of the class will result in RotamerDots objects keeping DotSpheres for every atom of a residue.
For the hpatch interaction graph, though, we only care about the SASA of the heavy atoms. No need to include the
hydrogens when looking for hydrophobic patches. By not keeping track of the hydrogens, we save a huge amount of time
on computing updates to the SASA score because hydrogen atoms generally make up half of a protein. So I'm adding a
boolean flag to the non-default constructor which toggles whether we're tracking SASA of all atoms, or just the heavy
atoms.
Two other big changes being made to this class are that 1) the class will now keep track of two kinds of SASA and
2) it will no longer keep score or score_is_current variables. The two kinds of SASA the class will keep track of
are the standard SASA, and a SASA with polar atom radii extended. The expanded polar SASA will only be kept if a
boolean flag is set at construct time. If not, it will just calculate standard SASA and that's it. The second
change is that this class is now only keeping track of SASA. RotamerDots objects will not be responsible for calculating
a score. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
2. __init__(rosetta.core.pack.interaction_graph.RotamerDots, rosetta.core.conformation.Residue) -> NoneType
doc
3. __init__(rosetta.core.pack.interaction_graph.RotamerDots, rosetta.core.conformation.Residue, bool) -> NoneType
doc
4. __init__(self : rosetta.core.pack.interaction_graph.RotamerDots, rotamer : rosetta.core.conformation.Residue, exclude_hydrogen_atoms : bool, use_expanded_polar_atom_radii : bool) -> NoneType
5. __init__(self : rosetta.core.pack.interaction_graph.RotamerDots, rhs : rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
- __ne__(...) from builtins.PyCapsule
- __ne__(self : rosetta.core.pack.interaction_graph.RotamerDots, rhs : rosetta.core.pack.interaction_graph.RotamerDots) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.interaction_graph.RotamerDots) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.RotamerDots, rhs : rosetta.core.pack.interaction_graph.RotamerDots) -> rosetta.core.pack.interaction_graph.RotamerDots
- copy(...) from builtins.PyCapsule
- copy(self : rosetta.core.pack.interaction_graph.RotamerDots, rhs : rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
- decrement_from_cached(...) from builtins.PyCapsule
- decrement_from_cached(self : rosetta.core.pack.interaction_graph.RotamerDots, cached_dot_overlap : core::pack::interaction_graph::RotamerDotsCache) -> NoneType
- dot_coord(...) from builtins.PyCapsule
- dot_coord(index : int) -> rosetta.numeric.xyzVector_double_t
- get_atom_coords_xyz(...) from builtins.PyCapsule
- get_atom_coords_xyz(self : rosetta.core.pack.interaction_graph.RotamerDots, atom_index : int) -> rosetta.numeric.xyzVector_double_t
- get_atom_counts(...) from builtins.PyCapsule
- get_atom_counts(rosetta.core.pack.interaction_graph.RotamerDots) -> rosetta.utility.vector1_core_pack_interaction_graph_DotSphere
- get_atom_radius(...) from builtins.PyCapsule
- get_atom_radius(self : rosetta.core.pack.interaction_graph.RotamerDots, atom_index : int) -> float
- get_atom_sasa(...) from builtins.PyCapsule
- get_atom_sasa(self : rosetta.core.pack.interaction_graph.RotamerDots, atom_index : int) -> float
- get_num_atoms(...) from builtins.PyCapsule
- get_num_atoms(rosetta.core.pack.interaction_graph.RotamerDots) -> int
- get_num_covered_total(...) from builtins.PyCapsule
- get_num_covered_total(rosetta.core.pack.interaction_graph.RotamerDots) -> int
- get_num_uncovered(...) from builtins.PyCapsule
- get_num_uncovered(self : rosetta.core.pack.interaction_graph.RotamerDots, atom : int) -> int
- get_radii(...) from builtins.PyCapsule
- get_radii(rosetta.core.pack.interaction_graph.RotamerDots) -> rosetta.utility.vector1_double
- get_sasa(...) from builtins.PyCapsule
- get_sasa(rosetta.core.pack.interaction_graph.RotamerDots) -> float
- increment_both(...) from builtins.PyCapsule
- increment_both(self : rosetta.core.pack.interaction_graph.RotamerDots, other : rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
- increment_both_and_cache(...) from builtins.PyCapsule
- increment_both_and_cache(self : rosetta.core.pack.interaction_graph.RotamerDots, other_rotamer : rosetta.core.pack.interaction_graph.RotamerDots, others_dots_covered_by_this : core::pack::interaction_graph::RotamerDotsCache, this_dots_covered_by_other : core::pack::interaction_graph::RotamerDotsCache, atom_atom_overlaps_cache : rosetta.utility.vector1_utility_vector1_bool_std_allocator_bool_t) -> NoneType
- increment_from_cached(...) from builtins.PyCapsule
- increment_from_cached(self : rosetta.core.pack.interaction_graph.RotamerDots, cached_dot_overlap : core::pack::interaction_graph::RotamerDotsCache) -> NoneType
- increment_self_overlap(...) from builtins.PyCapsule
- increment_self_overlap(rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
- increment_this_and_cache(...) from builtins.PyCapsule
- increment_this_and_cache(self : rosetta.core.pack.interaction_graph.RotamerDots, other : rosetta.core.pack.interaction_graph.RotamerDots, this_overlap_on_other : core::pack::interaction_graph::RotamerDotsCache, atom_atom_overlaps_cache : rosetta.utility.vector1_utility_vector1_bool_std_allocator_bool_t) -> NoneType
- max_atom_radius(...) from builtins.PyCapsule
- max_atom_radius(rosetta.core.pack.interaction_graph.RotamerDots) -> float
- name3(...) from builtins.PyCapsule
- name3(rosetta.core.pack.interaction_graph.RotamerDots) -> str
- overlaps(...) from builtins.PyCapsule
- overlaps(self : rosetta.core.pack.interaction_graph.RotamerDots, other : rosetta.core.pack.interaction_graph.RotamerDots) -> bool
- radius_for_attype(...) from builtins.PyCapsule
- radius_for_attype(self : rosetta.core.pack.interaction_graph.RotamerDots, attype_index : int) -> float
- rotamer(...) from builtins.PyCapsule
- rotamer(rosetta.core.pack.interaction_graph.RotamerDots) -> rosetta.core.conformation.Residue
- seqpos(...) from builtins.PyCapsule
- seqpos(rosetta.core.pack.interaction_graph.RotamerDots) -> int
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.RotamerDots) -> bool
- zero(...) from builtins.PyCapsule
- zero(rosetta.core.pack.interaction_graph.RotamerDots) -> NoneType
|
class RotamerDotsRadiusData(rosetta.utility.SingletonBase_core_pack_interaction_graph_RotamerDotsRadiusData_t) |
|
A singleton class which reads in database SASA radii files and provides accessors for those values to the RotamerDots class.
The RotamerDots class keeps track of the SASA of some rotamer using DotSphere objects and lots of get overlap calls
on atoms. The SASA of a given atom (or residue) depends on what radii are used for the atoms. Different program use
different sets of radii, and for the hpatch score, the polar atom radii are expanded. Previously RotamerDots objects
would have a static vector member variable that represented the particular set of radii being used. It would also have
a second static vector member variable that represented the expanded polar version of the radii. So, no matter how
many instances of RotamerDots objects we created, we only maintained two vectors for the radii.
Now, we want to make the RotamerDots class only use one set of radii for the hpatch score: the expanded polar radii.
The super easy solution would be to remove all the logic that keeps track of SASA when using the standard radii and
make the RotamerDots class only calculate that kind of SASA. But, there will probably be more uses in the future
for a RotamerDots class that can calculate SASA with a standard set of radii than with the expanded polar ones. So, that's
where this class comes in. It will read in database files, depending on which set of radii are requested and provide
access to that data in some way.
Let's say we have to create RotamerDots objects for two different sets of SASA radii. When those objects are constructed
a pointer to the right set of radii will have to be set. Definitely don't want to copy/store the radii to each instance.
If I make it a pointer to this class, then it would only work for one set of radii. So at RotamerDots construct time
we have to ask this class to give us a pointer to the set of radii that are requested. Then only one instance of this
class exists, and all RotamerDots objects have pointers set to the radii they care about. What would this change in
the RotamerDots API? The get_radius() function would dereference the pointer and index into the vector to get the
right radius. This structure is similar to how the ChemicalManager works. But, in that class, the functions return
AtomTypeSet objects. |
|
- Method resolution order:
- RotamerDotsRadiusData
- rosetta.utility.SingletonBase_core_pack_interaction_graph_RotamerDotsRadiusData_t
- 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.
- get_NACCESS_SASA_radii(...) from builtins.PyCapsule
- get_NACCESS_SASA_radii(rosetta.core.pack.interaction_graph.RotamerDotsRadiusData) -> rosetta.utility.vector1_double
return a pointer to the SASA radii used by NACCESS
- get_NACCESS_SASA_radii_with_expanded_polars(...) from builtins.PyCapsule
- get_NACCESS_SASA_radii_with_expanded_polars(rosetta.core.pack.interaction_graph.RotamerDotsRadiusData) -> rosetta.utility.vector1_double
return a pointer to the SASA radii used by NACCESS, with polar atom radii expanded
- get_ROSETTA_SASA_radii(...) from builtins.PyCapsule
- get_ROSETTA_SASA_radii(rosetta.core.pack.interaction_graph.RotamerDotsRadiusData) -> rosetta.utility.vector1_double
return a pointer to the standard Rosetta SASA radii
Methods inherited from rosetta.utility.SingletonBase_core_pack_interaction_graph_RotamerDotsRadiusData_t:
- get_instance(...) from builtins.PyCapsule
- get_instance() -> core::pack::interaction_graph::RotamerDotsRadiusData
|
class SimpleEdge(rosetta.core.graph.Edge) |
| |
- Method resolution order:
- SimpleEdge
- rosetta.core.graph.Edge
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.graph.Graph, res1 : int, res2 : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- commit_change(...) from builtins.PyCapsule
- commit_change(rosetta.core.pack.interaction_graph.SimpleEdge) -> NoneType
- compute_energy(...) from builtins.PyCapsule
- compute_energy(self : rosetta.core.pack.interaction_graph.SimpleEdge, use_current_node1 : bool, use_current_node2 : bool) -> NoneType
- copy_from(...) from builtins.PyCapsule
- copy_from(self : rosetta.core.pack.interaction_graph.SimpleEdge, : rosetta.core.graph.Edge) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SimpleEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SimpleEdge) -> int
- get_current_energy(...) from builtins.PyCapsule
- get_current_energy(rosetta.core.pack.interaction_graph.SimpleEdge) -> float
- get_proposed_energy(...) from builtins.PyCapsule
- get_proposed_energy(rosetta.core.pack.interaction_graph.SimpleEdge) -> float
- update_current_energy(...) from builtins.PyCapsule
- update_current_energy(rosetta.core.pack.interaction_graph.SimpleEdge) -> NoneType
- update_proposed_energy(...) from builtins.PyCapsule
- update_proposed_energy(rosetta.core.pack.interaction_graph.SimpleEdge) -> NoneType
Methods inherited from rosetta.core.graph.Edge:
- get_first_node_ind(...) from builtins.PyCapsule
- get_first_node_ind(rosetta.core.graph.Edge) -> int
returns the index of the lower node
- get_other_ind(...) from builtins.PyCapsule
- get_other_ind(self : rosetta.core.graph.Edge, node_index : int) -> int
returns the index of the one node given the index of the other.
node_index must be one of the two nodes that this edge is incident upon.
- get_other_node(...) from builtins.PyCapsule
- get_other_node(*args, **kwargs)
Overloaded function.
1. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
returns a const pointer to one node given the index of the other.
node_index must be one of the two nodes that this edge is incident upon.
2. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
returns a non-const pointer to one node given the index of the other.
node_index must be one of the two nodes that this edge is incident upon.
- get_second_node_ind(...) from builtins.PyCapsule
- get_second_node_ind(rosetta.core.graph.Edge) -> int
returns the index of the upper node
- is_loop(...) from builtins.PyCapsule
- is_loop(rosetta.core.graph.Edge) -> bool
Is this edge a loop? In Pseudographs, loop edges are incident twice on a single vertex.
- same_edge(...) from builtins.PyCapsule
- same_edge(self : rosetta.core.graph.Edge, node1 : int, node2 : int) -> bool
Is this the same edge as another edge (node1,node2)? Note:
this graph does not work for multi-graphs. Edges must be unique.
- set_pos_in_owners_list(...) from builtins.PyCapsule
- set_pos_in_owners_list(self : rosetta.core.graph.Edge, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
called only by class Graph, this function gives the Edge the data it needs
to later delete itself from its owner's edge list in constant time.
|
class SimpleInteractionGraph(rosetta.core.graph.Graph) |
|
A simple graph class for calculating pairwise decomposable
energies as sidechains are moving on a fixed backbone. This class
is responsible for calculating energy changes, but is passive about
how the sidechains are changing. There are two main ways to drive
the graph: one where the graph ACTIVELY takes charge of updating pointers
to the sidechains, where, each external change of one pointer
triggers an update to the energies; and a second, where the graph
is PASSIVE wrt the pointers, and they must be maintained by
an external driver. |
|
- Method resolution order:
- SimpleInteractionGraph
- rosetta.core.graph.Graph
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, : rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> rosetta.core.pack.interaction_graph.SimpleInteractionGraph
- commit_change(...) from builtins.PyCapsule
- commit_change(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, node_id : int) -> NoneType
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, node_id : int, new_state : rosetta.core.conformation.Residue) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> int
- delete_edge(...) from builtins.PyCapsule
- delete_edge(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, : rosetta.core.graph.Edge) -> NoneType
- get_simple_node(...) from builtins.PyCapsule
- get_simple_node(*args, **kwargs)
Overloaded function.
1. get_simple_node(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, ind : int) -> rosetta.core.pack.interaction_graph.SimpleNode
2. get_simple_node(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, ind : int) -> rosetta.core.pack.interaction_graph.SimpleNode
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, pose : rosetta.core.pose.Pose) -> NoneType
Initialization where the graph adds its own edges
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> rosetta.core.pose.Pose
- reject_change(...) from builtins.PyCapsule
- reject_change(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, node_id : int) -> NoneType
- scorefunction(...) from builtins.PyCapsule
- scorefunction(rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_pose_no_initialize(...) from builtins.PyCapsule
- set_pose_no_initialize(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, pose : rosetta.core.pose.Pose) -> NoneType
- set_scorefunction(...) from builtins.PyCapsule
- set_scorefunction(self : rosetta.core.pack.interaction_graph.SimpleInteractionGraph, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- total_energy(...) from builtins.PyCapsule
- total_energy(rosetta.core.pack.interaction_graph.SimpleInteractionGraph) -> float
Methods inherited from rosetta.core.graph.Graph:
- add_edge(...) from builtins.PyCapsule
- add_edge(*args, **kwargs)
Overloaded function.
1. add_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
add an edge between two vertices. Invokes "create_edge" from the derived class.
Returns a pointer to the edge after its been added, allowing the calling function
to immediately set data for this edge.
2. add_edge(self : rosetta.core.graph.Graph, example_edge : rosetta.core.graph.Edge) -> rosetta.core.graph.Edge
add an edge to this graph copying the data from an edge in another graph.
Returns a pointer to the edge after its been added, allowing the calling function
to immediately set data for this edge.
- all_pairs_shortest_paths(...) from builtins.PyCapsule
- all_pairs_shortest_paths(rosetta.core.graph.Graph) -> ObjexxFCL::FArray2D<int>
O(V^3). Computes all pairs shortest paths using Warshall's algorithm
and writes all the path distances to the two-dimensional table.
- const_edge_list_begin(...) from builtins.PyCapsule
- const_edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the beginning of the (unordered) edge list for the graph.
this edge list contains all the edges in the graph, not simply those for a particular vertex
- const_edge_list_end(...) from builtins.PyCapsule
- const_edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the end of the (unordered) edge list for the graph.
this edge list contains all the edges in the graph, not simply those for a particular vertex
- copy_connectivity(...) from builtins.PyCapsule
- copy_connectivity(self : rosetta.core.graph.Graph, source : rosetta.core.graph.Graph) -> NoneType
copy the edge connectivity from a source graph with a potentially
unknown type.
- drop_all_edges(...) from builtins.PyCapsule
- drop_all_edges(rosetta.core.graph.Graph) -> NoneType
delete all the edges present in the graph
- drop_all_edges_for_node(...) from builtins.PyCapsule
- drop_all_edges_for_node(self : rosetta.core.graph.Graph, node : int) -> NoneType
delete all the edges for a single vertex in the graph
- edge_list_begin(...) from builtins.PyCapsule
- edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the beginning of the (unordered) edge list for the graph.
this edge list contains all the edges in the graph, not simply those for a particular vertex
- edge_list_end(...) from builtins.PyCapsule
- edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the end of the (unordered) edge list for the graph.
this edge list contains all the edges in the graph, not simply those for a particular vertex
- find_edge(...) from builtins.PyCapsule
- find_edge(*args, **kwargs)
Overloaded function.
1. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
returns a pointer to the edge connecting nodes node1 and node2, if that edge exists
in the graph, o.w. returns 0. Focuses the graph on this edge for fast subsequent retrieval.
2. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists
in the graph, o.w. returns 0. Focuses the graph on this edge for fast subsequent retrieval.
- focused_edge(...) from builtins.PyCapsule
- focused_edge(*args, **kwargs)
Overloaded function.
1. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
returns a pointer to the focused edge
2. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
returns a const-pointer to the focused edge
- getTotalMemoryUsage(...) from builtins.PyCapsule
- getTotalMemoryUsage(rosetta.core.graph.Graph) -> int
returns a count of all the memory used by every vertex and edge in a graph
by invoking the polymorphic count_static_memory and count_dynamic_memory of each
(possibly derived) node and edge object as well as for the (possibly derived) graph
class.
- get_edge_exists(...) from builtins.PyCapsule
- get_edge_exists(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> bool
is an edge already present in the graph? O(V) worst case. O(1) iff all vertices have O(1) edges
- get_node(...) from builtins.PyCapsule
- get_node(*args, **kwargs)
Overloaded function.
1. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
2. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
self pointers
2. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
- num_edges(...) from builtins.PyCapsule
- num_edges(rosetta.core.graph.Graph) -> int
- num_nodes(...) from builtins.PyCapsule
- num_nodes(rosetta.core.graph.Graph) -> int
the number of nodes in the graph
- print_vertices(...) from builtins.PyCapsule
- print_vertices(rosetta.core.graph.Graph) -> NoneType
send summary information to the screen for all vertices in the graph
- set_num_nodes(...) from builtins.PyCapsule
- set_num_nodes(self : rosetta.core.graph.Graph, num_nodes : int) -> NoneType
set the number of nodes in the graph -- deletes any existing edges in the graph
|
class SimpleNode(rosetta.core.graph.Node) |
| |
- Method resolution order:
- SimpleNode
- rosetta.core.graph.Node
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.graph.Graph, resnum : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- alt_sc_centroid(...) from builtins.PyCapsule
- alt_sc_centroid(rosetta.core.pack.interaction_graph.SimpleNode) -> rosetta.numeric.xyzVector_double_t
- alt_sc_radius(...) from builtins.PyCapsule
- alt_sc_radius(rosetta.core.pack.interaction_graph.SimpleNode) -> float
- bb_centroid(...) from builtins.PyCapsule
- bb_centroid(rosetta.core.pack.interaction_graph.SimpleNode) -> rosetta.numeric.xyzVector_double_t
- bb_radius(...) from builtins.PyCapsule
- bb_radius(rosetta.core.pack.interaction_graph.SimpleNode) -> float
- commit_change(...) from builtins.PyCapsule
- commit_change(rosetta.core.pack.interaction_graph.SimpleNode) -> NoneType
Copy the alternate_residue_ pointer to the current_residue_ pointer;
copy the alternate energies to the current energies for this node and its
incident edges.
- commit_change_no_res_pointer_update(...) from builtins.PyCapsule
- commit_change_no_res_pointer_update(rosetta.core.pack.interaction_graph.SimpleNode) -> NoneType
Copy the alternate energies to the current energies for this node
and its incident edges.
- copy_from(...) from builtins.PyCapsule
- copy_from(self : rosetta.core.pack.interaction_graph.SimpleNode, : rosetta.core.graph.Node) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SimpleNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SimpleNode) -> int
- curr_sc_centroid(...) from builtins.PyCapsule
- curr_sc_centroid(rosetta.core.pack.interaction_graph.SimpleNode) -> rosetta.numeric.xyzVector_double_t
- curr_sc_radius(...) from builtins.PyCapsule
- curr_sc_radius(rosetta.core.pack.interaction_graph.SimpleNode) -> float
- current_one_body_energy(...) from builtins.PyCapsule
- current_one_body_energy(rosetta.core.pack.interaction_graph.SimpleNode) -> float
- get_alternate(...) from builtins.PyCapsule
- get_alternate(rosetta.core.pack.interaction_graph.SimpleNode) -> rosetta.core.conformation.Residue
return the pointer to the alternate state (might be 0)
- get_current(...) from builtins.PyCapsule
- get_current(rosetta.core.pack.interaction_graph.SimpleNode) -> rosetta.core.conformation.Residue
return the pointer to the current state (might be 0)
- moved(...) from builtins.PyCapsule
- moved(rosetta.core.pack.interaction_graph.SimpleNode) -> bool
Is this node considering a state substitution?
- one_body_energy(...) from builtins.PyCapsule
- one_body_energy(rosetta.core.pack.interaction_graph.SimpleNode) -> float
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.SimpleNode) -> NoneType
- proposed_one_body_energy(...) from builtins.PyCapsule
- proposed_one_body_energy(rosetta.core.pack.interaction_graph.SimpleNode) -> float
- reject_change(...) from builtins.PyCapsule
- reject_change(rosetta.core.pack.interaction_graph.SimpleNode) -> NoneType
Reset state on this node so that its incident edges will no longer
think it is considering an alternate conformation.
- set_alternate(...) from builtins.PyCapsule
- set_alternate(self : rosetta.core.pack.interaction_graph.SimpleNode, res : rosetta.core.conformation.Residue) -> NoneType
Set the alternate residue COP and follow by computing the energy
for this residue with its neighbors and storing those computed energies
on this node's edges as their "proposed" energies
- set_alternate_no_E_update(...) from builtins.PyCapsule
- set_alternate_no_E_update(self : rosetta.core.pack.interaction_graph.SimpleNode, res : rosetta.core.conformation.Residue) -> NoneType
Passive mode behavior: set the current residue pointer without updating
the alternate one body or proposed two body energies.
- set_current(...) from builtins.PyCapsule
- set_current(self : rosetta.core.pack.interaction_graph.SimpleNode, res : rosetta.core.conformation.Residue) -> NoneType
Set the current residue COP, and follow by computing the energy
for this residue with its neighbors and storing those computed energies
on this node's edges as their "current" energies.
- set_current_no_E_update(...) from builtins.PyCapsule
- set_current_no_E_update(self : rosetta.core.pack.interaction_graph.SimpleNode, res : rosetta.core.conformation.Residue) -> NoneType
Passive mode behavior: set the current residue pointer without updating
the current one body or two body energies.
- update_energies_after_passive_change(...) from builtins.PyCapsule
- update_energies_after_passive_change(rosetta.core.pack.interaction_graph.SimpleNode) -> NoneType
Methods inherited from rosetta.core.graph.Node:
- add_edge(...) from builtins.PyCapsule
- add_edge(self : rosetta.core.graph.Node, edge_ptr : core::graph::Edge, : rosetta.core.graph.EdgeListIterator) -> NoneType
adds edge pointer to edge list; returns an iterator to the new
list element
- const_edge_list_begin(...) from builtins.PyCapsule
- const_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the beginning of its edge list
- const_edge_list_end(...) from builtins.PyCapsule
- const_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the end of its edge list
- const_lower_edge_list_begin(...) from builtins.PyCapsule
- const_lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the beginning of its lower-edge list
- const_lower_edge_list_end(...) from builtins.PyCapsule
- const_lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the end of its lower-edge list
- const_upper_edge_list_begin(...) from builtins.PyCapsule
- const_upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the beginning of its upper-edge list
- const_upper_edge_list_end(...) from builtins.PyCapsule
- const_upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
returns a const iterator to the end of its upper-edge list
- drop_all_edges(...) from builtins.PyCapsule
- drop_all_edges(rosetta.core.graph.Node) -> NoneType
deletes all edges incident upon this node
- drop_edge(...) from builtins.PyCapsule
- drop_edge(self : rosetta.core.graph.Node, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
removes an edge iterator from the node's edge list. Only called by Edge class.
- edge_list_begin(...) from builtins.PyCapsule
- edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the beginning of its edge list
- edge_list_end(...) from builtins.PyCapsule
- edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the end of its edge list
- find_edge(...) from builtins.PyCapsule
- find_edge(*args, **kwargs)
Overloaded function.
1. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
a "slow" (linear) search for an edge.
2. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
- get_node_index(...) from builtins.PyCapsule
- get_node_index(rosetta.core.graph.Node) -> int
the index for this node
- get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_larger_indexed_nodes(rosetta.core.graph.Node) -> int
the number of upper neighbors -- which "self" neighborness is counted if a loop edge
is present
- get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
- get_num_edges_to_smaller_indexed_nodes(rosetta.core.graph.Node) -> int
the number of lower neighbors
- loop_incident(...) from builtins.PyCapsule
- loop_incident(rosetta.core.graph.Node) -> bool
NOTE TO SELF: remove loop support
- lower_edge_list_begin(...) from builtins.PyCapsule
- lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the beginning of its lower-edge list
- lower_edge_list_end(...) from builtins.PyCapsule
- lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the end of its lower-edge list
- num_edges(...) from builtins.PyCapsule
- num_edges(rosetta.core.graph.Node) -> int
the number of edges incident on this node, which may include a loop edge
- num_neighbors_counting_self(...) from builtins.PyCapsule
- num_neighbors_counting_self(rosetta.core.graph.Node) -> int
the number of neighbors counting "self" as a neighbor.
- num_neighbors_counting_self_static(...) from builtins.PyCapsule
- num_neighbors_counting_self_static(rosetta.core.graph.Node) -> int
the number of neighbors counting "self" as neighbor. Defaults to
num_neighbors_counting_self() but can be set to other values as well.
Useful in calculation of symmetrical structures.
- set_num_neighbors_counting_self_static(...) from builtins.PyCapsule
- set_num_neighbors_counting_self_static(self : rosetta.core.graph.Node, neighbor : int) -> NoneType
manually change the number of neighbors for a Node. Used
for symmetry scoring
- upper_edge_list_begin(...) from builtins.PyCapsule
- upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the beginning of its upper-edge list
- upper_edge_list_end(...) from builtins.PyCapsule
- upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
returns a non-const iterator to the end of its upper-edge list
|
class SurfaceEnergy(rosetta.core.scoring.methods.ContextDependentOneBodyEnergy) |
|
Defines a (pseudo) context-dependent one-body surface energy. Really, this class
is only being used as a hack for the optE protocol so that the non-PD surface
energy can be optimized together with the other PD-terms. |
|
- Method resolution order:
- SurfaceEnergy
- rosetta.core.scoring.methods.ContextDependentOneBodyEnergy
- rosetta.core.scoring.methods.OneBodyEnergy
- rosetta.core.scoring.methods.EnergyMethod
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.interaction_graph.SurfaceEnergy, : rosetta.core.pack.interaction_graph.SurfaceEnergy) -> rosetta.core.pack.interaction_graph.SurfaceEnergy
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pack.interaction_graph.SurfaceEnergy) -> rosetta.core.scoring.methods.EnergyMethod
- finalize_total_energy(...) from builtins.PyCapsule
- finalize_total_energy(self : rosetta.core.pack.interaction_graph.SurfaceEnergy, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
- indicate_required_context_graphs(...) from builtins.PyCapsule
- indicate_required_context_graphs(self : rosetta.core.pack.interaction_graph.SurfaceEnergy, : rosetta.utility.vector1_bool) -> NoneType
- residue_energy(...) from builtins.PyCapsule
- residue_energy(self : rosetta.core.pack.interaction_graph.SurfaceEnergy, rsd : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.scoring.EMapVector) -> NoneType
- setup_for_scoring(...) from builtins.PyCapsule
- setup_for_scoring(self : rosetta.core.pack.interaction_graph.SurfaceEnergy, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
Methods inherited from rosetta.core.scoring.methods.ContextDependentOneBodyEnergy:
- method_type(...) from builtins.PyCapsule
- method_type(rosetta.core.scoring.methods.ContextDependentOneBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType
Returns the cd_1b element of the EnergyMethodType enumeration; this method
should NOT be overridden by derived classes.
Methods inherited from rosetta.core.scoring.methods.OneBodyEnergy:
- defines_dof_derivatives(...) from builtins.PyCapsule
- defines_dof_derivatives(self : rosetta.core.scoring.methods.OneBodyEnergy, p : rosetta.core.pose.Pose) -> bool
Use the dof_derivative interface for this energy method when
calculating derivatives? It is possible to define both dof_derivatives and
atom-derivatives; they are not mutually exclusive.
- defines_score_for_residue(...) from builtins.PyCapsule
- defines_score_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, : rosetta.core.conformation.Residue) -> bool
During minimization, energy methods are allowed to decide that they say nothing
about a particular residue (e.g. no non-zero energy) and as a result they will not be queried for
a derivative or an energy. The default behavior is to return "true" for all residues.
- eval_residue_derivatives(...) from builtins.PyCapsule
- eval_residue_derivatives(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : core::scoring::ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
Evaluate the derivatives for all atoms on this residue and increment them
into the input atom_derivs vector1. The calling function must guarantee that
setup for derivatives is called before this function is, and that the atom_derivs
vector contains at least as many entries as there are atoms in the input Residue.
This base class provides a default noop implementation of this function.
- eval_residue_dof_derivative(...) from builtins.PyCapsule
- eval_residue_dof_derivative(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : core::scoring::ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
Evaluate the DOF derivative for a particular residue. The Pose merely serves as context,
and the input residue is not required to be a member of the Pose.
- requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.OneBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine the residue before derivative evaluation begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested
in doing so.
- requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.OneBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine the residue before scoring begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested
in doing so.
- residue_energy_ext(...) from builtins.PyCapsule
- residue_energy_ext(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : core::scoring::ResSingleMinimizationData, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluate the one-body energies for a particular residue, in the context of a
given Pose, and with the help of a piece of cached data for minimization, increment those
one body energies into the input EnergyMap. The calling function must guarantee that this
EnergyMethod has had the opportunity to update the input ResSingleMinimizationData object
for the given residue in a call to setup_for_minimizing_for_residue before this function is
invoked. This function should not be called unless the use_extended_residue_energy_interface()
method returns "true". Default implementation provided by this base class calls
utility::exit(). The Pose merely serves as context, and the input residue is not required
to be a member of the Pose.
- setup_for_derivatives_for_residue(...) from builtins.PyCapsule
- setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : core::scoring::ResSingleMinimizationData) -> NoneType
Do any setup work necessary before evaluating the derivatives for this residue
- setup_for_minimizing_for_residue(...) from builtins.PyCapsule
- setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.kinematics.MinimizerMapBase, : core::scoring::ResSingleMinimizationData) -> NoneType
Called at the beginning of minimization, allowing this energy method to cache data
pertinent for a single residue in the the ResSingleMinimizationData that is used for a
particular residue in the context of a particular Pose. This base class provides a noop
implementation for this function if there is nothing that the derived class needs to perform
in this setup phase. The Pose merely serves as context, and the input residue is not
required to be a member of the Pose.
- setup_for_scoring_for_residue(...) from builtins.PyCapsule
- setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : core::scoring::ResSingleMinimizationData) -> NoneType
Do any setup work should the coordinates of this residue, who is still guaranteed to be
of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
as to possibly require some amount of setup work before scoring should proceed
- use_extended_residue_energy_interface(...) from builtins.PyCapsule
- use_extended_residue_energy_interface(rosetta.core.scoring.methods.OneBodyEnergy) -> bool
Rely on the extended version of the residue_energy function during score-function
evaluation in minimization? The extended version (below) takes a ResSingleMinimizationData.
Return 'true' for the extended version. The default method implemented in this class returns 'false'
Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
- defines_high_order_terms(...) from builtins.PyCapsule
- defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose) -> bool
Should this EnergyMethod have score and derivative evaluation
evaluated both in the context of the whole Pose and in the context
of residue or residue-pairs? This covers scoring terms like env-smooth
wherein the CBeta's get derivatives for increasing the neighbor counts
for surrounding residues, and terms like constraints, which are definable
on arbitrary number of residues (e.g. more than 2); both of these terms
could be used in RTMin, and both should use the residue and residue-pair
evaluation scheme with the MinimizationGraph for the majority of the
work they do. (Now, high-order constraints (3-body or above) will not
be properly evaluated within RTMin.). The default implementation
returns "false".
- eval_atom_derivative(...) from builtins.PyCapsule
- eval_atom_derivative(self : rosetta.core.scoring.methods.EnergyMethod, id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
Evaluate the XYZ derivative for an atom in the pose.
Called during the atomtree derivative calculation, atom_tree_minimize.cc,
through the ScoreFunction::eval_atom_derivative intermediary.
F1 and F2 should not zeroed, rather, this class should accumulate its contribution
from this atom's XYZ derivative
The derivative scheme is based on that of Abe, Braun, Noguti and Go (1984)
"Rapid Calculation of First and Second Derivatives of Conformational Energy with
Respect to Dihedral Angles for Proteins. General Recurrent Equations"
Computers & Chemistry 8(4) pp. 239-247. F1 and F2 correspond roughly to Fa and Ga,
respectively, of equations 7a & 7b in that paper.
- finalize_after_derivatives(...) from builtins.PyCapsule
- finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
called at the end of derivatives evaluation
- minimize_in_whole_structure_context(...) from builtins.PyCapsule
- minimize_in_whole_structure_context(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose) -> bool
Should this EnergyMethod have score and derivative evaluation
evaluated only in the context of the whole Pose, or can it be included
in a decomposed manner for a residue or a set of residue-pairs that are
not part of the Pose that's serving as their context? The default
method implemented in the base class returns true in order to grandfather
in EnergyMethods that have not had their derivatives changed to take
advantage of the new derivative-evaluation machinery. Methods that return
"true" will not have their residue-energy(-ext) / residue-pair-energy(-ext)
methods invoked by the ScoreFunction during its traversal of the
MinimizationGraph, and instead will be asked to perform all their work
during finalize_total_energies(). Similarly, they will be expected to
perform all their work during eval_atom_deriv() instead of during the
ScoreFunction's traversal of the MinimizationGraph for derivative evaluation.
IMPORTANT: Methods that return "true" cannot be included in RTMin.
- prepare_rotamers_for_packing(...) from builtins.PyCapsule
- prepare_rotamers_for_packing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.conformation.RotamerSetBase) -> NoneType
If an energy method needs to cache data in a packing::RotamerSet object before
rotamer energies are calculated, it does so during this function. The packer
must ensure this function is called. The default behavior is to do nothing.
- score_types(...) from builtins.PyCapsule
- score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
Returns the score types that this energy method computes.
- setup_for_derivatives(...) from builtins.PyCapsule
- setup_for_derivatives(self : rosetta.core.scoring.methods.EnergyMethod, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Called immediately before atom- and DOF-derivatives are calculated
allowing the derived class a chance to prepare for future calls.
- setup_for_minimizing(...) from builtins.PyCapsule
- setup_for_minimizing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
Called at the beginning of atom tree minimization, this method
allows the derived class the opportunity to initialize pertinent data
that will be used during minimization. During minimzation, the chemical
structure of the pose is constant, so assumptions on the number of atoms
per residue and their identities are safe so long as the pose's Energies
object's "use_nblist()" method returns true.
- setup_for_packing(...) from builtins.PyCapsule
- setup_for_packing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.utility.vector1_bool, : rosetta.utility.vector1_bool) -> NoneType
if an energy method needs to cache data in the Energies object,
before packing begins, then it does so during this function. The packer
must ensure this function is called. The default behavior is to do nothing.
- update_residue_for_packing(...) from builtins.PyCapsule
- update_residue_for_packing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, resid : int) -> NoneType
If the pose changes in the middle of a packing (as happens in rotamer trials) and if
an energy method needs to cache data in the pose that corresponds to its current state,
then the method must update that data when this function is called. The packer must
ensure this function gets called. The default behavior is to do nothing.
- version(...) from builtins.PyCapsule
- version(rosetta.core.scoring.methods.EnergyMethod) -> int
Return the version of the energy method
|
class SurfacePotential(rosetta.utility.SingletonBase_core_pack_interaction_graph_SurfacePotential_t) |
|
With the traditional scoring hierarchy, classes like this one are created and accessed via the ScoringManager, which
is itself a Singleton class. These "potential" classes are only created and initialized when the use of the EnergyMethod
these classes correspond is encountered. No point in reading database files for a term if that term is not being used
in some score function. However, the surface energy is used when users specify they want to use it on the command
line - NOT via a score function. The score/energy is done within an interaction graph. One might ask why I just don't
put the logic for reading in the database file to the interaction graph init methods. However, there will be cases
where I will want to just score a protein (and not do any design) where I will want the database file to be read in.
Scoring doesn't use interaction graphs, so if the code for that was located there, these values would not be read in.
Instead, I've decided to implement this as its own separate class. It uses the Singleton design pattern so the database
will only get read in once during a run. |
|
- Method resolution order:
- SurfacePotential
- rosetta.utility.SingletonBase_core_pack_interaction_graph_SurfacePotential_t
- 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.
- average_residue_hASA(...) from builtins.PyCapsule
- average_residue_hASA(self : rosetta.core.pack.interaction_graph.SurfacePotential, aa_type : rosetta.core.chemical.AA, num_nbs : int) -> float
- compute_pose_hpatch_score(...) from builtins.PyCapsule
- compute_pose_hpatch_score(*args, **kwargs)
Overloaded function.
1. compute_pose_hpatch_score(self : rosetta.core.pack.interaction_graph.SurfacePotential, pose : rosetta.core.pose.Pose) -> float
return the hpatch score for an entire pose
2. compute_pose_hpatch_score(self : rosetta.core.pack.interaction_graph.SurfacePotential, pose : rosetta.core.pose.Pose, total_hpatch_energy_ : float, patch_scores_ : rosetta.std.map_unsigned_long_std_pair_double_double_t, atoms_in_patches_ : rosetta.std.map_unsigned_long_utility_vector1_core_id_AtomID_std_allocator_core_id_AtomID_t) -> NoneType
- compute_pose_surface_energy(...) from builtins.PyCapsule
- compute_pose_surface_energy(*args, **kwargs)
Overloaded function.
1. compute_pose_surface_energy(self : rosetta.core.pack.interaction_graph.SurfacePotential, pose : rosetta.core.pose.Pose, surface_energy_ : float) -> NoneType
2. compute_pose_surface_energy(self : rosetta.core.pack.interaction_graph.SurfacePotential, pose : rosetta.core.pose.Pose, total_surface_energy_ : float, residue_surface_energy_ : rosetta.utility.vector1_double) -> NoneType
- compute_residue_surface_energy(...) from builtins.PyCapsule
- compute_residue_surface_energy(self : rosetta.core.pack.interaction_graph.SurfacePotential, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector, resid : int, num_neighbors_ : rosetta.utility.vector1_unsigned_long) -> NoneType
- hASA_patch_energy(...) from builtins.PyCapsule
- hASA_patch_energy(self : rosetta.core.pack.interaction_graph.SurfacePotential, patch_area : float, num_nbs : int) -> float
- hpatch_score(...) from builtins.PyCapsule
- hpatch_score(self : rosetta.core.pack.interaction_graph.SurfacePotential, patch_area : float) -> float
Methods inherited from rosetta.utility.SingletonBase_core_pack_interaction_graph_SurfacePotential_t:
- get_instance(...) from builtins.PyCapsule
- get_instance() -> core::pack::interaction_graph::SurfacePotential
|
class SymmLinearMemEdge(SymmOnTheFlyEdge) |
| |
- Method resolution order:
- SymmLinearMemEdge
- SymmOnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_change(...) from builtins.PyCapsule
- acknowledge_partial_state_change(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, node_ind : int, new_state : int, bumped_recent_history_index : int, new_state_recent_history_index : int) -> NoneType
- acknowledge_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, node_ind : int, new_state : int, bumped_recent_history_index : int, new_state_recent_history_index : int, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int, bumped_recent_history_index : int, new_state_recent_history_index : int, neighbors_curr_state : int) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> int
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> NoneType
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> float
- get_energy_following_partial_state_assignment(...) from builtins.PyCapsule
- get_energy_following_partial_state_assignment(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> float
- get_energy_for_alt_state(...) from builtins.PyCapsule
- get_energy_for_alt_state(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, store_rpes : bool, changing_node_index : int, alternate_state : int, alternate_state_recent_history_index : int, other_node_curr_state : int, other_node_state_recent_history_index : int) -> float
- get_symmlinmem_ig_owner(...) from builtins.PyCapsule
- get_symmlinmem_ig_owner(*args, **kwargs)
Overloaded function.
1. get_symmlinmem_ig_owner(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> core::pack::interaction_graph::SymmLinearMemoryInteractionGraph
2. get_symmlinmem_ig_owner(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> core::pack::interaction_graph::SymmLinearMemoryInteractionGraph
- get_symmlinmem_node(...) from builtins.PyCapsule
- get_symmlinmem_node(*args, **kwargs)
Overloaded function.
1. get_symmlinmem_node(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, index : int) -> rosetta.core.pack.interaction_graph.SymmLinearMemNode
2. get_symmlinmem_node(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, index : int) -> rosetta.core.pack.interaction_graph.SymmLinearMemNode
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, node1state : int, node2state : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> NoneType
- print_current_energy(...) from builtins.PyCapsule
- print_current_energy(rosetta.core.pack.interaction_graph.SymmLinearMemEdge) -> NoneType
- reset_state_energies(...) from builtins.PyCapsule
- reset_state_energies(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, node_index : int, state : int, recent_history_id : int) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.SymmLinearMemEdge, weight : float) -> NoneType
Methods inherited from SymmOnTheFlyEdge:
- add_ProCorrection_values(...) from builtins.PyCapsule
- add_ProCorrection_values(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_ind : int, state : int) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> bool
fullfilling base class virtual member request -- however, this function does not quite
make sense for a symmetric otf ig, so this is just stubbed out to return true.
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
- residues_adjacent_for_subunit_pair(...) from builtins.PyCapsule
- residues_adjacent_for_subunit_pair(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, which_node : int, other_node_subunit : int, whichnode_restypegroup : int, othernode_restypegroup : int) -> int
- set_residues_adjacent_for_subunit_pair(...) from builtins.PyCapsule
- set_residues_adjacent_for_subunit_pair(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, which_node : int, other_node_subunit : int) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> bool
Methods inherited from 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 SymmLinearMemNode(SymmOnTheFlyNode) |
| |
- Method resolution order:
- SymmLinearMemNode
- SymmOnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_last_substititon_not_committed(...) from builtins.PyCapsule
- acknowledge_last_substititon_not_committed(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
update bookkeeping info to acknolwedge that the last alternative state considered was not
in fact chosen for the currently assigned state.
- acknowledge_neighbors_partial_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_partial_state_substitution(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, edge_to_altered_neighbor : int, other_node_new_state : int, other_state_recent_history_index : int) -> NoneType
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int, other_node_recent_history_index : int) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, new_state : int) -> NoneType
set to a particular state -- updates the energies internally
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
set to state 0
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
proceed to change the currently assigned state to the alternative state considered in
the last call to project_deltaE_for_substitution
- complete_state_assignment(...) from builtins.PyCapsule
- complete_state_assignment(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
second half of the entire-graph state assignment.
- compute_pair_energy_for_alternate_state(...) from builtins.PyCapsule
- compute_pair_energy_for_alternate_state(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, edge_making_energy_request : int) -> float
comupute the interaction energy between the alternate state being considered on this residue and
the currently assigned state on a neighboring residue, identified by the index of the edge connecting
the two
- compute_pair_energy_for_current_state(...) from builtins.PyCapsule
- compute_pair_energy_for_current_state(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, edge_making_energy_request : int) -> float
comupute the interaction energy between the currently assigned state on this residue and
the currently assigned state on a neighboring residue, identified by the index of the edge connecting
the two
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> int
- get_adjacent_symmlinmem_node(...) from builtins.PyCapsule
- get_adjacent_symmlinmem_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_symmlinmem_node(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, index : int) -> rosetta.core.pack.interaction_graph.SymmLinearMemNode
2. get_adjacent_symmlinmem_node(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, index : int) -> rosetta.core.pack.interaction_graph.SymmLinearMemNode
- get_curr_state_recent_state_id(...) from builtins.PyCapsule
- get_curr_state_recent_state_id(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> int
return the "recent state id" for the currently assigned state
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> int
return the index of the currently assigned state
- get_incident_symmlinmem_edge(...) from builtins.PyCapsule
- get_incident_symmlinmem_edge(*args, **kwargs)
Overloaded function.
1. get_incident_symmlinmem_edge(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, index : int) -> core::pack::interaction_graph::SymmLinearMemEdge
2. get_incident_symmlinmem_edge(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, index : int) -> core::pack::interaction_graph::SymmLinearMemEdge
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> float
return the one-body energy for the currently assigned state
- get_recent_history_size(...) from builtins.PyCapsule
- get_recent_history_size(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> int
- get_symmlinmem_ig_owner(...) from builtins.PyCapsule
- get_symmlinmem_ig_owner(*args, **kwargs)
Overloaded function.
1. get_symmlinmem_ig_owner(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> core::pack::interaction_graph::SymmLinearMemoryInteractionGraph
2. get_symmlinmem_ig_owner(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> core::pack::interaction_graph::SymmLinearMemoryInteractionGraph
- get_totalE(...) from builtins.PyCapsule
- get_totalE(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> float
return the total energy for this node; includes full energies to neighboring residues
- partial_assign_state(...) from builtins.PyCapsule
- partial_assign_state(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, new_state : int) -> NoneType
first half of an entire-graph state assignment that avoids unnecessary energy updates
as produced in assign_state. Adjust all node's states first, then update all energies.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
symmlinmem ig does not have to do anything before sim annealing begins
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
write internal energy and bookkeeping data to standard out
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, alternate_state : int, prev_node_energy : float) -> float
compute the change in energy induced by substituting the currently assigned state with
some alternative state
- set_recent_history_size(...) from builtins.PyCapsule
- set_recent_history_size(self : rosetta.core.pack.interaction_graph.SymmLinearMemNode, num_states_to_maintain_in_recent_history : int) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> bool
state 0 represents the unasigned state
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.SymmLinearMemNode) -> NoneType
Methods inherited from SymmOnTheFlyNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- bb_bounding_sphere(...) from builtins.PyCapsule
- bb_bounding_sphere(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, subunit : int) -> (rosetta.numeric.xyzVector_double_t, float)
Returns a bounding sphere for the backbone on a particular subunit.
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, setting : bool) -> NoneType
- get_adjacent_otf_node(...) from builtins.PyCapsule
- get_adjacent_otf_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_otf_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
2. get_adjacent_otf_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
- get_asu_rotamer(...) from builtins.PyCapsule
- get_asu_rotamer(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> rosetta.core.conformation.Residue
Returns a reference to the rotamer object in the asymmetric unit.
- get_incident_otf_edge(...) from builtins.PyCapsule
- get_incident_otf_edge(*args, **kwargs)
Overloaded function.
1. get_incident_otf_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge : int) -> core::pack::interaction_graph::SymmOnTheFlyEdge
2. get_incident_otf_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge : int) -> core::pack::interaction_graph::SymmOnTheFlyEdge
- get_num_res_types(...) from builtins.PyCapsule
- get_num_res_types(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
the number of distinct ResidueType objects pointed to by all of the
rotamrs for this node.
- get_num_restype_groups(...) from builtins.PyCapsule
- get_num_restype_groups(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
the number of ResidueType groups, as defined by the RotamerSet's logic
for grouping different ResidueType objects which have the same "name3" and
the same neighbor radius.
- get_num_states_for_restype_group(...) from builtins.PyCapsule
- get_num_states_for_restype_group(*args, **kwargs)
Overloaded function.
1. get_num_states_for_restype_group(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_restype_group(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> rosetta.utility.vector1_int
3. get_num_states_for_restype_group(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, restype_group : int) -> int
- get_on_the_fly_owner(...) from builtins.PyCapsule
- get_on_the_fly_owner(*args, **kwargs)
Overloaded function.
1. get_on_the_fly_owner(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> core::pack::interaction_graph::SymmOnTheFlyInteractionGraph
2. get_on_the_fly_owner(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> core::pack::interaction_graph::SymmOnTheFlyInteractionGraph
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> float
- get_rotamer(...) from builtins.PyCapsule
- get_rotamer(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, subunit : int) -> rosetta.core.conformation.Residue
Returns a reference to the rotamer object in the requested subunit. This reference
is valid only until the next call to get_rotamer, and which point, the coordinates inside
the requested rotamer may change.
- get_state_offset_for_restype_group(...) from builtins.PyCapsule
- get_state_offset_for_restype_group(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, restype_group : int) -> int
- sc_bounding_sphere(...) from builtins.PyCapsule
- sc_bounding_sphere(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, subunit : int) -> (rosetta.numeric.xyzVector_double_t, float)
Returns a bounding sphere for the sidechain of a given state on a particular subunit.
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, rotamers : rosetta.core.pack.rotamer_set.RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> NoneType
Methods inherited from 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 SymmLinearMemoryInteractionGraph(SymmOnTheFlyInteractionGraph) |
| |
- Method resolution order:
- SymmLinearMemoryInteractionGraph
- SymmOnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, numNodes : 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.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> int
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> int
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph, group_id : int) -> float
- get_recent_history_size(...) from builtins.PyCapsule
- get_recent_history_size(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_recent_history_size(...) from builtins.PyCapsule
- set_recent_history_size(self : rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph, recent_history_size : int) -> NoneType
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.SymmLinearMemoryInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from SymmOnTheFlyInteractionGraph:
- active_score_types(...) from builtins.PyCapsule
- active_score_types(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.utility.vector1_core_scoring_ScoreType
- add_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- add_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- asymmetric_unit(...) from builtins.PyCapsule
- asymmetric_unit(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_num_restype_groups(...) from builtins.PyCapsule
- get_num_restype_groups(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_on_the_fly_node(...) from builtins.PyCapsule
- get_on_the_fly_node(*args, **kwargs)
Overloaded function.
1. get_on_the_fly_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
2. get_on_the_fly_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_residues_adjacent_for_subunit_pair_for_edge(...) from builtins.PyCapsule
- set_residues_adjacent_for_subunit_pair_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int, asu_node_index : int, other_node_subunit : int) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- symm_info(...) from builtins.PyCapsule
- symm_info(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.conformation.symmetry.SymmetryInfo
- symmetric_transform(...) from builtins.PyCapsule
- symmetric_transform(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, dst_subunit : int) -> rosetta.numeric.HomogeneousTransform_double_t
Return the homogeneous transform to translate and rotate coordinates
originally in the asymmetric unit into a given destination subunit.
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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
- 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 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 SymmMinimalistEdge(SymmOnTheFlyEdge) |
| |
- Method resolution order:
- SymmMinimalistEdge
- SymmOnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_change(...) from builtins.PyCapsule
- acknowledge_partial_state_change(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, node_ind : int, new_state : int) -> NoneType
- acknowledge_state_change(...) from builtins.PyCapsule
- acknowledge_state_change(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, node_ind : int, new_state : int, new_energy : float) -> NoneType
- acknowledge_state_zeroed(...) from builtins.PyCapsule
- acknowledge_state_zeroed(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, node_ind : int) -> NoneType
- acknowledge_substitution(...) from builtins.PyCapsule
- acknowledge_substitution(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, substituted_node_index : int, curr_state_energy : float, nodes_new_state : int) -> NoneType
- alt_state_energy(...) from builtins.PyCapsule
- alt_state_energy(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> int
- curr_state_energy(...) from builtins.PyCapsule
- curr_state_energy(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> float
- declare_energies_final(...) from builtins.PyCapsule
- declare_energies_final(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> NoneType
- get_current_two_body_energy(...) from builtins.PyCapsule
- get_current_two_body_energy(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> float
- get_energy_following_partial_state_assignment(...) from builtins.PyCapsule
- get_energy_following_partial_state_assignment(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> float
- get_energy_for_alt_state(...) from builtins.PyCapsule
- get_energy_for_alt_state(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, changing_node_index : int) -> float
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, node1state : int, node2state : int) -> float
- get_two_body_table_size(...) from builtins.PyCapsule
- get_two_body_table_size(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> int
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> NoneType
- print_current_energy(...) from builtins.PyCapsule
- print_current_energy(rosetta.core.pack.interaction_graph.SymmMinimalistEdge) -> NoneType
- set_edge_weight(...) from builtins.PyCapsule
- set_edge_weight(self : rosetta.core.pack.interaction_graph.SymmMinimalistEdge, weight : float) -> NoneType
Methods inherited from SymmOnTheFlyEdge:
- add_ProCorrection_values(...) from builtins.PyCapsule
- add_ProCorrection_values(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_ind : int, state : int) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> bool
fullfilling base class virtual member request -- however, this function does not quite
make sense for a symmetric otf ig, so this is just stubbed out to return true.
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
- residues_adjacent_for_subunit_pair(...) from builtins.PyCapsule
- residues_adjacent_for_subunit_pair(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, which_node : int, other_node_subunit : int, whichnode_restypegroup : int, othernode_restypegroup : int) -> int
- set_residues_adjacent_for_subunit_pair(...) from builtins.PyCapsule
- set_residues_adjacent_for_subunit_pair(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, which_node : int, other_node_subunit : int) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> bool
Methods inherited from 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 SymmMinimalistInteractionGraph(SymmOnTheFlyInteractionGraph) |
| |
- Method resolution order:
- SymmMinimalistInteractionGraph
- SymmOnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, numNodes : 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.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> NoneType
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> float
- consider_substitution(...) from builtins.PyCapsule
- consider_substitution(self : rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph, node_ind : int, new_state : int, delta_energy : float, prev_energy_for_node : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> int
- get_edge_memory_usage(...) from builtins.PyCapsule
- get_edge_memory_usage(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> int
- get_energy_current_state_assignment(...) from builtins.PyCapsule
- get_energy_current_state_assignment(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> float
- get_energy_sum_for_vertex_group(...) from builtins.PyCapsule
- get_energy_sum_for_vertex_group(self : rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph, group_id : int) -> float
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> NoneType
- print_current_state_assignment(...) from builtins.PyCapsule
- print_current_state_assignment(rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph) -> NoneType
- set_errorfull_deltaE_threshold(...) from builtins.PyCapsule
- set_errorfull_deltaE_threshold(self : rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph, deltaE : float) -> NoneType
- set_network_state(...) from builtins.PyCapsule
- set_network_state(self : rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph, node_states : ObjexxFCL::FArray1<int>) -> float
- set_state_for_node(...) from builtins.PyCapsule
- set_state_for_node(self : rosetta.core.pack.interaction_graph.SymmMinimalistInteractionGraph, node_ind : int, new_state : int) -> float
Methods inherited from SymmOnTheFlyInteractionGraph:
- active_score_types(...) from builtins.PyCapsule
- active_score_types(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.utility.vector1_core_scoring_ScoreType
- add_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- add_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- asymmetric_unit(...) from builtins.PyCapsule
- asymmetric_unit(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_num_restype_groups(...) from builtins.PyCapsule
- get_num_restype_groups(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_on_the_fly_node(...) from builtins.PyCapsule
- get_on_the_fly_node(*args, **kwargs)
Overloaded function.
1. get_on_the_fly_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
2. get_on_the_fly_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_residues_adjacent_for_subunit_pair_for_edge(...) from builtins.PyCapsule
- set_residues_adjacent_for_subunit_pair_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int, asu_node_index : int, other_node_subunit : int) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- symm_info(...) from builtins.PyCapsule
- symm_info(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.conformation.symmetry.SymmetryInfo
- symmetric_transform(...) from builtins.PyCapsule
- symmetric_transform(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, dst_subunit : int) -> rosetta.numeric.HomogeneousTransform_double_t
Return the homogeneous transform to translate and rotate coordinates
originally in the asymmetric unit into a given destination subunit.
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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
- 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 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 SymmMinimalistNode(SymmOnTheFlyNode) |
| |
- Method resolution order:
- SymmMinimalistNode
- SymmOnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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_last_substititon_not_committed(...) from builtins.PyCapsule
- acknowledge_last_substititon_not_committed(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
update bookkeeping info to acknolwedge that the last alternative state considered was not
in fact chosen for the currently assigned state.
- acknowledge_neighbors_partial_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_partial_state_substitution(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, edge_to_altered_neighbor : int, other_node_new_state : int) -> NoneType
- acknowledge_neighbors_state_substitution(...) from builtins.PyCapsule
- acknowledge_neighbors_state_substitution(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, edge_to_altered_neighbor : int, new_edge_energy : float, other_node_new_state : int) -> NoneType
- assign_state(...) from builtins.PyCapsule
- assign_state(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, new_state : int) -> NoneType
set to a particular state -- updates the energies internally
- assign_zero_state(...) from builtins.PyCapsule
- assign_zero_state(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
set to state 0
- commit_considered_substitution(...) from builtins.PyCapsule
- commit_considered_substitution(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
proceed to change the currently assigned state to the alternative state considered in
the last call to project_deltaE_for_substitution
- complete_state_assignment(...) from builtins.PyCapsule
- complete_state_assignment(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
second half of the entire-graph state assignment.
- compute_pair_energy_for_alternate_state(...) from builtins.PyCapsule
- compute_pair_energy_for_alternate_state(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, edge_making_energy_request : int) -> float
comupute the interaction energy between the alternate state being considered on this residue and
the currently assigned state on a neighboring residue, identified by the index of the edge connecting
the two
- compute_pair_energy_for_current_state(...) from builtins.PyCapsule
- compute_pair_energy_for_current_state(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, edge_making_energy_request : int) -> float
comupute the interaction energy between the currently assigned state on this residue and
the currently assigned state on a neighboring residue, identified by the index of the edge connecting
the two
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> int
- get_adjacent_symmin_node(...) from builtins.PyCapsule
- get_adjacent_symmin_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_symmin_node(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, index : int) -> rosetta.core.pack.interaction_graph.SymmMinimalistNode
2. get_adjacent_symmin_node(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, index : int) -> rosetta.core.pack.interaction_graph.SymmMinimalistNode
- get_current_state(...) from builtins.PyCapsule
- get_current_state(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> int
return the index of the currently assigned state
- get_incident_symmin_edge(...) from builtins.PyCapsule
- get_incident_symmin_edge(*args, **kwargs)
Overloaded function.
1. get_incident_symmin_edge(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, index : int) -> core::pack::interaction_graph::SymmMinimalistEdge
2. get_incident_symmin_edge(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, index : int) -> core::pack::interaction_graph::SymmMinimalistEdge
- get_one_body_energy_current_state(...) from builtins.PyCapsule
- get_one_body_energy_current_state(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> float
return the one-body energy for the currently assigned state
- get_symmin_ig_owner(...) from builtins.PyCapsule
- get_symmin_ig_owner(*args, **kwargs)
Overloaded function.
1. get_symmin_ig_owner(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> core::pack::interaction_graph::SymmMinimalistInteractionGraph
2. get_symmin_ig_owner(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> core::pack::interaction_graph::SymmMinimalistInteractionGraph
- get_totalE(...) from builtins.PyCapsule
- get_totalE(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> float
return the total energy for this node; includes full energies to neighboring residues
- partial_assign_state(...) from builtins.PyCapsule
- partial_assign_state(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, new_state : int) -> NoneType
first half of an entire-graph state assignment that avoids unnecessary energy updates
as produced in assign_state. Adjust all node's states first, then update all energies.
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
symmin ig does not have to do anything before sim annealing begins
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
write internal energy and bookkeeping data to standard out
- print_internal_energies(...) from builtins.PyCapsule
- print_internal_energies(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
- project_deltaE_for_substitution(...) from builtins.PyCapsule
- project_deltaE_for_substitution(self : rosetta.core.pack.interaction_graph.SymmMinimalistNode, alternate_state : int, prev_node_energy : float) -> float
compute the change in energy induced by substituting the currently assigned state with
some alternative state
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> bool
state 0 represents the unasigned state
- update_internal_energy_sums(...) from builtins.PyCapsule
- update_internal_energy_sums(rosetta.core.pack.interaction_graph.SymmMinimalistNode) -> NoneType
Methods inherited from SymmOnTheFlyNode:
- add_to_one_body_energies(...) from builtins.PyCapsule
- add_to_one_body_energies(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- bb_bounding_sphere(...) from builtins.PyCapsule
- bb_bounding_sphere(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, subunit : int) -> (rosetta.numeric.xyzVector_double_t, float)
Returns a bounding sphere for the backbone on a particular subunit.
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, setting : bool) -> NoneType
- get_adjacent_otf_node(...) from builtins.PyCapsule
- get_adjacent_otf_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_otf_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
2. get_adjacent_otf_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
- get_asu_rotamer(...) from builtins.PyCapsule
- get_asu_rotamer(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> rosetta.core.conformation.Residue
Returns a reference to the rotamer object in the asymmetric unit.
- get_incident_otf_edge(...) from builtins.PyCapsule
- get_incident_otf_edge(*args, **kwargs)
Overloaded function.
1. get_incident_otf_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge : int) -> core::pack::interaction_graph::SymmOnTheFlyEdge
2. get_incident_otf_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge : int) -> core::pack::interaction_graph::SymmOnTheFlyEdge
- get_num_res_types(...) from builtins.PyCapsule
- get_num_res_types(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
the number of distinct ResidueType objects pointed to by all of the
rotamrs for this node.
- get_num_restype_groups(...) from builtins.PyCapsule
- get_num_restype_groups(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
the number of ResidueType groups, as defined by the RotamerSet's logic
for grouping different ResidueType objects which have the same "name3" and
the same neighbor radius.
- get_num_states_for_restype_group(...) from builtins.PyCapsule
- get_num_states_for_restype_group(*args, **kwargs)
Overloaded function.
1. get_num_states_for_restype_group(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_restype_group(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> rosetta.utility.vector1_int
3. get_num_states_for_restype_group(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, restype_group : int) -> int
- get_on_the_fly_owner(...) from builtins.PyCapsule
- get_on_the_fly_owner(*args, **kwargs)
Overloaded function.
1. get_on_the_fly_owner(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> core::pack::interaction_graph::SymmOnTheFlyInteractionGraph
2. get_on_the_fly_owner(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> core::pack::interaction_graph::SymmOnTheFlyInteractionGraph
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> float
- get_rotamer(...) from builtins.PyCapsule
- get_rotamer(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, subunit : int) -> rosetta.core.conformation.Residue
Returns a reference to the rotamer object in the requested subunit. This reference
is valid only until the next call to get_rotamer, and which point, the coordinates inside
the requested rotamer may change.
- get_state_offset_for_restype_group(...) from builtins.PyCapsule
- get_state_offset_for_restype_group(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, restype_group : int) -> int
- sc_bounding_sphere(...) from builtins.PyCapsule
- sc_bounding_sphere(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, subunit : int) -> (rosetta.numeric.xyzVector_double_t, float)
Returns a bounding sphere for the sidechain of a given state on a particular subunit.
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, rotamers : rosetta.core.pack.rotamer_set.RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> NoneType
Methods inherited from 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 SymmOnTheFlyEdge(FixedBBEdge) |
| |
- Method resolution order:
- SymmOnTheFlyEdge
- FixedBBEdge
- EdgeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.
- add_ProCorrection_values(...) from builtins.PyCapsule
- add_ProCorrection_values(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_not_necessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> int
- eval_type(...) from builtins.PyCapsule
- eval_type(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_index : int) -> rosetta.core.pack.interaction_graph.ResiduePairEvalType
- force_aa_neighbors(...) from builtins.PyCapsule
- force_aa_neighbors(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- force_all_aa_neighbors(...) from builtins.PyCapsule
- force_all_aa_neighbors(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- get_proline_correction_for_node(...) from builtins.PyCapsule
- get_proline_correction_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, node_ind : int, state : int) -> float
- get_sparse_aa_info(...) from builtins.PyCapsule
- get_sparse_aa_info(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> bool
fullfilling base class virtual member request -- however, this function does not quite
make sense for a symmetric otf ig, so this is just stubbed out to return true.
- get_two_body_energy(...) from builtins.PyCapsule
- get_two_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : int, : int) -> float
- long_range_interactions_exist(...) from builtins.PyCapsule
- long_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> bool
- note_long_range_interactions_exist(...) from builtins.PyCapsule
- note_long_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
- note_short_range_interactions_exist(...) from builtins.PyCapsule
- note_short_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> NoneType
- residues_adjacent_for_subunit_pair(...) from builtins.PyCapsule
- residues_adjacent_for_subunit_pair(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, which_node : int, other_node_subunit : int, whichnode_restypegroup : int, othernode_restypegroup : int) -> int
- set_residues_adjacent_for_subunit_pair(...) from builtins.PyCapsule
- set_residues_adjacent_for_subunit_pair(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, which_node : int, other_node_subunit : int) -> NoneType
- set_sparse_aa_info(...) from builtins.PyCapsule
- set_sparse_aa_info(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge, : ObjexxFCL::FArray2<bool>) -> NoneType
fullfilling base class virtual member request -- however, this funciton does not quite
make sense for a symmetric oft ig so this is just stubbed out as a noop.
- short_range_interactions_exist(...) from builtins.PyCapsule
- short_range_interactions_exist(rosetta.core.pack.interaction_graph.SymmOnTheFlyEdge) -> bool
Methods inherited from EdgeBase:
- 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 SymmOnTheFlyInteractionGraph(FixedBBInteractionGraph) |
| |
- Method resolution order:
- SymmOnTheFlyInteractionGraph
- FixedBBInteractionGraph
- InteractionGraphBase
- AnnealableGraphBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, num_nodes : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- active_score_types(...) from builtins.PyCapsule
- active_score_types(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.utility.vector1_core_scoring_ScoreType
- add_ProCorrection_values_for_edge(...) from builtins.PyCapsule
- add_ProCorrection_values_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int, node_not_neccessarily_proline : int, state : int, bb_nonprobb_E : float, bb_probb_E : float, sc_nonprobb_E : float, sc_probb_E : float) -> NoneType
- add_to_one_body_energy_for_node_state(...) from builtins.PyCapsule
- add_to_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- asymmetric_unit(...) from builtins.PyCapsule
- asymmetric_unit(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- distinguish_backbone_and_sidechain_for_node(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain_for_node(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int) -> bool
2. distinguish_backbone_and_sidechain_for_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int, setting : bool) -> NoneType
- get_num_aatypes(...) from builtins.PyCapsule
- get_num_aatypes(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_num_restype_groups(...) from builtins.PyCapsule
- get_num_restype_groups(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_num_rpe_calculations_count(...) from builtins.PyCapsule
- get_num_rpe_calculations_count(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> int
- get_on_the_fly_node(...) from builtins.PyCapsule
- get_on_the_fly_node(*args, **kwargs)
Overloaded function.
1. get_on_the_fly_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
2. get_on_the_fly_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
- get_one_body_energy_for_node_state(...) from builtins.PyCapsule
- get_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node : int, state : int) -> float
- initialize(...) from builtins.PyCapsule
- initialize(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, rot_sets : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> NoneType
- non_const_pose(...) from builtins.PyCapsule
- non_const_pose(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
debugging only -- modify the pose during simulated annealing, if you're so inclined
- note_long_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_long_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- note_rpe_calculated(...) from builtins.PyCapsule
- note_rpe_calculated(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> NoneType
to be called by owned OTF node only
- note_short_range_interactions_exist_for_edge(...) from builtins.PyCapsule
- note_short_range_interactions_exist_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int) -> NoneType
- pose(...) from builtins.PyCapsule
- pose(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.pose.Pose
- reset_rpe_calculations_count(...) from builtins.PyCapsule
- reset_rpe_calculations_count(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> NoneType
- score_function(...) from builtins.PyCapsule
- score_function(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.scoring.ScoreFunction
- set_one_body_energy_for_node_state(...) from builtins.PyCapsule
- set_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int, one_body_energy : float) -> NoneType
- set_pose(...) from builtins.PyCapsule
- set_pose(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, : rosetta.core.pose.Pose) -> NoneType
- set_residues_adjacent_for_subunit_pair_for_edge(...) from builtins.PyCapsule
- set_residues_adjacent_for_subunit_pair_for_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node1 : int, node2 : int, asu_node_index : int, other_node_subunit : int) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, : rosetta.core.scoring.ScoreFunction) -> NoneType
- symm_info(...) from builtins.PyCapsule
- symm_info(rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph) -> rosetta.core.conformation.symmetry.SymmetryInfo
- symmetric_transform(...) from builtins.PyCapsule
- symmetric_transform(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, dst_subunit : int) -> rosetta.numeric.HomogeneousTransform_double_t
Return the homogeneous transform to translate and rotate coordinates
originally in the asymmetric unit into a given destination subunit.
- zero_one_body_energy_for_node_state(...) from builtins.PyCapsule
- zero_one_body_energy_for_node_state(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyInteractionGraph, node_ind : int, state : int) -> NoneType
Methods inherited from FixedBBInteractionGraph:
- aa_submatrix_energies_retrievable(...) from builtins.PyCapsule
- aa_submatrix_energies_retrievable(rosetta.core.pack.interaction_graph.FixedBBInteractionGraph) -> bool
- aatype_for_node_state(...) from builtins.PyCapsule
- aatype_for_node_state(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node_ind : int, node_state : int) -> int
- force_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> NoneType
interface to FixedBBEdge::force_aa_neighbors
- force_all_aa_neighbors_for_edge(...) from builtins.PyCapsule
- force_all_aa_neighbors_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int) -> NoneType
interface to PDEdge::force_aa_neighbors
- get_aa_submatrix_energies_for_edge(...) from builtins.PyCapsule
- get_aa_submatrix_energies_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> ObjexxFCL::FArray2D<float>
- get_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- get_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, node1aa : int, node2aa : int) -> bool
returns true if node1aa and node2aa are amino acid neighbors
- get_two_body_energy_for_edge(...) from builtins.PyCapsule
- get_two_body_energy_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, state_node1 : int, state_node2 : int) -> float
interface to FixedBBEdge::get_two_body_energy
- returns the state pair energy
- set_sparse_aa_info_for_edge(...) from builtins.PyCapsule
- set_sparse_aa_info_for_edge(self : rosetta.core.pack.interaction_graph.FixedBBInteractionGraph, node1 : int, node2 : int, sparse_conn_info : ObjexxFCL::FArray2<bool>) -> NoneType
interface to PDEdge::set_sparse_aa_info
Methods inherited from 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_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 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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class SymmOnTheFlyNode(FixedBBNode) |
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- Method resolution order:
- SymmOnTheFlyNode
- FixedBBNode
- NodeBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, owner : rosetta.core.pack.interaction_graph.InteractionGraphBase, 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.core.pack.interaction_graph.SymmOnTheFlyNode, energy1b : ObjexxFCL::FArray1<float>) -> NoneType
- add_to_one_body_energy(...) from builtins.PyCapsule
- add_to_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- bb_bounding_sphere(...) from builtins.PyCapsule
- bb_bounding_sphere(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, subunit : int) -> (rosetta.numeric.xyzVector_double_t, float)
Returns a bounding sphere for the backbone on a particular subunit.
- compute_rotamer_pair_energy(...) from builtins.PyCapsule
- compute_rotamer_pair_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge_making_energy_request : int, state_this : int, state_other : int) -> float
- count_dynamic_memory(...) from builtins.PyCapsule
- count_dynamic_memory(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
- count_static_memory(...) from builtins.PyCapsule
- count_static_memory(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
- distinguish_backbone_and_sidechain(...) from builtins.PyCapsule
- distinguish_backbone_and_sidechain(*args, **kwargs)
Overloaded function.
1. distinguish_backbone_and_sidechain(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> bool
2. distinguish_backbone_and_sidechain(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, setting : bool) -> NoneType
- get_adjacent_otf_node(...) from builtins.PyCapsule
- get_adjacent_otf_node(*args, **kwargs)
Overloaded function.
1. get_adjacent_otf_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
2. get_adjacent_otf_node(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, index : int) -> rosetta.core.pack.interaction_graph.SymmOnTheFlyNode
- get_asu_rotamer(...) from builtins.PyCapsule
- get_asu_rotamer(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> rosetta.core.conformation.Residue
Returns a reference to the rotamer object in the asymmetric unit.
- get_incident_otf_edge(...) from builtins.PyCapsule
- get_incident_otf_edge(*args, **kwargs)
Overloaded function.
1. get_incident_otf_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge : int) -> core::pack::interaction_graph::SymmOnTheFlyEdge
2. get_incident_otf_edge(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, edge : int) -> core::pack::interaction_graph::SymmOnTheFlyEdge
- get_num_res_types(...) from builtins.PyCapsule
- get_num_res_types(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
the number of distinct ResidueType objects pointed to by all of the
rotamrs for this node.
- get_num_restype_groups(...) from builtins.PyCapsule
- get_num_restype_groups(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> int
the number of ResidueType groups, as defined by the RotamerSet's logic
for grouping different ResidueType objects which have the same "name3" and
the same neighbor radius.
- get_num_states_for_restype_group(...) from builtins.PyCapsule
- get_num_states_for_restype_group(*args, **kwargs)
Overloaded function.
1. get_num_states_for_restype_group(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> rosetta.utility.vector1_int
2. get_num_states_for_restype_group(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> rosetta.utility.vector1_int
3. get_num_states_for_restype_group(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, restype_group : int) -> int
- get_on_the_fly_owner(...) from builtins.PyCapsule
- get_on_the_fly_owner(*args, **kwargs)
Overloaded function.
1. get_on_the_fly_owner(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> core::pack::interaction_graph::SymmOnTheFlyInteractionGraph
2. get_on_the_fly_owner(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> core::pack::interaction_graph::SymmOnTheFlyInteractionGraph
- get_one_body_energy(...) from builtins.PyCapsule
- get_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> float
- get_rotamer(...) from builtins.PyCapsule
- get_rotamer(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, subunit : int) -> rosetta.core.conformation.Residue
Returns a reference to the rotamer object in the requested subunit. This reference
is valid only until the next call to get_rotamer, and which point, the coordinates inside
the requested rotamer may change.
- get_state_offset_for_restype_group(...) from builtins.PyCapsule
- get_state_offset_for_restype_group(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, restype_group : int) -> int
- sc_bounding_sphere(...) from builtins.PyCapsule
- sc_bounding_sphere(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, subunit : int) -> (rosetta.numeric.xyzVector_double_t, float)
Returns a bounding sphere for the sidechain of a given state on a particular subunit.
- set_one_body_energy(...) from builtins.PyCapsule
- set_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- set_rotamers(...) from builtins.PyCapsule
- set_rotamers(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, rotamers : rosetta.core.pack.rotamer_set.RotamerSet) -> NoneType
- update_one_body_energy(...) from builtins.PyCapsule
- update_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int, energy : float) -> NoneType
- zero_one_body_energies(...) from builtins.PyCapsule
- zero_one_body_energies(rosetta.core.pack.interaction_graph.SymmOnTheFlyNode) -> NoneType
- zero_one_body_energy(...) from builtins.PyCapsule
- zero_one_body_energy(self : rosetta.core.pack.interaction_graph.SymmOnTheFlyNode, state : int) -> NoneType
Methods inherited from 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
- 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
- prepare_for_simulated_annealing(...) from builtins.PyCapsule
- prepare_for_simulated_annealing(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- print(...) from builtins.PyCapsule
- print(rosetta.core.pack.interaction_graph.NodeBase) -> NoneType
- state_unassigned(...) from builtins.PyCapsule
- state_unassigned(rosetta.core.pack.interaction_graph.NodeBase) -> bool
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