![]() |
Rosetta Core
2014.35
|
#include <SymmLinMemInteractionGraph.hh>
Public Member Functions | |
SymmLinearMemEdge (InteractionGraphBase *owner, int first_node_ind, int second_node_ind) | |
virtual | ~SymmLinearMemEdge () |
virtual core::PackerEnergy | get_two_body_energy (int const node1state, int const node2state) const |
virtual void | prepare_for_simulated_annealing () |
core::PackerEnergy | get_current_two_body_energy () const |
void | acknowledge_state_change (int node_ind, int new_state, int bumped_recent_history_index, int new_state_recent_history_index, core::PackerEnergy &new_energy) |
void | acknowledge_state_zeroed (int node_ind) |
void | acknowledge_partial_state_change (int node_ind, int new_state, int bumped_recent_history_index, int new_state_recent_history_index) |
core::PackerEnergy | get_energy_following_partial_state_assignment () |
void | reset_state_energies (int node_index, int state, int recent_history_id) |
core::PackerEnergy | get_energy_for_alt_state (bool store_rpes, int changing_node_index, int alternate_state, int alternate_state_recent_history_index, int other_node_curr_state, int other_node_state_recent_history_index) |
void | acknowledge_substitution (int substituted_node_index, core::PackerEnergy const curr_state_energy, int nodes_new_state, int bumped_recent_history_index, int new_state_recent_history_index, int neighbors_curr_state) |
int | get_two_body_table_size () const |
virtual void | declare_energies_final () |
void | print_current_energy () const |
virtual unsigned int | count_static_memory () const |
virtual unsigned int | count_dynamic_memory () const |
virtual void | set_edge_weight (Real weight) |
SymmLinearMemNode const * | get_symmlinmem_node (int index) const |
SymmLinearMemNode * | get_symmlinmem_node (int index) |
SymmLinearMemoryInteractionGraph const * | get_symmlinmem_ig_owner () const |
SymmLinearMemoryInteractionGraph * | get_symmlinmem_ig_owner () |
![]() | |
virtual | ~SymmOnTheFlyEdge () |
SymmOnTheFlyEdge (InteractionGraphBase *owner, int first_node_ind, int second_node_ind) | |
void | add_ProCorrection_values (int node_not_necessarily_proline, int state, core::PackerEnergy bb_nonprobb_E, core::PackerEnergy bb_probb_E, core::PackerEnergy sc_nonprobb_E, core::PackerEnergy sc_probb_E) |
core::PackerEnergy | get_proline_correction_for_node (int node_ind, int state) const |
bool | long_range_interactions_exist () const |
bool | short_range_interactions_exist () const |
void | note_long_range_interactions_exist () |
void | note_short_range_interactions_exist () |
ResiduePairEvalType | eval_type (int node_index) const |
void | set_residues_adjacent_for_subunit_pair (int which_node, int other_node_subunit) |
unsigned char | residues_adjacent_for_subunit_pair (int which_node, int other_node_subunit, int whichnode_restypegroup, int othernode_restypegroup) const |
virtual void | set_sparse_aa_info (ObjexxFCL::FArray2_bool const &) |
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. More... | |
virtual bool | get_sparse_aa_info (int, int) const |
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. More... | |
virtual void | force_aa_neighbors (int, int) |
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. More... | |
virtual void | force_all_aa_neighbors () |
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. More... | |
![]() | |
virtual | ~FixedBBEdge () |
FixedBBEdge (InteractionGraphBase *owner, int first_node_ind, int second_node_ind) | |
![]() | |
virtual | ~EdgeBase () |
copy constructor, do not use More... | |
EdgeBase (InteractionGraphBase *owner, int first_node_ind, int second_node_ind) | |
main constructor for edge, no default nor copy constructors More... | |
int | get_other_ind (int callers_index) const |
returns the index of the other node that the edge is incident upon More... | |
NodeBase * | get_other_node (int callers_index) const |
returns a pointer to the other node that the edge is incident upon More... | |
int | get_first_node_ind () const |
returns the index of the smaller-indexed node More... | |
int | get_second_node_ind () const |
returns the index of the larger-indexed node More... | |
void | set_pos_in_owners_list (std::list< EdgeBase * >::iterator edge_iterator) |
edge keeps iterator to its position in it's owner's edge list More... | |
void | set_pos_in_node_edgevector (int callers_index, int position) |
edge keeps index it has in node_ind's edge vector More... | |
bool | same_edge (int node1, int node2) const |
returns true if this edge connects nodes of index node1 and node2 the order of node1 and node2 is not important More... | |
Real | edge_weight () const |
InteractionGraphBase const * | get_owner () const |
InteractionGraphBase * | get_owner () |
Static Public Attributes | |
static core::PackerEnergy const | NOT_YET_COMPUTED_ENERGY = -1234 |
Private Member Functions | |
void | handle_bumped_recent_history_state_for_node (int node_substituted, int node_not_substituted, int bumped_recent_history_index) |
void | store_curr_state_energy () |
void | wipe (int node) |
SymmLinearMemEdge () | |
SymmLinearMemEdge (SymmLinearMemEdge const &) | |
SymmLinearMemEdge & | operator= (SymmLinearMemEdge const &) |
Private Attributes | |
bool | store_rpes_ [2] |
ObjexxFCL::FArray2D < core::PackerEnergy > | stored_rpes_ [2] |
core::PackerEnergy | curr_state_energy_ |
core::PackerEnergy | alt_state_energy_ |
bool | partial_state_assignment_ |
bool | preped_for_sim_annealing_ |
Additional Inherited Members | |
![]() | |
core::PackerEnergy | get_proline_correction (int which_node, int state) const |
SymmOnTheFlyNode const * | get_otf_node (int which_node) const |
SymmOnTheFlyNode * | get_otf_node (int which_node) |
SymmOnTheFlyInteractionGraph const * | get_otf_owner () const |
SymmOnTheFlyInteractionGraph * | get_otf_owner () |
![]() | |
int | get_node_index (int index) const |
int | get_num_states_for_node (int index) const |
NodeBase const * | get_node (int index) const |
NodeBase * | get_node (int index) |
int | get_edges_position_in_nodes_edge_vector (int index) const |
int | which_node (int node_index) const |
is a node the first or second node this edge is incident upon? More... | |
void | edge_weight (Real) |
protected setter of the edge weight. To be called by derived classes after they have completed the conversion from the previous edge weighting to the new edge weighting. More... | |
core::pack::interaction_graph::SymmLinearMemEdge::SymmLinearMemEdge | ( | InteractionGraphBase * | owner, |
int | first_node_ind, | ||
int | second_node_ind | ||
) |
References store_rpes_.
|
virtual |
|
private |
Referenced by count_static_memory().
|
private |
void core::pack::interaction_graph::SymmLinearMemEdge::acknowledge_partial_state_change | ( | int | node_ind, |
int | new_state, | ||
int | bumped_recent_history_index, | ||
int | new_state_recent_history_index | ||
) |
References curr_state_energy_, core::pack::interaction_graph::EdgeBase::get_edges_position_in_nodes_edge_vector(), core::pack::interaction_graph::EdgeBase::get_node_index(), get_symmlinmem_node(), handle_bumped_recent_history_state_for_node(), and partial_state_assignment_.
Referenced by core::pack::interaction_graph::SymmLinearMemNode::partial_assign_state().
void core::pack::interaction_graph::SymmLinearMemEdge::acknowledge_state_change | ( | int | node_ind, |
int | new_state, | ||
int | bumped_recent_history_index, | ||
int | new_state_recent_history_index, | ||
core::PackerEnergy & | new_energy | ||
) |
References curr_state_energy_, core::pack::interaction_graph::EdgeBase::get_edges_position_in_nodes_edge_vector(), core::pack::interaction_graph::EdgeBase::get_node_index(), get_symmlinmem_node(), handle_bumped_recent_history_state_for_node(), and store_curr_state_energy().
Referenced by core::pack::interaction_graph::SymmLinearMemNode::assign_state().
void core::pack::interaction_graph::SymmLinearMemEdge::acknowledge_state_zeroed | ( | int | node_ind | ) |
|
inline |
References curr_state_energy_, core::pack::interaction_graph::EdgeBase::get_edges_position_in_nodes_edge_vector(), core::pack::interaction_graph::EdgeBase::get_node_index(), get_symmlinmem_node(), handle_bumped_recent_history_state_for_node(), and stored_rpes_.
Referenced by core::pack::interaction_graph::SymmLinearMemNode::commit_considered_substitution().
|
virtual |
Reimplemented from core::pack::interaction_graph::SymmOnTheFlyEdge.
References core::pack::interaction_graph::SymmOnTheFlyEdge::count_dynamic_memory(), and stored_rpes_.
|
virtual |
Implements core::pack::interaction_graph::SymmOnTheFlyEdge.
References SymmLinearMemEdge().
|
virtual |
Implements core::pack::interaction_graph::EdgeBase.
core::PackerEnergy core::pack::interaction_graph::SymmLinearMemEdge::get_current_two_body_energy | ( | ) | const |
References curr_state_energy_.
Referenced by core::pack::interaction_graph::SymmLinearMemNode::update_internal_energy_sums().
core::PackerEnergy core::pack::interaction_graph::SymmLinearMemEdge::get_energy_following_partial_state_assignment | ( | ) |
core::PackerEnergy core::pack::interaction_graph::SymmLinearMemEdge::get_energy_for_alt_state | ( | bool | store_rpes, |
int | changing_node_index, | ||
int | alternate_state, | ||
int | alternate_state_recent_history_index, | ||
int | other_node_curr_state, | ||
int | other_node_state_recent_history_index | ||
) |
References core::pack::interaction_graph::debug, and core::pack::interaction_graph::T.
|
inline |
|
inline |
|
inline |
References core::pack::interaction_graph::EdgeBase::get_node().
Referenced by acknowledge_partial_state_change(), acknowledge_state_change(), acknowledge_state_zeroed(), acknowledge_substitution(), get_energy_following_partial_state_assignment(), prepare_for_simulated_annealing(), and store_curr_state_energy().
|
inline |
|
virtual |
Implements core::pack::interaction_graph::SymmOnTheFlyEdge.
int core::pack::interaction_graph::SymmLinearMemEdge::get_two_body_table_size | ( | ) | const |
References core::io::serialization::size(), and stored_rpes_.
|
private |
Referenced by acknowledge_partial_state_change(), acknowledge_state_change(), and acknowledge_substitution().
|
private |
|
virtual |
void core::pack::interaction_graph::SymmLinearMemEdge::print_current_energy | ( | ) | const |
|
virtual |
DANGER: this will not update the cached energies on the nodes this edge is incident upon.
Implements core::pack::interaction_graph::EdgeBase.
References core::pack::interaction_graph::EdgeBase::edge_weight(), NOT_YET_COMPUTED_ENERGY, and stored_rpes_.
|
private |
References curr_state_energy_, core::pack::interaction_graph::SymmLinearMemNode::get_curr_state_recent_state_id(), core::pack::interaction_graph::SymmLinearMemNode::get_current_state(), get_symmlinmem_node(), store_rpes_, and stored_rpes_.
Referenced by acknowledge_state_change(), and get_energy_following_partial_state_assignment().
|
private |
References NOT_YET_COMPUTED_ENERGY, and stored_rpes_.
Referenced by prepare_for_simulated_annealing().
|
private |
|
private |
|
static |
Referenced by prepare_for_simulated_annealing(), reset_state_energies(), set_edge_weight(), and wipe().
|
private |
Referenced by acknowledge_partial_state_change(), and get_energy_following_partial_state_assignment().
|
private |
Referenced by prepare_for_simulated_annealing().
|
private |
Referenced by prepare_for_simulated_annealing(), store_curr_state_energy(), and SymmLinearMemEdge().
|
private |