Rosetta Protocols  2014.35
Public Types | Public Member Functions | Protected Member Functions | List of all members
protocols::flexpack::interaction_graph::MinimalistFlexbbEdge Class Reference

#include <MinimalistFlexbbInteractionGraph.hh>

Public Types

typedef OTFFlexbbEdge parent
 
typedef core::Real Real
 
- Public Types inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge
typedef FlexbbEdge parent
 
typedef core::conformation::Residue Residue
 
typedef ObjexxFCL::FArray2D
< PackerEnergy
FArray2D_PackerEnergy
 
- Public Types inherited from protocols::flexpack::interaction_graph::FlexbbEdge
typedef
core::pack::interaction_graph::EdgeBase 
parent
 
typedef core::PackerEnergy PackerEnergy
 
typedef core::Real Real
 
typedef core::Size Size
 

Public Member Functions

 MinimalistFlexbbEdge (MinimalistFlexbbInteractionGraph *owner, int node1, int node2)
 EDGE. More...
 
 ~MinimalistFlexbbEdge ()
 
virtual void declare_energies_final ()
 Virtual functions from EdgeBase. More...
 
virtual void prepare_for_simulated_annealing ()
 
virtual void set_edge_weight (Real weight)
 
PackerEnergy get_alt_stateE ()
 
void acknowledge_substitution (int node_changing_state)
 
void acknowledge_state_zeroed (int node_index)
 
virtual unsigned int count_static_memory () const
 
virtual unsigned int count_dynamic_memory () const
 
- Public Member Functions inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge
 OTFFlexbbEdge (OTFFlexbbInteractionGraph *owner, int node1, int node2)
 EDGE. More...
 
virtual ~OTFFlexbbEdge ()
 
PackerEnergy compute_samebbconf_alternate_state_energy_first_node ()
 
PackerEnergy compute_samebbconf_alternate_state_energy_second_node ()
 
PackerEnergy compute_altbbconf_alternate_state_energy ()
 
void otfedge_note_substitution_accepted ()
 
void set_ProCorrection_values (int node_not_necessarily_proline, int state, int other_bb, PackerEnergy bb_nonprobb_E, PackerEnergy bb_probb_E, PackerEnergy sc_nonprobb_E, PackerEnergy sc_probb_E)
 
void set_GlyCorrection_values (int node_not_necessarily_glycine, int state, int other_bb, PackerEnergy bb_nonglybb_E, PackerEnergy bb_glybb_E, PackerEnergy sc_nonglybb_E, PackerEnergy sc_glybb_E)
 
void note_long_range_interactions_exist ()
 
void print_alt_energies () const
 
- Public Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbEdge
 FlexbbEdge (FlexbbInteractionGraph *owner, int first_node_ind, int second_node_ind)
 
virtual ~FlexbbEdge ()
 
bool get_nodes_from_same_flexseg () const
 
void set_alt_state (int node_index, int new_state, FlexbbSparseMatrixIndex const &state_info)
 Called by FlexbbNode in prepare_for_bb_jump: Edges must know the alternate states that nodes are considering. Precondition: alt_state_ for a fixed node must match its cur_state_. More...
 
void acknowledge_partial_state_assignment (int node_index, int new_state, FlexbbSparseMatrixIndex const &state_info)
 
void note_state_substitution_accepted ()
 Copy alt data to current data after a state substitution. More...
 
void reset_alternate_states_for_uncommited_substitution ()
 After a rejected state substitution, the FlexbbNode will call this function to reset the alt_state data to establish the invariant that the alternate state held on the flexbb edges reflect the the current state of those nodes not considering a state substitution. More...
 
PackerEnergy cur_energy () const
 
PackerEnergy alt_energy () const
 

Protected Member Functions

MinimalistFlexbbNode const * get_minimalistflexbb_node (int index) const
 Downcasts. More...
 
MinimalistFlexbbNodeget_minimalistflexbb_node (int index)
 
MinimalistFlexbbInteractionGraph
const * 
get_minimalistflexbbig_owner () const
 
MinimalistFlexbbInteractionGraphget_minimalistflexbbig_owner ()
 
- Protected Member Functions inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge
OTFFlexbbNode const * get_otfflexbb_node (int index) const
 Downcasts. More...
 
OTFFlexbbNodeget_otfflexbb_node (int index)
 
OTFFlexbbInteractionGraph const * get_otfflexbbig_owner () const
 
OTFFlexbbInteractionGraphget_otfflexbbig_owner ()
 
Residue const & alt_rot (int which_node) const
 
void zero_state_on_node (int which_node)
 
- Protected Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbEdge
FlexbbNode const * get_flexbb_node (int index) const
 
FlexbbNodeget_flexbb_node (int index)
 
FlexbbInteractionGraph const * get_flexbbig_owner () const
 
FlexbbInteractionGraphget_flexbbig_owner ()
 
int num_bb (int node)
 
bool nodes_part_of_same_flexseg () const
 
bool nodes_considering_bb_move () const
 
void set_nodes_considering_bb_move (bool status)
 
int nodes_cur_state (int node) const
 
FlexbbSparseMatrixIndex const & nodes_cur_info (int node) const
 
int nodes_alt_state (int node) const
 
FlexbbSparseMatrixIndex const & nodes_alt_info (int node) const
 
bool alt_e_up_to_date () const
 
void set_nodes_cur_state (int node, int setting)
 Set the currently assigned state for a node; node == 0 || 1. More...
 
void set_nodes_cur_info (int node, FlexbbSparseMatrixIndex const &setting)
 
void set_nodes_alt_state (int node, int setting)
 Set the altnernate state being considered for a node; node == 0 || 1. More...
 
void set_nodes_alt_info (int node, FlexbbSparseMatrixIndex const &setting)
 
void set_cur_energy (PackerEnergy setting)
 
void set_alt_energy (PackerEnergy setting)
 
void copy_alternate_to_current ()
 
void set_node_state_to_zero (int which_node)
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::MinimalistFlexbbEdge ( MinimalistFlexbbInteractionGraph owner,
int  node1,
int  node2 
)

EDGE.

Referenced by count_static_memory().

protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::~MinimalistFlexbbEdge ( )

Member Function Documentation

void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_state_zeroed ( int  node_index)
void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_substitution ( int  node_changing_state)
unsigned int protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::count_dynamic_memory ( ) const
virtual
unsigned int protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::count_static_memory ( ) const
virtual
void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::declare_energies_final ( )
virtual

Virtual functions from EdgeBase.

Implements core::pack::interaction_graph::EdgeBase.

MinimalistFlexbbEdge::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_alt_stateE ( )
MinimalistFlexbbNode const * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbb_node ( int  index) const
inlineprotected

Downcasts.

Edge Downcasts.

Referenced by acknowledge_substitution().

MinimalistFlexbbNode * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbb_node ( int  index)
inlineprotected
MinimalistFlexbbInteractionGraph const * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbbig_owner ( ) const
inlineprotected
MinimalistFlexbbInteractionGraph * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbbig_owner ( )
inlineprotected
void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::prepare_for_simulated_annealing ( )
virtual
void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::set_edge_weight ( Real  weight)
virtual

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