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

#include <FlexbbInteractionGraph.hh>

Public Types

typedef
core::pack::interaction_graph::EdgeBase 
parent
 
typedef core::PackerEnergy PackerEnergy
 
typedef core::Real Real
 
typedef core::Size Size
 

Public Member Functions

 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...
 
virtual unsigned int count_dynamic_memory () const
 
PackerEnergy cur_energy () const
 
PackerEnergy alt_energy () const
 
- Public Member Functions inherited from core::pack::interaction_graph::EdgeBase
virtual void declare_energies_final ()=0
 
virtual void prepare_for_simulated_annealing ()=0
 
virtual unsigned int count_static_memory () const =0
 
virtual void set_edge_weight (Real weight)=0
 

Protected Member Functions

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)
 

Private Member Functions

 FlexbbEdge ()
 
 FlexbbEdge (FlexbbEdge const &)
 

Private Attributes

bool const nodes_part_of_same_flexseg_
 
int nodes_num_bb_ [2]
 
int nodes_cur_state_ [2]
 
FlexbbSparseMatrixIndex nodes_cur_info_ [2]
 
int nodes_alt_state_ [2]
 
FlexbbSparseMatrixIndex nodes_alt_info_ [2]
 
PackerEnergy cur_energy_
 
PackerEnergy alt_energy_
 
bool alt_e_up_to_date_
 
bool nodes_considering_bb_move_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::flexpack::interaction_graph::FlexbbEdge::FlexbbEdge ( FlexbbInteractionGraph owner,
int  first_node_ind,
int  second_node_ind 
)
protocols::flexpack::interaction_graph::FlexbbEdge::~FlexbbEdge ( )
virtual
protocols::flexpack::interaction_graph::FlexbbEdge::FlexbbEdge ( )
private
protocols::flexpack::interaction_graph::FlexbbEdge::FlexbbEdge ( FlexbbEdge const &  )
private

Member Function Documentation

void protocols::flexpack::interaction_graph::FlexbbEdge::acknowledge_partial_state_assignment ( int  node_index,
int  new_state,
FlexbbSparseMatrixIndex const &  state_info 
)
bool protocols::flexpack::interaction_graph::FlexbbEdge::alt_e_up_to_date ( ) const
inlineprotected
PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::alt_energy ( ) const
inline
void protocols::flexpack::interaction_graph::FlexbbEdge::copy_alternate_to_current ( )
protected
unsigned int protocols::flexpack::interaction_graph::FlexbbEdge::count_dynamic_memory ( ) const
virtual
PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::cur_energy ( ) const
inline
FlexbbNode const* protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbb_node ( int  index) const
inlineprotected
FlexbbNode* protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbb_node ( int  index)
inlineprotected
FlexbbInteractionGraph const * protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbbig_owner ( ) const
inlineprotected
FlexbbInteractionGraph * protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbbig_owner ( )
inlineprotected
bool protocols::flexpack::interaction_graph::FlexbbEdge::get_nodes_from_same_flexseg ( ) const
inline
FlexbbSparseMatrixIndex const& protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_info ( int  node) const
inlineprotected
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_state ( int  node) const
inlineprotected
bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_considering_bb_move ( ) const
inlineprotected
FlexbbSparseMatrixIndex const& protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_info ( int  node) const
inlineprotected
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_state ( int  node) const
inlineprotected
bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_part_of_same_flexseg ( ) const
inlineprotected
void protocols::flexpack::interaction_graph::FlexbbEdge::note_state_substitution_accepted ( )
int protocols::flexpack::interaction_graph::FlexbbEdge::num_bb ( int  node)
inlineprotected
void protocols::flexpack::interaction_graph::FlexbbEdge::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.

References alt_e_up_to_date_, alt_energy_, cur_energy_, nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, and nodes_cur_state_.

Referenced by protocols::flexpack::interaction_graph::FlexbbNode::inform_edges_considered_fixedbb_substition_uncommitted(), and protocols::flexpack::interaction_graph::MinimalistFlexbbNode::resolve_uncommitted_substitution().

void protocols::flexpack::interaction_graph::FlexbbEdge::set_alt_energy ( PackerEnergy  setting)
inlineprotected
void protocols::flexpack::interaction_graph::FlexbbEdge::set_alt_state ( int  node_index,
int  alternate_state,
FlexbbSparseMatrixIndex const &  alt_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_.

during backbone-moving rotamer substitutions, the nodes on flexible segments must inform their edges of their new states.

References alt_e_up_to_date_, protocols::flexpack::interaction_graph::FlexbbSparseMatrixIndex::get_bb(), nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, nodes_cur_state_, and nodes_part_of_same_flexseg_.

Referenced by protocols::flexpack::interaction_graph::FlexbbNode::inform_edges_of_alt_state_before_bbjump(), and protocols::flexpack::interaction_graph::MinimalistFlexbbNode::project_deltaE_for_substitution().

void protocols::flexpack::interaction_graph::FlexbbEdge::set_cur_energy ( PackerEnergy  setting)
inlineprotected

References cur_energy_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_node_state_to_zero ( int  which_node)
protected
void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_alt_info ( int  node,
FlexbbSparseMatrixIndex const &  setting 
)
inlineprotected

References nodes_alt_info_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_alt_state ( int  node,
int  setting 
)
inlineprotected

Set the altnernate state being considered for a node; node == 0 || 1.

References nodes_alt_state_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_considering_bb_move ( bool  status)
inlineprotected
void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_cur_info ( int  node,
FlexbbSparseMatrixIndex const &  setting 
)
inlineprotected

References nodes_cur_info_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_cur_state ( int  node,
int  setting 
)
inlineprotected

Set the currently assigned state for a node; node == 0 || 1.

References nodes_cur_state_.

Member Data Documentation

bool protocols::flexpack::interaction_graph::FlexbbEdge::alt_e_up_to_date_
private
PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::alt_energy_
private
PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::cur_energy_
private
FlexbbSparseMatrixIndex protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_info_[2]
private
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_state_[2]
private
bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_considering_bb_move_
private
FlexbbSparseMatrixIndex protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_info_[2]
private
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_state_[2]
private
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_num_bb_[2]
private

Referenced by FlexbbEdge(), and num_bb().

bool const protocols::flexpack::interaction_graph::FlexbbEdge::nodes_part_of_same_flexseg_
private

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