Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
protocols::flexpack::interaction_graph::FlexbbEdge Class Reference

#include <FlexbbInteractionGraph.hh>

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List of all members.

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_.
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.
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.
virtual unsigned int count_dynamic_memory () const
PackerEnergy cur_energy () const
PackerEnergy alt_energy () const

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.
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.
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::FlexbbEdge::FlexbbEdge ( FlexbbInteractionGraph owner,
int  first_node_ind,
int  second_node_ind 
)
protocols::flexpack::interaction_graph::FlexbbEdge::~FlexbbEdge ( ) [virtual]

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 [inline, protected]
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 [inline, protected]
FlexbbNode* protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbb_node ( int  index) [inline, protected]
FlexbbInteractionGraph const * protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbbig_owner ( ) const [inline, protected]
FlexbbInteractionGraph * protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbbig_owner ( ) [inline, protected]
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 [inline, protected]
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_state ( int  node) const [inline, protected]
bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_considering_bb_move ( ) const [inline, protected]
FlexbbSparseMatrixIndex const& protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_info ( int  node) const [inline, protected]
int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_state ( int  node) const [inline, protected]
bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_part_of_same_flexseg ( ) const [inline, protected]
void protocols::flexpack::interaction_graph::FlexbbEdge::note_state_substitution_accepted ( )
int protocols::flexpack::interaction_graph::FlexbbEdge::num_bb ( int  node) [inline, protected]
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.

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) [inline, protected]
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 protocols::flexpack::interaction_graph::FlexbbSparseMatrixIndex::get_bb(), and core::pack::interaction_graph::EdgeBase::which_node().

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) [inline, protected]
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 
) [inline, protected]
void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_alt_state ( int  node,
int  setting 
) [inline, protected]

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

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_considering_bb_move ( bool  status) [inline, protected]
void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_cur_info ( int  node,
FlexbbSparseMatrixIndex const &  setting 
) [inline, protected]
void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_cur_state ( int  node,
int  setting 
) [inline, protected]

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


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