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core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G > Class Template Reference

Defines an edge between a FirstClass (NPDHBondNode) and a background node (NPDHBondBackgroundNode) More...

#include <NPDHBondInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >:
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Public Types

typedef
BackgroundToFirstClassEdge< V,
E, G
parent
 
- Public Types inherited from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >
typedef std::list
< BackgroundToFirstClassEdge
< V, E, G > * >::iterator 
BackgroundEdgeListIter
 

Public Member Functions

 NPDHBondBackgroundEdge (AdditionalBackgroundNodesInteractionGraph< V, E, G > *owner, int first_class_node_index, int background_node_index)
 main constructor More...
 
 ~NPDHBondBackgroundEdge () override
 
void prepare_for_simulated_annealing () override
 
void acknowledge_state_zeroed (Size node_seqpos)
 respond to when one of its vertices enters the "unassigned" state. More...
 
void acknowledge_substitution (bool update_hbonds)
 bookkeeping in response to the NPDHBondNode committing the considered substitution More...
 
unsigned int count_static_memory () const override
 
unsigned int count_dynamic_memory () const override
 Returns an int representing the amount of memory in bytes used by this node. More...
 
void consider_alternate_state_step1 (int state_index, conformation::Residue const &alt_state, utility::vector1< NPDHBondOP > &res_hbonds, utility::vector1< utility::vector1< NPDHBondOP > > &atom_hbonds, utility::vector1< char > &hbonding_to_res)
 
Real consider_alternate_state_step2 (utility::vector1< char > const &hbonding_to_res)
 
- Public Member Functions inherited from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >
virtual ~BackgroundToFirstClassEdge ()
 virtual destructor. The edge removes itself from the graph by informing the two vertices its incident upon to drop it from their edge lists. Constant time edge removal. More...
 
 BackgroundToFirstClassEdge (AdditionalBackgroundNodesInteractionGraph< V, E, G > *owner, int fc_node_index, int bg_node_index)
 BackgroundToFirstClassEdge constructor - no default or copy constructors; no operator =. More...
 
int get_first_class_node_index () const
 
int get_background_node_index () const
 
int get_other_ind (FirstClassNode< V, E, G > *) const
 returns the index of the second class node More...
 
int get_other_ind (BackgroundNode< V, E, G > *) const
 returns the index of the first class node More...
 
FirstClassNode< V, E, G > * get_other_node (BackgroundNode< V, E, G > *) const
 returns a pointer to the first class node More...
 
BackgroundNode< V, E, G > * get_other_node (FirstClassNode< V, E, G > *) const
 returns a pointer to the second class node More...
 
void set_pos_in_owners_list (BackgroundEdgeListIter)
 stores the iterator to this edge in the owning graph's list of background-to-first-class edges. More...
 
void set_pos_in_node_edgevector (FirstClassNode< V, E, G > *caller, int pos)
 stores the index of this edge in its first class node's edge vector More...
 
void set_pos_in_node_edgevector (BackgroundNode< V, E, G > *caller, int pos)
 stores the index of this edge in its second class node's edge vector More...
 
bool same_edge (int fc_node_index, int bg_node_index) const
 returns true if this node is incident upon the two input vertex indices More...
 
bool bgtfce_marked_for_deletion ()
 

Protected Member Functions

NPDHBondNode< V, E, G > const * get_npd_hbond_node () const
 
NPDHBondNode< V, E, G > * get_npd_hbond_node ()
 
NPDHBondBackgroundNode< V, E,
G > const * 
get_npd_hbond_bg_node () const
 
NPDHBondBackgroundNode< V, E, G > * get_npd_hbond_bg_node ()
 
NPDHBondInteractionGraph< V, E,
G > const * 
get_npd_hbond_owner () const
 
NPDHBondInteractionGraph< V, E,
G > * 
get_npd_hbond_owner ()
 
- Protected Member Functions inherited from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >
FirstClassNode< V, E, G > * get_first_class_node () const
 
BackgroundNode< V, E, G > * get_background_node () const
 
AdditionalBackgroundNodesInteractionGraph
< V, E, G > * 
get_owner () const
 
void bgtfce_mark_edge_for_deletion ()
 

Private Member Functions

 NPDHBondBackgroundEdge ()
 
 NPDHBondBackgroundEdge (NPDHBondBackgroundEdge< V, E, G > const &)
 
NPDHBondBackgroundEdge< V, E, G > & operator= (NPDHBondBackgroundEdge< V, E, G > const &)
 

Private Attributes

bool prepared_for_simA_
 
Size bg_res_num_atoms_
 
int nodes_curr_state_
 
int nodes_alt_state_
 

Detailed Description

template<typename V, typename E, typename G>
class core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >

Defines an edge between a FirstClass (NPDHBondNode) and a background node (NPDHBondBackgroundNode)

In addition to implementing the virtual base class methods, this class additionally defines methods relating to keeping track of data relating to SASA/hpatch.

Member Typedef Documentation

template<typename V, typename E, typename G>
typedef BackgroundToFirstClassEdge< V, E, G > core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::parent

Constructor & Destructor Documentation

template<typename V , typename E , typename G >
core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::NPDHBondBackgroundEdge ( AdditionalBackgroundNodesInteractionGraph< V, E, G > *  owner,
int  first_class_node_index,
int  background_node_index 
)

main constructor

template<typename V , typename E , typename G >
core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::~NPDHBondBackgroundEdge ( )
override
template<typename V, typename E, typename G>
core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::NPDHBondBackgroundEdge ( )
private
template<typename V, typename E, typename G>
core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::NPDHBondBackgroundEdge ( NPDHBondBackgroundEdge< V, E, G > const &  )
private

Member Function Documentation

template<typename V , typename E , typename G >
void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::acknowledge_state_zeroed ( Size  node_seqpos)

respond to when one of its vertices enters the "unassigned" state.

called during the NPDHBIG::blanket_assign_state_0 -> NPDHBondNode::assign_zero_state() cascade of calls.

template<typename V , typename E , typename G >
void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::acknowledge_substitution ( bool  update_hbonds)

bookkeeping in response to the NPDHBondNode committing the considered substitution

template<typename V , typename E , typename G >
void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::consider_alternate_state_step1 ( int  state_index,
conformation::Residue const &  alt_state,
utility::vector1< NPDHBondOP > &  res_hbonds,
utility::vector1< utility::vector1< NPDHBondOP > > &  atom_hbonds,
utility::vector1< char > &  hbonding_to_res 
)
template<typename V , typename E , typename G >
Real core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::consider_alternate_state_step2 ( utility::vector1< char > const &  hbonding_to_res)
template<typename V , typename E , typename G >
unsigned int core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::count_dynamic_memory ( ) const
overridevirtual

Returns an int representing the amount of memory in bytes used by this node.

Remarks
return 0 because no memory is dynamically allocated for these edges.

Reimplemented from core::pack::interaction_graph::BackgroundToFirstClassEdge< V, E, G >.

template<typename V , typename E , typename G >
unsigned int core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::count_static_memory ( ) const
overridevirtual
template<typename V, typename E, typename G>
NPDHBondBackgroundNode< V, E, G > const* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_bg_node ( ) const
inlineprotected
template<typename V, typename E, typename G>
NPDHBondBackgroundNode< V, E, G >* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_bg_node ( )
inlineprotected
template<typename V, typename E, typename G>
NPDHBondNode< V, E, G > const* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_node ( ) const
inlineprotected
template<typename V, typename E, typename G>
NPDHBondNode< V, E, G >* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_node ( )
inlineprotected
template<typename V, typename E, typename G>
NPDHBondInteractionGraph< V, E, G > const* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_owner ( ) const
inlineprotected
template<typename V, typename E, typename G>
NPDHBondInteractionGraph< V, E, G >* core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::get_npd_hbond_owner ( )
inlineprotected
template<typename V, typename E, typename G>
NPDHBondBackgroundEdge< V, E, G >& core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::operator= ( NPDHBondBackgroundEdge< V, E, G > const &  )
private
template<typename V , typename E , typename G >
void core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::prepare_for_simulated_annealing ( )
overridevirtual

Member Data Documentation

template<typename V, typename E, typename G>
Size core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::bg_res_num_atoms_
private
template<typename V, typename E, typename G>
int core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::nodes_alt_state_
private
template<typename V, typename E, typename G>
int core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::nodes_curr_state_
private
template<typename V, typename E, typename G>
bool core::pack::interaction_graph::NPDHBondBackgroundEdge< V, E, G >::prepared_for_simA_
private

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