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core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData Class Reference

#include <BuriedUnsatPenaltyGraph.hh>

Inheritance diagram for core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData:
Inheritance graph
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Public Member Functions

 BuriedUnsatPenaltyEdgeData ()
 Constructor. More...
 
 BuriedUnsatPenaltyEdgeData (BuriedUnsatPenaltyEdgeData const &)=delete
 Copy constructor – explicitly deleted. More...
 
 ~BuriedUnsatPenaltyEdgeData () override=default
 Destructor. More...
 
utility::vector1
< BuriedUnsatPenaltyGraphHbond >
const & 
hbonds_list () const
 Access the hbonds list (const access). More...
 
void add_hbond (bool const lower_numbered_node_is_acceptor, core::Size const acceptor_group, core::Size const donor_group, core::Real const hbond_energy, core::Size const lower_numbered_node_symmetry_copy_index, core::Size const higher_numbered_node_symmetry_copy_index)
 Add a hydrogen bond to a newly-created edge data object. More...
 

Private Attributes

utility::vector1
< BuriedUnsatPenaltyGraphHbond
hbonds_list_
 A list of all of the hydrogen bonds between two residues. More...
 

Friends

class ::BuriedUnsatPenaltyGraphTests
 
class ::BuriedUnsatPenaltyGraphSymmetricTests
 
class ::BuriedUnsatPenaltyTests
 
class ::BuriedUnsatPenaltySymmetricTests
 

Constructor & Destructor Documentation

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData::BuriedUnsatPenaltyEdgeData ( )

Constructor.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData::BuriedUnsatPenaltyEdgeData ( BuriedUnsatPenaltyEdgeData const &  )
delete

Copy constructor – explicitly deleted.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData::~BuriedUnsatPenaltyEdgeData ( )
overridedefault

Destructor.

Member Function Documentation

void core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData::add_hbond ( bool const  lower_numbered_node_is_acceptor,
core::Size const  acceptor_group,
core::Size const  donor_group,
core::Real const  hbond_energy,
core::Size const  lower_numbered_node_symmetry_copy_index,
core::Size const  higher_numbered_node_symmetry_copy_index 
)

Add a hydrogen bond to a newly-created edge data object.

Initialize a newly-created edge data object.

Note that acceptor_group and donor_group are group indices in the respective nodes, not atom indices in the respective residues.

Note
The symmetry copy indices should both be 1 in the asymmetric case.

References hbonds_list_.

utility::vector1< BuriedUnsatPenaltyGraphHbond > const& core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData::hbonds_list ( ) const
inline

Access the hbonds list (const access).

References hbonds_list_.

Friends And Related Function Documentation

friend class ::BuriedUnsatPenaltyGraphSymmetricTests
friend
friend class ::BuriedUnsatPenaltyGraphTests
friend
friend class ::BuriedUnsatPenaltySymmetricTests
friend
friend class ::BuriedUnsatPenaltyTests
friend

Member Data Documentation

utility::vector1< BuriedUnsatPenaltyGraphHbond > core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData::hbonds_list_
private

A list of all of the hydrogen bonds between two residues.

Referenced by add_hbond(), and hbonds_list().


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