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:

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().

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

• src/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraph.hh
• src/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraph.cc