Each BuriedUnsatPenaltyEdge represents a hydrogen bonding interaction between two residues, and stores information about (a) the number of hydrogen bonds, and (b) the atoms involved. More...

#include <BuriedUnsatPenaltyGraph.hh>

Inheritance diagram for core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge:

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Public Member Functions
	BuriedUnsatPenaltyEdge ()=delete
	Constructor – explicitly deleted. More...

	BuriedUnsatPenaltyEdge (utility::graph::Graph *owner, platform::Size const first_node_ind, platform::Size const second_node_ind)
	Edge constructor. More...

	BuriedUnsatPenaltyEdge (utility::graph::Graph *owner, BuriedUnsatPenaltyEdge const &src)
	Edge copy-like constructor. More...

	BuriedUnsatPenaltyEdge (BuriedUnsatPenaltyEdge const &src)=delete
	Copy constructor – explicitly deleted. More...

	~BuriedUnsatPenaltyEdge () override
	Destructor. More...

void	copy_from (utility::graph::Edge const *src) override
	Initialize this edge from another. More...

core::Size	n_hbonds () const
	Get the number of hbonds in this edge. More...

BuriedUnsatPenaltyGraphHbond const &	hbond (core::Size const hbond_index) const
	Access a particular hbond in this edge. More...

void	set_edge_data (BuriedUnsatPenaltyEdgeDataCOP edge_data_in)
	Set the data object for this edge. More...

Private Attributes
BuriedUnsatPenaltyEdgeDataCOP	edge_data_
	A container for the hydrogen bond data, which can be shared with other edges. More...

Friends
class	::BuriedUnsatPenaltyGraphTests

class	::BuriedUnsatPenaltyGraphSymmetricTests

class	::BuriedUnsatPenaltyTests

class	::BuriedUnsatPenaltySymmetricTests

Detailed Description

Each BuriedUnsatPenaltyEdge represents a hydrogen bonding interaction between two residues, and stores information about (a) the number of hydrogen bonds, and (b) the atoms involved.

Constructor & Destructor Documentation

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

delete

Constructor – explicitly deleted.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::BuriedUnsatPenaltyEdge	(	utility::graph::Graph *	owner,
		platform::Size const	first_node_ind,
		platform::Size const	second_node_ind
	)

Edge constructor.

Note that edge_data_ starts out as nullptr; a BuriedUnsatPenaltyEdgeData object must be created and passed in before the edge can be used!

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::BuriedUnsatPenaltyEdge	(	utility::graph::Graph *	owner,
		BuriedUnsatPenaltyEdge const &	src
	)

Edge copy-like constructor.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::BuriedUnsatPenaltyEdge ( BuriedUnsatPenaltyEdge const & src )

delete

Copy constructor – explicitly deleted.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::~BuriedUnsatPenaltyEdge ( )

overridedefault

Destructor.

Member Function Documentation

void core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::copy_from ( utility::graph::Edge const * src )

override

Initialize this edge from another.

References edge_data_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::add_edge().

BuriedUnsatPenaltyGraphHbond const& core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::hbond ( core::Size const hbond_index ) const

inline

Access a particular hbond in this edge.

References edge_data_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::compute_unsats_for_node(), and core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::prune_donor_acceptor_groups_lacking_hbonds_to_packable().

core::Size core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::n_hbonds ( ) const

inline

Get the number of hbonds in this edge.

References edge_data_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::compute_unsats_for_node(), and core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::prune_donor_acceptor_groups_lacking_hbonds_to_packable().

void core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::set_edge_data ( BuriedUnsatPenaltyEdgeDataCOP edge_data_in )

Set the data object for this edge.

Data object pointer is copied; object is NOT cloned.

References edge_data_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::initialize_graph_for_packing().

Friends And Related Function Documentation

friend class ::BuriedUnsatPenaltyGraphSymmetricTests

friend

friend class ::BuriedUnsatPenaltyGraphTests

friend

friend class ::BuriedUnsatPenaltySymmetricTests

friend

friend class ::BuriedUnsatPenaltyTests

friend

Member Data Documentation

BuriedUnsatPenaltyEdgeDataCOP core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge::edge_data_

private

A container for the hydrogen bond data, which can be shared with other edges.

Referenced by copy_from(), hbond(), n_hbonds(), and set_edge_data().

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

Public Member Functions

Private Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation