core::scoring::hbonds::graph::HBondEdge Class Reference

Each HBondEdge represents a hydrogen bond. More...

#include <HBondGraph.hh>

Inheritance diagram for core::scoring::hbonds::graph::HBondEdge:

Public Member Functions
	HBondEdge (Size first_node_ind, Size second_node_ind)
	HBondEdge (Size first_node_ind, Size second_node_ind, Real energy)
	~HBondEdge ()
Size	count_static_memory () const
Size	count_dynamic_memory () const
void	register_hbond (bool first_node_is_donor, unsigned short int local_atom_id_A, unsigned short int local_atom_id_D, unsigned short int local_atom_id_H, float energy)
float	energy () const
	this is intended to be the raw energy from the interaction graph between the rotamers represented by this->get_first_node_ind() and this->get_second_node_ind() More...
void	set_energy (Real energy)
float	score () const
	redundant interface for energy getter and setter. I find myself forgetting if the method is called "score" or "energy" so this way both are right More...
void	set_score (Real energy)
std::vector< HBondInfo > &	hbonds ()
std::vector< HBondInfo > const &	hbonds () const
void	merge_data (HBondEdge const &other, utility::vector1< Size > const &other_node_to_my_node)
	Only merges new data added by this class. Flips first_node_is_donor if necessary @detail other_node_to_my_node is a map of node indices from the other graph to node indices in this graph. other_node_to_my_node.size() == other_graph.num_nodes() More...
HBondEdge &	operator= (HBondEdge const &src)

Private Attributes
float	energy_
std::vector< HBondInfo >	hbonds_

Detailed Description

Each HBondEdge represents a hydrogen bond.

Constructor & Destructor Documentation

HBondEdge() [1/2]

core::scoring::hbonds::graph::HBondEdge::HBondEdge	(	Size	first_node_ind,
		Size	second_node_ind
	)

Referenced by count_static_memory().

HBondEdge() [2/2]

core::scoring::hbonds::graph::HBondEdge::HBondEdge	(	Size	first_node_ind,
		Size	second_node_ind,
		Real	energy
	)

~HBondEdge()

core::scoring::hbonds::graph::HBondEdge::~HBondEdge ( )

default

Member Function Documentation

count_dynamic_memory()

Size core::scoring::hbonds::graph::HBondEdge::count_dynamic_memory

(

)

const

References hbonds_.

count_static_memory()

Size core::scoring::hbonds::graph::HBondEdge::count_static_memory

(

)

const

References HBondEdge().

energy()

float core::scoring::hbonds::graph::HBondEdge::energy ( ) const

inline

this is intended to be the raw energy from the interaction graph between the rotamers represented by this->get_first_node_ind() and this->get_second_node_ind()

References energy_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), merge_data(), register_hbond(), set_energy(), and set_score().

hbonds() [1/2]

std::vector< HBondInfo >& core::scoring::hbonds::graph::HBondEdge::hbonds ( )

inline

References hbonds_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::alter_rotamer_sets(), protocols::hbnet::edge_satisfies_heavy_unsat_for_node(), merge_data(), protocols::hbnet::NetworkState::NetworkState(), and core::pack::guidance_scoreterms::approximate_buried_unsat_penalty::three_body_approximate_buried_unsat_calculation().

hbonds() [2/2]

std::vector< HBondInfo > const& core::scoring::hbonds::graph::HBondEdge::hbonds ( ) const

inline

References hbonds_.

merge_data()

void core::scoring::hbonds::graph::HBondEdge::merge_data	(	HBondEdge const &	other,
		utility::vector1< Size > const &	other_node_to_my_node
	)

Only merges new data added by this class. Flips first_node_is_donor if necessary @detail other_node_to_my_node is a map of node indices from the other graph to node indices in this graph. other_node_to_my_node.size() == other_graph.num_nodes()

References energy(), core::scoring::hbonds::graph::HBondInfo::first_node_is_donor(), hbonds(), hbonds_, and set_energy().

Referenced by core::scoring::hbonds::graph::HBondGraph::merge().

operator=()

HBondEdge& core::scoring::hbonds::graph::HBondEdge::operator= ( HBondEdge const &  src )

inline

References energy_, and hbonds_.

register_hbond()

void core::scoring::hbonds::graph::HBondEdge::register_hbond ( bool  first_node_is_donor, unsigned short int  local_atom_id_A, unsigned short int  local_atom_id_D, unsigned short int  local_atom_id_H, float  energy  )

inline

References energy(), and hbonds_.

Referenced by core::pack::hbonds::determine_atom_level_edge_info().

score()

float core::scoring::hbonds::graph::HBondEdge::score ( ) const

inline

redundant interface for energy getter and setter. I find myself forgetting if the method is called "score" or "energy" so this way both are right

References energy_.

set_energy()

void core::scoring::hbonds::graph::HBondEdge::set_energy ( Real  energy )

inline

References energy(), and energy_.

Referenced by core::pack::hbonds::HBondGraphInitializerIG::finalize_hbond_graph(), core::pack::hbonds::HBondGraphInitializerIG::find_symmetric_hbonds(), merge_data(), and core::scoring::hbonds::graph::HBondGraph::register_hbond().

set_score()

void core::scoring::hbonds::graph::HBondEdge::set_score ( Real  energy )

inline

References energy(), and energy_.

Member Data Documentation

energy_

float core::scoring::hbonds::graph::HBondEdge::energy_

private

Referenced by energy(), operator=(), score(), set_energy(), and set_score().

hbonds_

std::vector< HBondInfo > core::scoring::hbonds::graph::HBondEdge::hbonds_

private

Referenced by count_dynamic_memory(), hbonds(), merge_data(), operator=(), and register_hbond().

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

• src/core/scoring/hbonds/graph/HBondGraph.hh
• src/core/scoring/hbonds/graph/HBondGraph.cc