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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:
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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 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...
 
HBondEdgeoperator= (HBondEdge const &src)
 

Private Attributes

float energy_
 
std::vector< HBondInfohbonds_
 

Detailed Description

Each HBondEdge represents a hydrogen bond.

Constructor & Destructor Documentation

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

Referenced by count_static_memory().

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

Member Function Documentation

Size core::scoring::hbonds::graph::HBondEdge::count_dynamic_memory ( ) const

References hbonds_.

Size core::scoring::hbonds::graph::HBondEdge::count_static_memory ( ) const

References HBondEdge().

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(), set_energy(), and set_score().

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

References hbonds_.

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 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().

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

References energy_, and hbonds_.

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
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_.

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

References energy(), and energy_.

Member Data Documentation

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

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