#include <NetworkState.hh>

Public Member Functions
	NetworkState (core::scoring::hbonds::graph::HBondEdge const *monte_carlo_seed, core::scoring::hbonds::graph::HBondGraphOP const &hbond_graph)

	~NetworkState ()

bool	operator< (NetworkState const &rhs) const

void	add_polar_atoms (core::scoring::hbonds::graph::HBondNode const *node)
	NetworkState keeps track of polar atoms that need to be satisfied. This function allows NetworkState to copy the vector of polar atoms from the HBondNode. More...

bool	mres_has_unsats (unsigned int mres) const
	are there any buried unsats at this molten residue position that are not participating in network hbonds? More...

bool	mres_has_heavy_unsats (unsigned int mres) const
	are there any heavy (not hydrogen) buried unsats at this molten residue position that are not participating in network hbonds? More...

boost::container::flat_map < unsigned int, core::scoring::hbonds::graph::AtomInfoSet > const &	unsatisfied_sc_atoms_const () const

core::scoring::hbonds::graph::AtomInfoSet *	get_unsats_for_mres (unsigned int mres)
	get vector of AtomInfos for atoms that are unsatisfied More...

core::scoring::hbonds::graph::AtomInfoSet const *	get_unsats_for_mres (unsigned int mres) const
	get vector of AtomInfos for atoms that are unsatisfied More...

utility::vector1 < core::scoring::hbonds::graph::HBondNode const * > &	nodes ()

utility::vector1 < core::scoring::hbonds::graph::HBondNode const * > const &	nodes () const

void	add_node (core::scoring::hbonds::graph::HBondNode const *node)

utility::vector1 < core::scoring::hbonds::graph::HBondEdge const * > &	edges ()

utility::vector1 < core::scoring::hbonds::graph::HBondEdge const * > const &	edges () const

void	add_edge (core::scoring::hbonds::graph::HBondEdge const *edge)

core::scoring::hbonds::graph::HBondEdge const *	monte_carlo_seed () const

core::Real	full_twobody_energy () const

void	full_twobody_energy (core::Real setting)

void	append_twobody_energy (core::Real setting)

core::Real	score () const
	This holds whatever metric is used for sorting (getter) More...

void	score (core::Real setting)
	This holds whatever metric is used for sorting (setter) More...

Private Attributes
utility::vector1 < core::scoring::hbonds::graph::HBondNode const * >	nodes_

utility::vector1 < core::scoring::hbonds::graph::HBondEdge const * >	edges_

core::scoring::hbonds::graph::HBondEdge const *	monte_carlo_seed_

core::Real	full_twobody_energy_

core::Real	score_

boost::container::flat_map < unsigned int, core::scoring::hbonds::graph::AtomInfoSet >	unsatisfied_sc_atoms_

Constructor & Destructor Documentation

protocols::hbnet::NetworkState::NetworkState	(	core::scoring::hbonds::graph::HBondEdge const *	monte_carlo_seed,
		core::scoring::hbonds::graph::HBondGraphOP const &	hbond_graph
	)

References add_polar_atoms(), edges_, get_unsats_for_mres(), core::scoring::hbond, core::scoring::hbonds::graph::HBondEdge::hbonds(), monte_carlo_seed_, nodes_, and core::scoring::hbonds::graph::AtomInfoSet::remove().

protocols::hbnet::NetworkState::~NetworkState ( )

inline

Member Function Documentation

void protocols::hbnet::NetworkState::add_edge ( core::scoring::hbonds::graph::HBondEdge const * edge )

inline

References edges_.

void protocols::hbnet::NetworkState::add_node ( core::scoring::hbonds::graph::HBondNode const * node )

inline

References nodes_.

void protocols::hbnet::NetworkState::add_polar_atoms ( core::scoring::hbonds::graph::HBondNode const * node )

NetworkState keeps track of polar atoms that need to be satisfied. This function allows NetworkState to copy the vector of polar atoms from the HBondNode.

References get_unsats_for_mres(), core::scoring::hbonds::graph::HBondNode::moltenres(), core::scoring::hbonds::graph::HBondNode::polar_sc_atoms_not_satisfied_by_background(), and unsatisfied_sc_atoms_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), and NetworkState().

void protocols::hbnet::NetworkState::append_twobody_energy ( core::Real setting )

inline

References full_twobody_energy_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state().

utility::vector1< core::scoring::hbonds::graph::HBondEdge const * >& protocols::hbnet::NetworkState::edges ( )

inline

References edges_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), protocols::hbnet::HBNet::append_to_network_vector(), and protocols::hbnet::HBNet::estimate_saturation().

utility::vector1< core::scoring::hbonds::graph::HBondEdge const * > const& protocols::hbnet::NetworkState::edges ( ) const

inline

References edges_.

core::Real protocols::hbnet::NetworkState::full_twobody_energy ( ) const

inline

References full_twobody_energy_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), and protocols::hbnet::HBNet::score_network_state().

void protocols::hbnet::NetworkState::full_twobody_energy ( core::Real setting )

inline

References full_twobody_energy_.

core::scoring::hbonds::graph::AtomInfoSet * protocols::hbnet::NetworkState::get_unsats_for_mres ( unsigned int mres )

inline

get vector of AtomInfos for atoms that are unsatisfied

References unsatisfied_sc_atoms_.

Referenced by add_polar_atoms(), protocols::hbnet::HBNet::add_residue_to_network_state(), protocols::hbnet::edge_satisfies_heavy_unsat_for_node(), mres_has_heavy_unsats(), mres_has_unsats(), and NetworkState().

core::scoring::hbonds::graph::AtomInfoSet const * protocols::hbnet::NetworkState::get_unsats_for_mres ( unsigned int mres ) const

inline

get vector of AtomInfos for atoms that are unsatisfied

References unsatisfied_sc_atoms_.

core::scoring::hbonds::graph::HBondEdge const* protocols::hbnet::NetworkState::monte_carlo_seed ( ) const

inline

References monte_carlo_seed_.

bool protocols::hbnet::NetworkState::mres_has_heavy_unsats ( unsigned int mres ) const

inline

are there any heavy (not hydrogen) buried unsats at this molten residue position that are not participating in network hbonds?

References get_unsats_for_mres().

Referenced by protocols::hbnet::HBNet::get_next_node().

bool protocols::hbnet::NetworkState::mres_has_unsats ( unsigned int mres ) const

inline

are there any buried unsats at this molten residue position that are not participating in network hbonds?

References get_unsats_for_mres().

utility::vector1< core::scoring::hbonds::graph::HBondNode const * >& protocols::hbnet::NetworkState::nodes ( )

inline

References nodes_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), protocols::hbnet::HBNet::append_to_network_vector(), protocols::hbnet::HBNet::estimate_saturation(), protocols::hbnet::HBNet::get_next_node(), protocols::hbnet::HBNet::network_state_is_done_growing(), protocols::hbnet::HBNet::node_is_compatible(), protocols::hbnet::HBNet::register_new_network(), and protocols::hbnet::HBNet::score_network_state().

utility::vector1< core::scoring::hbonds::graph::HBondNode const * > const& protocols::hbnet::NetworkState::nodes ( ) const

inline

References nodes_.

bool protocols::hbnet::NetworkState::operator< ( NetworkState const & rhs ) const

inline

References full_twobody_energy_.

core::Real protocols::hbnet::NetworkState::score ( ) const

inline

This holds whatever metric is used for sorting (getter)

References score_.

Referenced by protocols::hbnet::HBNet::add_residue_to_network_state(), protocols::hbnet::HBNet::append_to_network_vector(), protocols::hbnet::NetworkStateScoreComparator::compare(), and protocols::hbnet::HBNet::score_network_state().

void protocols::hbnet::NetworkState::score ( core::Real setting )

inline

This holds whatever metric is used for sorting (setter)

References score_.

boost::container::flat_map< unsigned int, core::scoring::hbonds::graph::AtomInfoSet > const& protocols::hbnet::NetworkState::unsatisfied_sc_atoms_const ( ) const

inline

References unsatisfied_sc_atoms_.

Referenced by protocols::hbnet::HBNet::get_next_node(), and protocols::hbnet::HBNet::network_state_is_satisfied().