#include <PrecomputedPairEnergiesInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::PrecomputedPairEnergiesEdge:

Public Member Functions
	~PrecomputedPairEnergiesEdge () override

	PrecomputedPairEnergiesEdge (InteractionGraphBase *owner, int first_node_ind, int second_node_ind)

core::PackerEnergy	get_two_body_energy (int const first_state, int const second_state) const override=0
	Get the two-body energy for two states of the nodes connected to this edge. More...

virtual void	add_to_two_body_energy (int const, int const, core::PackerEnergy const)=0

virtual void	add_to_two_body_energies (ObjexxFCL::FArray2< core::PackerEnergy > const &res_res_energy_array)=0

virtual void	set_two_body_energy (int const, int const, core::PackerEnergy const)=0

virtual void	clear_two_body_energy (int const, int const)=0

Public Member Functions inherited from core::pack::interaction_graph::FixedBBEdge
	~FixedBBEdge () override

	FixedBBEdge (InteractionGraphBase *owner, int first_node_ind, int second_node_ind)

virtual void	set_sparse_aa_info (ObjexxFCL::FArray2_bool const &sparse_conn_info)=0

virtual bool	get_sparse_aa_info (int node1aa, int node2aa) const =0

virtual void	force_aa_neighbors (int node1aa, int node2aa)=0

virtual void	force_all_aa_neighbors ()=0

Public Member Functions inherited from core::pack::interaction_graph::EdgeBase
virtual	~EdgeBase ()
	copy constructor, do not use More...

	EdgeBase (InteractionGraphBase *owner, int first_node_ind, int second_node_ind)
	main constructor for edge, no default nor copy constructors More...

int	get_other_ind (int callers_index) const
	returns the index of the other node that the edge is incident upon More...

NodeBase *	get_other_node (int callers_index) const
	returns a pointer to the other node that the edge is incident upon More...

int	get_first_node_ind () const
	returns the index of the smaller-indexed node More...

int	get_second_node_ind () const
	returns the index of the larger-indexed node More...

void	set_pos_in_owners_list (std::list< EdgeBase * >::iterator edge_iterator)
	edge keeps iterator to its position in it's owner's edge list More...

void	set_pos_in_node_edgevector (int callers_index, int position)
	edge keeps index it has in node_ind's edge vector More...

bool	same_edge (int node1, int node2) const
	returns true if this edge connects nodes of index node1 and node2 the order of node1 and node2 is not important More...

virtual void	declare_energies_final ()=0

virtual void	prepare_for_simulated_annealing ()=0

virtual unsigned int	count_static_memory () const =0

virtual unsigned int	count_dynamic_memory () const

Real	edge_weight () const

virtual void	set_edge_weight (Real weight)=0

bool	marked_for_deletion () const
	Has this edge indicated that it can be deleted? More...

InteractionGraphBase const *	get_owner () const

InteractionGraphBase *	get_owner ()

Additional Inherited Members
Protected Member Functions inherited from core::pack::interaction_graph::EdgeBase
void	mark_edge_for_deletion ()
	Mark this edge so that it can be deleted. More...

int	get_node_index (int index) const

int	get_num_states_for_node (int index) const

NodeBase const *	get_node (int index) const

NodeBase *	get_node (int index)

int	get_edges_position_in_nodes_edge_vector (int index) const

int	which_node (int node_index) const
	is a node the first or second node this edge is incident upon? More...

void	edge_weight (Real)
	protected setter of the edge weight. To be called by derived classes after they have completed the conversion from the previous edge weighting to the new edge weighting. More...

Constructor & Destructor Documentation

core::pack::interaction_graph::PrecomputedPairEnergiesEdge::~PrecomputedPairEnergiesEdge ( )

inlineoverride

core::pack::interaction_graph::PrecomputedPairEnergiesEdge::PrecomputedPairEnergiesEdge	(	InteractionGraphBase *	owner,
		int	first_node_ind,
		int	second_node_ind
	)

inline

Member Function Documentation

virtual void core::pack::interaction_graph::PrecomputedPairEnergiesEdge::add_to_two_body_energies ( ObjexxFCL::FArray2< core::PackerEnergy > const & res_res_energy_array )

pure virtual

Implemented in core::pack::interaction_graph::PDEdge, core::pack::interaction_graph::FASTEREdge, core::pack::interaction_graph::DensePDEdge, and core::pack::interaction_graph::DoubleDensePDEdge.

virtual void core::pack::interaction_graph::PrecomputedPairEnergiesEdge::add_to_two_body_energy	(	int	const,
		int	const,
		core::PackerEnergy	const
	)

pure virtual

Implemented in core::pack::interaction_graph::PDEdge, core::pack::interaction_graph::FASTEREdge, core::pack::interaction_graph::DensePDEdge, core::pack::interaction_graph::DoubleDensePDEdge, and core::pack::hbonds::BareMinimumPDEdge.

virtual void core::pack::interaction_graph::PrecomputedPairEnergiesEdge::clear_two_body_energy	(	int	const,
		int	const
	)

pure virtual

Implemented in core::pack::interaction_graph::PDEdge, core::pack::interaction_graph::FASTEREdge, core::pack::interaction_graph::DensePDEdge, core::pack::interaction_graph::DoubleDensePDEdge, and core::pack::hbonds::BareMinimumPDEdge.

core::PackerEnergy core::pack::interaction_graph::PrecomputedPairEnergiesEdge::get_two_body_energy	(	int const	first_state,
		int const	second_state
	)		const

overridepure virtual

Get the two-body energy for two states of the nodes connected to this edge.

Must be implmented by derived classes.

Author: Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org).

Implements core::pack::interaction_graph::FixedBBEdge.

Implemented in core::pack::interaction_graph::PDEdge, core::pack::interaction_graph::FASTEREdge, core::pack::interaction_graph::DensePDEdge, core::pack::interaction_graph::DoubleDensePDEdge, and core::pack::hbonds::BareMinimumPDEdge.

Referenced by core::pack::interaction_graph::get_annealable_graph_summary().

virtual void core::pack::interaction_graph::PrecomputedPairEnergiesEdge::set_two_body_energy	(	int	const,
		int	const,
		core::PackerEnergy	const
	)

pure virtual

Implemented in core::pack::interaction_graph::PDEdge, core::pack::interaction_graph::FASTEREdge, core::pack::interaction_graph::DensePDEdge, core::pack::interaction_graph::DoubleDensePDEdge, and core::pack::hbonds::BareMinimumPDEdge.

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

src/core/pack/interaction_graph/PrecomputedPairEnergiesInteractionGraph.hh

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation