core::pack::interaction_graph::FixedBBInteractionGraph Class Reference

#include <FixedBBInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::FixedBBInteractionGraph:

Collaboration diagram for core::pack::interaction_graph::FixedBBInteractionGraph:

List of all members.

Public Member Functions
virtual	~FixedBBInteractionGraph ()
	FixedBBInteractionGraph (int num_nodes)
virtual int	get_num_aatypes () const =0
virtual bool	aa_submatrix_energies_retrievable () const
virtual int	aatype_for_node_state (int node_ind, int node_state) const
virtual ObjexxFCL::FArray2D < core::PackerEnergy >	get_aa_submatrix_energies_for_edge (int node1, int node2, int node1aa, int node2aa) const
void	set_sparse_aa_info_for_edge (int node1, int node2, ObjexxFCL::FArray2_bool const &sparse_conn_info)
	interface to PDEdge::set_sparse_aa_info
bool	get_sparse_aa_info_for_edge (int node1, int node2, int node1aa, int node2aa)
	returns true if node1aa and node2aa are amino acid neighbors
void	force_aa_neighbors_for_edge (int node1, int node2, int node1aa, int node2aa)
	interface to FixedBBEdge::force_aa_neighbors
void	force_all_aa_neighbors_for_edge (int node1, int node2)
	interface to PDEdge::force_aa_neighbors
virtual core::PackerEnergy	get_two_body_energy_for_edge (int node1, int node2, int state_node1, int state_node2) const
	interface to FixedBBEdge::get_two_body_energy
Protected Member Functions
FixedBBNode const *	get_fixedbb_node (int node_index) const
	Downcasts.
FixedBBNode *	get_fixedbb_node (int node_index)
FixedBBEdge const *	get_fixedbb_edge (int node1, int node2) const
FixedBBEdge *	get_fixedbb_edge (int node1, int node2)

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Constructor & Destructor Documentation

virtual core::pack::interaction_graph::FixedBBInteractionGraph::~FixedBBInteractionGraph

(

)

[inline, virtual]

core::pack::interaction_graph::FixedBBInteractionGraph::FixedBBInteractionGraph

(

int

num_nodes

)

[inline]

---

Member Function Documentation

bool core::pack::interaction_graph::FixedBBInteractionGraph::aa_submatrix_energies_retrievable

(

)

const [virtual]

Base class provides no implementation for this functionality

Reimplemented in core::pack::interaction_graph::DensePDInteractionGraph, core::pack::interaction_graph::DoubleLazyInteractionGraph, core::pack::interaction_graph::LazyInteractionGraph, and core::pack::interaction_graph::PDInteractionGraph.

int core::pack::interaction_graph::FixedBBInteractionGraph::aatype_for_node_state	(	int	node_ind,
		int	node_state
	)		const [virtual]

Derived classes wishing to respond to the get_aa_submatrix_energies_for_edge must implement this function as well, which allows the mapping between states and their on-node amino-acid index (which may very well represent something other than the index of the enumeration element for the rotamer's "aa()").

Reimplemented in core::pack::interaction_graph::DensePDInteractionGraph, core::pack::interaction_graph::DoubleLazyInteractionGraph, core::pack::interaction_graph::LazyInteractionGraph, and core::pack::interaction_graph::PDInteractionGraph.

void core::pack::interaction_graph::FixedBBInteractionGraph::force_aa_neighbors_for_edge	(	int	node1,
		int	node2,
		int	aa_node1,
		int	aa_node2
	)

interface to FixedBBEdge::force_aa_neighbors

Parameters:

node1	- [in] - the index of the smaller-indexed node
node2	- [in] - the index of the larger-indexed node
aa_node1	- [in] - the amino acid type for the node with the smaller index
aa_node2	- [in] - the amino acid type for the node with the larger index

References core::pack::interaction_graph::FixedBBEdge::force_aa_neighbors().

void core::pack::interaction_graph::FixedBBInteractionGraph::force_all_aa_neighbors_for_edge	(	int	node1,
		int	node2
	)

interface to PDEdge::force_aa_neighbors

Parameters:

node1	- [in] - the index of the smaller-indexed node
node2	- [in] - the index of the larger-indexed node
aa_node1	- [in] - the amino acid type for the node with the smaller index
aa_node2	- [in] - the amino acid type for the node with the larger index

References core::pack::interaction_graph::FixedBBEdge::force_all_aa_neighbors(), and core::pack::interaction_graph::FixedBBEdge::set_sparse_aa_info().

ObjexxFCL::FArray2D< core::PackerEnergy > core::pack::interaction_graph::FixedBBInteractionGraph::get_aa_submatrix_energies_for_edge	(	int	node1,
		int	node2,
		int	node1aa,
		int	node2aa
	)		const [virtual]

Do not call this function unless it is implemented in the derived class, as should be indicated by the "aa_submatrix_energies_retrivable" method.

Reimplemented in core::pack::interaction_graph::DensePDInteractionGraph, core::pack::interaction_graph::DoubleLazyInteractionGraph, core::pack::interaction_graph::LazyInteractionGraph, and core::pack::interaction_graph::PDInteractionGraph.

FixedBBEdge const * core::pack::interaction_graph::FixedBBInteractionGraph::get_fixedbb_edge	(	int	node1,
		int	node2
	)		const [inline, protected]

References core::pack::interaction_graph::InteractionGraphBase::find_edge().

FixedBBEdge * core::pack::interaction_graph::FixedBBInteractionGraph::get_fixedbb_edge	(	int	node1,
		int	node2
	)		[inline, protected]

References core::pack::interaction_graph::InteractionGraphBase::find_edge().

FixedBBNode * core::pack::interaction_graph::FixedBBInteractionGraph::get_fixedbb_node

(

int

node_index

)

[inline, protected]

References core::pack::interaction_graph::InteractionGraphBase::get_node().

FixedBBNode const * core::pack::interaction_graph::FixedBBInteractionGraph::get_fixedbb_node

(

int

node_index

)

const [inline, protected]

Downcasts.

References core::pack::interaction_graph::InteractionGraphBase::get_node().

virtual int core::pack::interaction_graph::FixedBBInteractionGraph::get_num_aatypes

(

)

const [pure virtual]

Implemented in core::pack::interaction_graph::DensePDInteractionGraph, core::pack::interaction_graph::DoubleDensePDInteractionGraph, core::pack::interaction_graph::FASTERInteractionGraph, core::pack::interaction_graph::OnTheFlyInteractionGraph, and core::pack::interaction_graph::PDInteractionGraph.

bool core::pack::interaction_graph::FixedBBInteractionGraph::get_sparse_aa_info_for_edge	(	int	node1,
		int	node2,
		int	node1aa,
		int	node2aa
	)

returns true if node1aa and node2aa are amino acid neighbors

Parameters:

node1	- [in] - the index of the smaller-indexed node
node2	- [in] - the index of the larger-indexed node
aa_node1	- [in] - the amino acid type for the node with the smaller index
aa_node2	- [in] - the amino acid type for the node with the larger index

References core::pack::interaction_graph::FixedBBEdge::get_sparse_aa_info().

core::PackerEnergy core::pack::interaction_graph::FixedBBInteractionGraph::get_two_body_energy_for_edge	(	int	node1,
		int	node2,
		int	state_node1,
		int	state_node2
	)		const [virtual]

interface to FixedBBEdge::get_two_body_energy

• returns the state pair energy

Parameters:

node1	- [in] - the index of the smaller-indexed node
node2	- [in] - the index of the larger-indexed node
state_node1	- [in] - state on smaller-indexed node
state_node2	- [in] - state on larger-indexed node

References core::pack::interaction_graph::FixedBBEdge::get_two_body_energy().

void core::pack::interaction_graph::FixedBBInteractionGraph::set_sparse_aa_info_for_edge	(	int	node1,
		int	node2,
		ObjexxFCL::FArray2_bool const &	sparse_conn_info
	)

interface to PDEdge::set_sparse_aa_info

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

• src/core/pack/interaction_graph/FixedBBInteractionGraph.hh
• src/core/pack/interaction_graph/FixedBBInteractionGraph.cc