protocols::flexpack::interaction_graph::MinimalistFlexbbEdge Class Reference

#include <MinimalistFlexbbInteractionGraph.hh>

Public Types
typedef OTFFlexbbEdge	parent
typedef core::Real	Real
Public Types inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge
typedef FlexbbEdge	parent
typedef core::conformation::Residue	Residue
typedef ObjexxFCL::FArray2D < PackerEnergy >	FArray2D_PackerEnergy
Public Types inherited from protocols::flexpack::interaction_graph::FlexbbEdge
typedef core::pack::interaction_graph::EdgeBase	parent
typedef core::PackerEnergy	PackerEnergy
typedef core::Real	Real
typedef core::Size	Size

Public Member Functions
	MinimalistFlexbbEdge (MinimalistFlexbbInteractionGraph *owner, int node1, int node2)
	EDGE. More...
	~MinimalistFlexbbEdge ()
virtual void	declare_energies_final ()
	Virtual functions from EdgeBase. More...
virtual void	prepare_for_simulated_annealing ()
virtual void	set_edge_weight (Real weight)
PackerEnergy	get_alt_stateE ()
void	acknowledge_substitution (int node_changing_state)
void	acknowledge_state_zeroed (int node_index)
virtual unsigned int	count_static_memory () const
virtual unsigned int	count_dynamic_memory () const
Public Member Functions inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge
	OTFFlexbbEdge (OTFFlexbbInteractionGraph *owner, int node1, int node2)
	EDGE. More...
virtual	~OTFFlexbbEdge ()
PackerEnergy	compute_samebbconf_alternate_state_energy_first_node ()
PackerEnergy	compute_samebbconf_alternate_state_energy_second_node ()
PackerEnergy	compute_altbbconf_alternate_state_energy ()
void	otfedge_note_substitution_accepted ()
void	set_ProCorrection_values (int node_not_necessarily_proline, int state, int other_bb, PackerEnergy bb_nonprobb_E, PackerEnergy bb_probb_E, PackerEnergy sc_nonprobb_E, PackerEnergy sc_probb_E)
void	set_GlyCorrection_values (int node_not_necessarily_glycine, int state, int other_bb, PackerEnergy bb_nonglybb_E, PackerEnergy bb_glybb_E, PackerEnergy sc_nonglybb_E, PackerEnergy sc_glybb_E)
void	note_long_range_interactions_exist ()
void	print_alt_energies () const
Public Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbEdge
	FlexbbEdge (FlexbbInteractionGraph *owner, int first_node_ind, int second_node_ind)
virtual	~FlexbbEdge ()
bool	get_nodes_from_same_flexseg () const
void	set_alt_state (int node_index, int new_state, FlexbbSparseMatrixIndex const &state_info)
	Called by FlexbbNode in prepare_for_bb_jump: Edges must know the alternate states that nodes are considering. Precondition: alt_state_ for a fixed node must match its cur_state_. More...
void	acknowledge_partial_state_assignment (int node_index, int new_state, FlexbbSparseMatrixIndex const &state_info)
void	note_state_substitution_accepted ()
	Copy alt data to current data after a state substitution. More...
void	reset_alternate_states_for_uncommited_substitution ()
	After a rejected state substitution, the FlexbbNode will call this function to reset the alt_state data to establish the invariant that the alternate state held on the flexbb edges reflect the the current state of those nodes not considering a state substitution. More...
PackerEnergy	cur_energy () const
PackerEnergy	alt_energy () const

Protected Member Functions
MinimalistFlexbbNode const *	get_minimalistflexbb_node (int index) const
	Downcasts. More...
MinimalistFlexbbNode *	get_minimalistflexbb_node (int index)
MinimalistFlexbbInteractionGraph const *	get_minimalistflexbbig_owner () const
MinimalistFlexbbInteractionGraph *	get_minimalistflexbbig_owner ()
Protected Member Functions inherited from protocols::flexpack::interaction_graph::OTFFlexbbEdge
OTFFlexbbNode const *	get_otfflexbb_node (int index) const
	Downcasts. More...
OTFFlexbbNode *	get_otfflexbb_node (int index)
OTFFlexbbInteractionGraph const *	get_otfflexbbig_owner () const
OTFFlexbbInteractionGraph *	get_otfflexbbig_owner ()
Residue const &	alt_rot (int which_node) const
void	zero_state_on_node (int which_node)
Protected Member Functions inherited from protocols::flexpack::interaction_graph::FlexbbEdge
FlexbbNode const *	get_flexbb_node (int index) const
FlexbbNode *	get_flexbb_node (int index)
FlexbbInteractionGraph const *	get_flexbbig_owner () const
FlexbbInteractionGraph *	get_flexbbig_owner ()
int	num_bb (int node)
bool	nodes_part_of_same_flexseg () const
bool	nodes_considering_bb_move () const
void	set_nodes_considering_bb_move (bool status)
int	nodes_cur_state (int node) const
FlexbbSparseMatrixIndex const &	nodes_cur_info (int node) const
int	nodes_alt_state (int node) const
FlexbbSparseMatrixIndex const &	nodes_alt_info (int node) const
bool	alt_e_up_to_date () const
void	set_nodes_cur_state (int node, int setting)
	Set the currently assigned state for a node; node == 0 || 1. More...
void	set_nodes_cur_info (int node, FlexbbSparseMatrixIndex const &setting)
void	set_nodes_alt_state (int node, int setting)
	Set the altnernate state being considered for a node; node == 0 || 1. More...
void	set_nodes_alt_info (int node, FlexbbSparseMatrixIndex const &setting)
void	set_cur_energy (PackerEnergy setting)
void	set_alt_energy (PackerEnergy setting)
void	copy_alternate_to_current ()
void	set_node_state_to_zero (int which_node)

Member Typedef Documentation

typedef OTFFlexbbEdge protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::parent

typedef core::Real protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::Real

Constructor & Destructor Documentation

protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::MinimalistFlexbbEdge	(	MinimalistFlexbbInteractionGraph *	owner,
		int	node1,
		int	node2
	)

EDGE.

Referenced by count_static_memory().

protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::~MinimalistFlexbbEdge

(

)

Member Function Documentation

void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_state_zeroed

(

int

node_index

)

References protocols::flexpack::interaction_graph::FlexbbEdge::set_node_state_to_zero().

Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbNode::assign_zero_state().

void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_substitution

(

int

node_changing_state

)

References protocols::flexpack::interaction_graph::MinimalistFlexbbNode::acknowledge_neighbors_substitution(), protocols::flexpack::interaction_graph::FlexbbEdge::cur_energy(), get_minimalistflexbb_node(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::otfedge_note_substitution_accepted().

Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbNode::commit_alt_bb_substitution(), protocols::flexpack::interaction_graph::MinimalistFlexbbNode::commit_considered_substitution(), and protocols::flexpack::interaction_graph::MinimalistFlexbbNode::complete_partial_state_assignment().

unsigned int protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::count_dynamic_memory ( ) const

virtual

Reimplemented from protocols::flexpack::interaction_graph::OTFFlexbbEdge.

References protocols::flexpack::interaction_graph::OTFFlexbbEdge::count_dynamic_memory().

Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_edge_memory_usage().

unsigned int protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::count_static_memory ( ) const

virtual

Implements core::pack::interaction_graph::EdgeBase.

References MinimalistFlexbbEdge().

void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::declare_energies_final ( )

virtual

Virtual functions from EdgeBase.

Implements core::pack::interaction_graph::EdgeBase.

MinimalistFlexbbEdge::PackerEnergy protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_alt_stateE

(

)

References protocols::flexpack::interaction_graph::FlexbbEdge::alt_e_up_to_date(), protocols::flexpack::interaction_graph::FlexbbEdge::alt_energy(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_altbbconf_alternate_state_energy().

MinimalistFlexbbNode const * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbb_node ( int  index ) const

inlineprotected

Downcasts.

Edge Downcasts.

Referenced by acknowledge_substitution().

MinimalistFlexbbNode * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbb_node ( int  index )

inlineprotected

MinimalistFlexbbInteractionGraph const * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbbig_owner ( ) const

inlineprotected

MinimalistFlexbbInteractionGraph * protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_minimalistflexbbig_owner ( )

inlineprotected

void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::prepare_for_simulated_annealing ( )

virtual

Reimplemented from protocols::flexpack::interaction_graph::OTFFlexbbEdge.

References protocols::flexpack::interaction_graph::OTFFlexbbEdge::prepare_for_simulated_annealing().

void protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::set_edge_weight ( Real  weight )

virtual

Implements core::pack::interaction_graph::EdgeBase.

References protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_state().

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

• symlinks/rosetta/src/protocols/flexpack/interaction_graph/MinimalistFlexbbInteractionGraph.hh
• symlinks/rosetta/src/protocols/flexpack/interaction_graph/MinimalistFlexbbInteractionGraph.cc