#include <FlexbbInteractionGraph.hh>

Public Types
typedef core::pack::interaction_graph::EdgeBase	parent

typedef core::PackerEnergy	PackerEnergy

typedef core::Real	Real

typedef core::Size	Size

Public Member Functions
	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...

virtual unsigned int	count_dynamic_memory () const

PackerEnergy	cur_energy () const

PackerEnergy	alt_energy () const

Public Member Functions inherited from core::pack::interaction_graph::EdgeBase
virtual void	declare_energies_final ()=0

virtual void	prepare_for_simulated_annealing ()=0

virtual unsigned int	count_static_memory () const =0

virtual void	set_edge_weight (Real weight)=0

Protected Member Functions
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)

Private Member Functions
	FlexbbEdge ()

	FlexbbEdge (FlexbbEdge const &)

Private Attributes
bool const	nodes_part_of_same_flexseg_

int	nodes_num_bb_ [2]

int	nodes_cur_state_ [2]

FlexbbSparseMatrixIndex	nodes_cur_info_ [2]

int	nodes_alt_state_ [2]

FlexbbSparseMatrixIndex	nodes_alt_info_ [2]

PackerEnergy	cur_energy_

PackerEnergy	alt_energy_

bool	alt_e_up_to_date_

bool	nodes_considering_bb_move_

Member Typedef Documentation

typedef core::PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::PackerEnergy

typedef core::pack::interaction_graph::EdgeBase protocols::flexpack::interaction_graph::FlexbbEdge::parent

typedef core::Real protocols::flexpack::interaction_graph::FlexbbEdge::Real

typedef core::Size protocols::flexpack::interaction_graph::FlexbbEdge::Size

Constructor & Destructor Documentation

protocols::flexpack::interaction_graph::FlexbbEdge::FlexbbEdge	(	FlexbbInteractionGraph *	owner,
		int	first_node_ind,
		int	second_node_ind
	)

References get_flexbb_node(), protocols::flexpack::interaction_graph::FlexbbNode::get_num_distinct_backbones(), nodes_alt_state_, nodes_cur_state_, and nodes_num_bb_.

protocols::flexpack::interaction_graph::FlexbbEdge::~FlexbbEdge ( )

virtual

protocols::flexpack::interaction_graph::FlexbbEdge::FlexbbEdge ( )

private

protocols::flexpack::interaction_graph::FlexbbEdge::FlexbbEdge ( FlexbbEdge const & )

private

Member Function Documentation

void protocols::flexpack::interaction_graph::FlexbbEdge::acknowledge_partial_state_assignment	(	int	node_index,
		int	new_state,
		FlexbbSparseMatrixIndex const &	state_info
	)

References alt_e_up_to_date_, alt_energy_, cur_energy_, nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, and nodes_cur_state_.

Referenced by protocols::flexpack::interaction_graph::FlexbbNode::inform_incident_edges_about_partial_state_assignment().

bool protocols::flexpack::interaction_graph::FlexbbEdge::alt_e_up_to_date ( ) const

inlineprotected

References alt_e_up_to_date_.

Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_alt_stateE().

PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::alt_energy ( ) const

inline

References alt_e_up_to_date_, and alt_energy_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_altbbconf_alternate_state_energy(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node(), protocols::flexpack::interaction_graph::OTFFlexbbInteractionGraph::debug_note_projected_deltaE_of_considered_substitution(), and protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::get_alt_stateE().

void protocols::flexpack::interaction_graph::FlexbbEdge::copy_alternate_to_current ( )

protected

References alt_e_up_to_date_, alt_energy_, cur_energy_, nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, and nodes_cur_state_.

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

virtual

Reimplemented from core::pack::interaction_graph::EdgeBase.

Reimplemented in protocols::flexpack::interaction_graph::MinimalistFlexbbEdge, and protocols::flexpack::interaction_graph::OTFFlexbbEdge.

References core::pack::interaction_graph::EdgeBase::count_dynamic_memory().

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::count_dynamic_memory().

PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::cur_energy ( ) const

inline

References cur_energy_.

Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_substitution(), protocols::flexpack::interaction_graph::MinimalistFlexbbInteractionGraph::get_energy_sum_for_vertex_group(), and protocols::flexpack::interaction_graph::FlexbbInteractionGraph::update_internal_energy_totals().

FlexbbNode const* protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbb_node ( int index ) const

inlineprotected

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_altbbconf_alternate_state_energy(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node(), and FlexbbEdge().

FlexbbNode* protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbb_node ( int index )

inlineprotected

FlexbbInteractionGraph const * protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbbig_owner ( ) const

inlineprotected

FlexbbInteractionGraph * protocols::flexpack::interaction_graph::FlexbbEdge::get_flexbbig_owner ( )

inlineprotected

bool protocols::flexpack::interaction_graph::FlexbbEdge::get_nodes_from_same_flexseg ( ) const

inline

References nodes_part_of_same_flexseg_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::prepare_for_simulated_annealing(), and protocols::flexpack::interaction_graph::FlexbbNode::update_internal_vectors().

FlexbbSparseMatrixIndex const& protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_info ( int node ) const

inlineprotected

References nodes_alt_info_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_altbbconf_alternate_state_energy(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node().

int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_state ( int node ) const

inlineprotected

References nodes_alt_state_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::alt_rot(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_altbbconf_alternate_state_energy(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node().

bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_considering_bb_move ( ) const

inlineprotected

References nodes_considering_bb_move_.

FlexbbSparseMatrixIndex const& protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_info ( int node ) const

inlineprotected

References nodes_cur_info_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node().

int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_state ( int node ) const

inlineprotected

References nodes_cur_state_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node(), and protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::set_edge_weight().

bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_part_of_same_flexseg ( ) const

inlineprotected

References nodes_part_of_same_flexseg_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compact_bbindex(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::OTFFlexbbEdge().

void protocols::flexpack::interaction_graph::FlexbbEdge::note_state_substitution_accepted ( )

Copy alt data to current data after a state substitution.

References alt_energy_, cur_energy_, nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, and nodes_cur_state_.

Referenced by protocols::flexpack::interaction_graph::FlexbbNode::have_edges_copy_alternate_to_current(), and protocols::flexpack::interaction_graph::FlexbbNode::have_edges_copy_alternate_to_current_following_flexbb_accept().

int protocols::flexpack::interaction_graph::FlexbbEdge::num_bb ( int node )

inlineprotected

References nodes_num_bb_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::OTFFlexbbEdge(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::prepare_for_simulated_annealing().

void protocols::flexpack::interaction_graph::FlexbbEdge::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.

References alt_e_up_to_date_, alt_energy_, cur_energy_, nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, and nodes_cur_state_.

Referenced by protocols::flexpack::interaction_graph::FlexbbNode::inform_edges_considered_fixedbb_substition_uncommitted(), and protocols::flexpack::interaction_graph::MinimalistFlexbbNode::resolve_uncommitted_substitution().

void protocols::flexpack::interaction_graph::FlexbbEdge::set_alt_energy ( PackerEnergy setting )

inlineprotected

References alt_e_up_to_date_, and alt_energy_.

Referenced by protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_altbbconf_alternate_state_energy(), protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_first_node(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::compute_samebbconf_alternate_state_energy_second_node().

void protocols::flexpack::interaction_graph::FlexbbEdge::set_alt_state	(	int	node_index,
		int	alternate_state,
		FlexbbSparseMatrixIndex const &	alt_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_.

during backbone-moving rotamer substitutions, the nodes on flexible segments must inform their edges of their new states.

References alt_e_up_to_date_, protocols::flexpack::interaction_graph::FlexbbSparseMatrixIndex::get_bb(), nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, nodes_cur_state_, and nodes_part_of_same_flexseg_.

Referenced by protocols::flexpack::interaction_graph::FlexbbNode::inform_edges_of_alt_state_before_bbjump(), and protocols::flexpack::interaction_graph::MinimalistFlexbbNode::project_deltaE_for_substitution().

void protocols::flexpack::interaction_graph::FlexbbEdge::set_cur_energy ( PackerEnergy setting )

inlineprotected

References cur_energy_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_node_state_to_zero ( int which_node )

protected

References alt_e_up_to_date_, alt_energy_, cur_energy_, nodes_alt_info_, nodes_alt_state_, nodes_considering_bb_move_, nodes_cur_info_, and nodes_cur_state_.

Referenced by protocols::flexpack::interaction_graph::MinimalistFlexbbEdge::acknowledge_state_zeroed(), and protocols::flexpack::interaction_graph::OTFFlexbbEdge::zero_state_on_node().

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_alt_info	(	int	node,
		FlexbbSparseMatrixIndex const &	setting
	)

inlineprotected

References nodes_alt_info_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_alt_state	(	int	node,
		int	setting
	)

inlineprotected

Set the altnernate state being considered for a node; node == 0 || 1.

References nodes_alt_state_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_considering_bb_move ( bool status )

inlineprotected

References nodes_considering_bb_move_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_cur_info	(	int	node,
		FlexbbSparseMatrixIndex const &	setting
	)

inlineprotected

References nodes_cur_info_.

void protocols::flexpack::interaction_graph::FlexbbEdge::set_nodes_cur_state	(	int	node,
		int	setting
	)

inlineprotected

Set the currently assigned state for a node; node == 0 || 1.

References nodes_cur_state_.

Member Data Documentation

bool protocols::flexpack::interaction_graph::FlexbbEdge::alt_e_up_to_date_

private

Referenced by acknowledge_partial_state_assignment(), alt_e_up_to_date(), alt_energy(), copy_alternate_to_current(), reset_alternate_states_for_uncommited_substitution(), set_alt_energy(), set_alt_state(), and set_node_state_to_zero().

PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::alt_energy_

private

Referenced by acknowledge_partial_state_assignment(), alt_energy(), copy_alternate_to_current(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_alt_energy(), and set_node_state_to_zero().

PackerEnergy protocols::flexpack::interaction_graph::FlexbbEdge::cur_energy_

private

Referenced by acknowledge_partial_state_assignment(), copy_alternate_to_current(), cur_energy(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_cur_energy(), and set_node_state_to_zero().

FlexbbSparseMatrixIndex protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_info_[2]

private

Referenced by acknowledge_partial_state_assignment(), copy_alternate_to_current(), nodes_alt_info(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_alt_state(), set_node_state_to_zero(), and set_nodes_alt_info().

int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_alt_state_[2]

private

Referenced by acknowledge_partial_state_assignment(), copy_alternate_to_current(), FlexbbEdge(), nodes_alt_state(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_alt_state(), set_node_state_to_zero(), and set_nodes_alt_state().

bool protocols::flexpack::interaction_graph::FlexbbEdge::nodes_considering_bb_move_

private

Referenced by acknowledge_partial_state_assignment(), copy_alternate_to_current(), nodes_considering_bb_move(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_alt_state(), set_node_state_to_zero(), and set_nodes_considering_bb_move().

FlexbbSparseMatrixIndex protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_info_[2]

private

Referenced by acknowledge_partial_state_assignment(), copy_alternate_to_current(), nodes_cur_info(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_alt_state(), set_node_state_to_zero(), and set_nodes_cur_info().

int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_cur_state_[2]

private

Referenced by acknowledge_partial_state_assignment(), copy_alternate_to_current(), FlexbbEdge(), nodes_cur_state(), note_state_substitution_accepted(), reset_alternate_states_for_uncommited_substitution(), set_alt_state(), set_node_state_to_zero(), and set_nodes_cur_state().

int protocols::flexpack::interaction_graph::FlexbbEdge::nodes_num_bb_[2]

private

Referenced by FlexbbEdge(), and num_bb().

bool const protocols::flexpack::interaction_graph::FlexbbEdge::nodes_part_of_same_flexseg_

private

Referenced by get_nodes_from_same_flexseg(), nodes_part_of_same_flexseg(), and set_alt_state().

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

src/protocols/flexpack/interaction_graph/FlexbbInteractionGraph.hh
src/protocols/flexpack/interaction_graph/FlexbbInteractionGraph.cc

Public Types

Public Member Functions

Protected Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation