core::pack::interaction_graph::SimpleEdge Class Reference

#include <SimpleInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::SimpleEdge:

Public Member Functions
	SimpleEdge (utility::graph::Graph *owner, Size res1, Size res2)
	~SimpleEdge () override
void	copy_from (utility::graph::Edge const *) override
platform::Size	count_static_memory () const override
platform::Size	count_dynamic_memory () const override
void	compute_energy (bool use_current_node1, bool use_current_node2)
Real	get_current_energy () const
Real	get_proposed_energy () const
void	update_current_energy ()
void	update_proposed_energy ()
virtual void	commit_change ()
bool	calc_long_range ()
void	calc_long_range (bool setting)
bool	calc_short_range ()
void	calc_short_range (bool setting)

Private Member Functions
SimpleInteractionGraph *	get_simple_ig_owner ()
SimpleInteractionGraph const *	get_simple_ig_owner () const
Real	get_bb_E (conformation::Residue const &r1, conformation::Residue const &r2)
Size	get_bb_index (conformation::Residue const &r) const
	These functions are to carefully gate access to the c-style, index-from-zero arrays. More...
bool	bb_bb_boundaries (Size ind1, Size ind2) const
bool	bb_bbE_calced (Size ind1, Size ind2) const
void	set_bb_bbE_calced (Size ind1, Size ind2)
void	set_bb_bbE (Size ind1, Size ind2, Real val)
Real	bb_bbE (Size ind1, Size ind2) const

Private Attributes
Real	current_energy_
Real	proposed_energy_
bool	bb_bbE_calced_ [3][3]
Real	bb_bbE_ [3][3]
bool	calc_short_range_
bool	calc_long_range_

Constructor & Destructor Documentation

SimpleEdge()

core::pack::interaction_graph::SimpleEdge::SimpleEdge	(	utility::graph::Graph *	owner,
		Size	res1,
		Size	res2
	)

References bb_bbE_, and bb_bbE_calced_.

~SimpleEdge()

core::pack::interaction_graph::SimpleEdge::~SimpleEdge ( )

overridedefault

Member Function Documentation

bb_bb_boundaries()

bool core::pack::interaction_graph::SimpleEdge::bb_bb_boundaries ( Size  ind1, Size  ind2  ) const

private

Referenced by bb_bbE(), bb_bbE_calced(), set_bb_bbE(), and set_bb_bbE_calced().

bb_bbE()

Real core::pack::interaction_graph::SimpleEdge::bb_bbE ( Size  ind1, Size  ind2  ) const

private

References bb_bb_boundaries(), and bb_bbE_.

Referenced by get_bb_E().

bb_bbE_calced()

bool core::pack::interaction_graph::SimpleEdge::bb_bbE_calced ( Size  ind1, Size  ind2  ) const

private

References bb_bb_boundaries(), and bb_bbE_calced_.

Referenced by get_bb_E().

calc_long_range() [1/2]

bool core::pack::interaction_graph::SimpleEdge::calc_long_range ( )

inline

References calc_long_range_.

Referenced by core::pack::interaction_graph::SimpleInteractionGraph::initialize().

calc_long_range() [2/2]

void core::pack::interaction_graph::SimpleEdge::calc_long_range ( bool  setting )

inline

References calc_long_range_.

calc_short_range() [1/2]

bool core::pack::interaction_graph::SimpleEdge::calc_short_range ( )

inline

References calc_short_range_.

Referenced by core::pack::interaction_graph::SimpleInteractionGraph::initialize().

calc_short_range() [2/2]

void core::pack::interaction_graph::SimpleEdge::calc_short_range ( bool  setting )

inline

References calc_short_range_.

commit_change()

void core::pack::interaction_graph::SimpleEdge::commit_change ( )

virtual

References current_energy_, and proposed_energy_.

compute_energy()

void core::pack::interaction_graph::SimpleEdge::compute_energy	(	bool	use_current_node1,
		bool	use_current_node2
	)

References calc_long_range_, calc_short_range_, current_energy_, protocols::buns::energy, core::scoring::eval_bbsc_sr2b_energies(), core::scoring::eval_scsc_sr2b_energies(), get_bb_E(), core::scoring::ScoreFunction::long_range_energies_begin(), core::scoring::ScoreFunction::long_range_energies_end(), and proposed_energy_.

Referenced by core::pack::interaction_graph::SimpleInteractionGraph::initialize(), update_current_energy(), and update_proposed_energy().

copy_from()

void core::pack::interaction_graph::SimpleEdge::copy_from ( utility::graph::Edge const *  )

inlineoverride

count_dynamic_memory()

platform::Size core::pack::interaction_graph::SimpleEdge::count_dynamic_memory ( ) const

inlineoverride

count_static_memory()

platform::Size core::pack::interaction_graph::SimpleEdge::count_static_memory ( ) const

inlineoverride

get_bb_E()

Real core::pack::interaction_graph::SimpleEdge::get_bb_E ( conformation::Residue const &  r1, conformation::Residue const &  r2  )

private

References bb_bbE(), bb_bbE_calced(), get_bb_index(), protocols::hybridization::r1, protocols::hybridization::r2, set_bb_bbE(), and set_bb_bbE_calced().

Referenced by compute_energy().

get_bb_index()

Size core::pack::interaction_graph::SimpleEdge::get_bb_index ( conformation::Residue const &  r ) const

private

These functions are to carefully gate access to the c-style, index-from-zero arrays.

References core::conformation::Residue::aa(), core::chemical::aa_gly, and core::chemical::aa_pro.

Referenced by get_bb_E().

get_current_energy()

Real core::pack::interaction_graph::SimpleEdge::get_current_energy

(

)

const

References current_energy_.

get_proposed_energy()

Real core::pack::interaction_graph::SimpleEdge::get_proposed_energy

(

)

const

References proposed_energy_.

get_simple_ig_owner() [1/2]

SimpleInteractionGraph * core::pack::interaction_graph::SimpleEdge::get_simple_ig_owner ( )

inlineprivate

get_simple_ig_owner() [2/2]

SimpleInteractionGraph const * core::pack::interaction_graph::SimpleEdge::get_simple_ig_owner ( ) const

inlineprivate

set_bb_bbE()

void core::pack::interaction_graph::SimpleEdge::set_bb_bbE ( Size  ind1, Size  ind2, Real  val  )

private

References bb_bb_boundaries(), bb_bbE_, and protocols::hybridization::val.

Referenced by get_bb_E().

set_bb_bbE_calced()

void core::pack::interaction_graph::SimpleEdge::set_bb_bbE_calced ( Size  ind1, Size  ind2  )

private

References bb_bb_boundaries(), and bb_bbE_calced_.

Referenced by get_bb_E().

update_current_energy()

void core::pack::interaction_graph::SimpleEdge::update_current_energy

(

)

References compute_energy().

update_proposed_energy()

void core::pack::interaction_graph::SimpleEdge::update_proposed_energy

(

)

References compute_energy().

Member Data Documentation

bb_bbE_

Real core::pack::interaction_graph::SimpleEdge::bb_bbE_[3][3]

private

Referenced by bb_bbE(), set_bb_bbE(), and SimpleEdge().

bb_bbE_calced_

bool core::pack::interaction_graph::SimpleEdge::bb_bbE_calced_[3][3]

private

Referenced by bb_bbE_calced(), set_bb_bbE_calced(), and SimpleEdge().

calc_long_range_

bool core::pack::interaction_graph::SimpleEdge::calc_long_range_

private

Referenced by calc_long_range(), and compute_energy().

calc_short_range_

bool core::pack::interaction_graph::SimpleEdge::calc_short_range_

private

Referenced by calc_short_range(), and compute_energy().

current_energy_

Real core::pack::interaction_graph::SimpleEdge::current_energy_

private

Referenced by commit_change(), compute_energy(), and get_current_energy().

proposed_energy_

Real core::pack::interaction_graph::SimpleEdge::proposed_energy_

private

Referenced by commit_change(), compute_energy(), and get_proposed_energy().

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

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