protocols::backbone_moves::local_backbone_mover::GapCloser Class Reference

GapCloser closes the gaps after moving the free peptide. More...

#include <GapCloser.hh>

Inheritance diagram for protocols::backbone_moves::local_backbone_mover::GapCloser:

Public Member Functions
	GapCloser ()
	GapCloser (GapCloser const &src)
	~GapCloser () override
GapCloserOP	clone () const
void	set_solution_picker (gap_solution_pickers::GapSolutionPickerOP solution_picker)
	Set the solution picker. More...
void	solve_gaps (FreePeptide &free_peptide)
	Find solutions for the two gaps. More...
bool	gap_solved ()
	Return true if the gap problem is solved. More...
void	apply_closure (core::pose::Pose &pose, FreePeptide &free_peptide)
	Apply closure to a pose Exception will be raised if the closure problems haven't been solved. More...

Private Member Functions
bool	solve_a_gap (FreePeptide &free_peptide, Size pivot, vector1< vector1< Real > > &pivot_torsions)
	Solve a gap closing problem. More...
void	pick_solutions (Size &index1, Size &index2, core::pose::Pose &pose, FreePeptide &free_peptide)
	Pick a pair of solutions. More...

Private Attributes
bool	gap_solved_ = false
vector1< vector1< Real > >	pivot_torsions1_
vector1< vector1< Real > >	pivot_torsions2_
gap_solution_pickers::GapSolutionPickerOP	solution_picker_ = nullptr

Friends
class	::LocalBackboneMoverTests

Detailed Description

GapCloser closes the gaps after moving the free peptide.

Constructor & Destructor Documentation

protocols::backbone_moves::local_backbone_mover::GapCloser::GapCloser

(

)

References set_solution_picker().

protocols::backbone_moves::local_backbone_mover::GapCloser::GapCloser

(

GapCloser const &

src

)

protocols::backbone_moves::local_backbone_mover::GapCloser::~GapCloser ( )

overridedefault

Member Function Documentation

void protocols::backbone_moves::local_backbone_mover::GapCloser::apply_closure	(	core::pose::Pose &	pose,
		FreePeptide &	free_peptide
	)

Apply closure to a pose Exception will be raised if the closure problems haven't been solved.

References protocols::backbone_moves::local_backbone_mover::FreePeptide::apply_to_pose(), core::pose::Pose::fold_tree(), gap_solved_, protocols::make_rot_lib::PEPTIDE, pick_solutions(), protocols::backbone_moves::local_backbone_mover::FreePeptide::pivot1(), protocols::backbone_moves::local_backbone_mover::FreePeptide::pivot2(), pivot_torsions1_, pivot_torsions2_, core::pose::Pose::set_phi(), core::pose::Pose::set_psi(), and core::pose::Pose::size().

GapCloserOP protocols::backbone_moves::local_backbone_mover::GapCloser::clone

(

)

const

bool protocols::backbone_moves::local_backbone_mover::GapCloser::gap_solved ( )

inline

Return true if the gap problem is solved.

References gap_solved_.

void protocols::backbone_moves::local_backbone_mover::GapCloser::pick_solutions ( Size &  index1, Size &  index2, core::pose::Pose &  pose, FreePeptide &  free_peptide  )

private

Pick a pair of solutions.

References protocols::backbone_moves::local_backbone_mover::FreePeptide::pivot1(), protocols::backbone_moves::local_backbone_mover::FreePeptide::pivot2(), pivot_torsions1_, pivot_torsions2_, and solution_picker_.

Referenced by apply_closure().

void protocols::backbone_moves::local_backbone_mover::GapCloser::set_solution_picker ( gap_solution_pickers::GapSolutionPickerOP  solution_picker )

inline

Set the solution picker.

References solution_picker_.

Referenced by GapCloser().

bool protocols::backbone_moves::local_backbone_mover::GapCloser::solve_a_gap ( FreePeptide &  free_peptide, Size  pivot, vector1< vector1< Real > > &  pivot_torsions  )

private

Solve a gap closing problem.

References core::scoring::packstat::old::angles, protocols::backbone_moves::local_backbone_mover::FreePeptide::c_n_bond(), protocols::backbone_moves::local_backbone_mover::FreePeptide::c_n_ca_angle(), protocols::backbone_moves::local_backbone_mover::FreePeptide::c_xyz(), protocols::backbone_moves::local_backbone_mover::FreePeptide::ca_c_bond(), protocols::backbone_moves::local_backbone_mover::FreePeptide::ca_c_n_angle(), protocols::backbone_moves::local_backbone_mover::FreePeptide::ca_xyz(), protocols::backbone_moves::local_backbone_mover::FreePeptide::n_ca_bond(), protocols::backbone_moves::local_backbone_mover::FreePeptide::n_ca_c_angle(), protocols::backbone_moves::local_backbone_mover::FreePeptide::n_xyz(), protocols::backbone_moves::local_backbone_mover::FreePeptide::omega(), and protocols::backbone_moves::local_backbone_mover::xyz_to_vec1().

Referenced by solve_gaps().

void protocols::backbone_moves::local_backbone_mover::GapCloser::solve_gaps

(

FreePeptide &

free_peptide

)

Find solutions for the two gaps.

References gap_solved_, protocols::backbone_moves::local_backbone_mover::FreePeptide::pivot1(), protocols::backbone_moves::local_backbone_mover::FreePeptide::pivot2(), pivot_torsions1_, pivot_torsions2_, and solve_a_gap().

Friends And Related Function Documentation

friend class ::LocalBackboneMoverTests

friend

Member Data Documentation

bool protocols::backbone_moves::local_backbone_mover::GapCloser::gap_solved_ = false

private

Referenced by apply_closure(), gap_solved(), and solve_gaps().

vector1<vector1<Real> > protocols::backbone_moves::local_backbone_mover::GapCloser::pivot_torsions1_

private

Referenced by apply_closure(), pick_solutions(), and solve_gaps().

vector1<vector1<Real> > protocols::backbone_moves::local_backbone_mover::GapCloser::pivot_torsions2_

private

Referenced by apply_closure(), pick_solutions(), and solve_gaps().

gap_solution_pickers::GapSolutionPickerOP protocols::backbone_moves::local_backbone_mover::GapCloser::solution_picker_ = nullptr

private

Referenced by pick_solutions(), and set_solution_picker().

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

• src/protocols/backbone_moves/local_backbone_mover/GapCloser.hh
• src/protocols/backbone_moves/local_backbone_mover/GapCloser.cc