protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator Class Reference

Generates atom pair constraints for a set of residues from the current or reference pose. More...

#include <AutomaticSheetConstraintGenerator.hh>

Inheritance diagram for protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator:

Public Member Functions
	AutomaticSheetConstraintGenerator ()
	~AutomaticSheetConstraintGenerator () override
protocols::constraint_generator::ConstraintGeneratorOP	clone () const override
core::scoring::constraints::ConstraintCOPs	apply (core::pose::Pose const &pose) const override
	generates constraints and adds them to the pose More...
void	sd (core::Real const sd)
core::Real	sd ()
void	distance (core::Real const dist)
core::Real	distance ()
Public Member Functions inherited from protocols::constraint_generator::ConstraintGenerator
	ConstraintGenerator (std::string const &class_name)
	~ConstraintGenerator () override
void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data)
	parses XML tag – calls protected parse_tag() function More...
std::string const &	id () const
void	set_id (std::string const &id)
std::string const &	class_name () const

Static Public Member Functions
static std::string	class_name ()
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

Protected Member Functions
void	parse_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
	called by parse_my_tag – should not be used directly More...

Private Member Functions
core::scoring::func::FuncOP	create_bb_angle_func (core::Real const ideal_angle) const
core::scoring::func::FuncOP	create_bb_dihedral_func (core::Real const ideal_dihedral) const
core::scoring::func::FuncOP	weighted_func (core::scoring::func::FuncOP func) const

Static Private Member Functions
static std::string	add_sub_ct_name (std::string tag_name)
static core::Real	default_sd ()
static core::Real	default_distance ()

Private Attributes
core::Real	sd_
core::Real	distance_
core::Real	angle_tolerance_
core::Real	bb_dihedral_tolerance_
core::Real	weight_

Detailed Description

Generates atom pair constraints for a set of residues from the current or reference pose.

Constructor & Destructor Documentation

protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::AutomaticSheetConstraintGenerator

(

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protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::~AutomaticSheetConstraintGenerator ( )

overridedefault

Member Function Documentation

static std::string protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::add_sub_ct_name ( std::string  tag_name )

inlinestaticprivate

core::scoring::constraints::ConstraintCOPs protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::apply ( core::pose::Pose const &  pose ) const

overridevirtual

generates constraints and adds them to the pose

Implements protocols::constraint_generator::ConstraintGenerator.

References core::select::residue_selector::SecondaryStructureSelector::apply(), create_bb_angle_func(), distance_, core::select::residue_selector::ResidueRanges::from_subset(), protocols::mean_field::min(), core::select::residue_selector::represent_residue_selector(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::select::residue_selector::SecondaryStructureSelector::set_minE(), protocols::loops::start, protocols::fold_from_loops::TR(), protocols::kinmatch::xyz(), and core::conformation::Residue::xyz().

static std::string protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::class_name ( )

inlinestatic

Referenced by protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGeneratorCreator::keyname(), and provide_xml_schema().

protocols::constraint_generator::ConstraintGeneratorOP protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::clone ( ) const

overridevirtual

Implements protocols::constraint_generator::ConstraintGenerator.

core::scoring::func::FuncOP protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::create_bb_angle_func ( core::Real const  ideal_angle ) const

private

References angle_tolerance_, and weighted_func().

Referenced by apply().

core::scoring::func::FuncOP protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::create_bb_dihedral_func ( core::Real const  ideal_dihedral ) const

private

References bb_dihedral_tolerance_, and weighted_func().

static core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::default_distance ( )

inlinestaticprivate

Referenced by parse_tag(), and provide_xml_schema().

static core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::default_sd ( )

inlinestaticprivate

Referenced by parse_tag(), and provide_xml_schema().

void protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::distance ( core::Real const  dist )

inline

References distance_.

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::distance ( )

inline

References distance_.

Referenced by parse_tag().

void protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::parse_tag ( utility::tag::TagCOP  tag, basic::datacache::DataMap &  data  )

overrideprotectedvirtual

called by parse_my_tag – should not be used directly

Implements protocols::constraint_generator::ConstraintGenerator.

References default_distance(), default_sd(), distance(), and sd().

void protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References class_name(), default_distance(), default_sd(), and core::id::to_string().

Referenced by protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGeneratorCreator::provide_xml_schema().

void protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::sd ( core::Real const  sd )

inline

References sd(), and sd_.

Referenced by sd().

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::sd ( )

inline

References sd_.

Referenced by parse_tag().

core::scoring::func::FuncOP protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::weighted_func ( core::scoring::func::FuncOP  func ) const

private

References protocols::constraint_generator::scalar_weighted(), and weight_.

Referenced by create_bb_angle_func(), and create_bb_dihedral_func().

Member Data Documentation

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::angle_tolerance_

private

Referenced by create_bb_angle_func().

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::bb_dihedral_tolerance_

private

Referenced by create_bb_dihedral_func().

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::distance_

private

Referenced by apply(), and distance().

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::sd_

private

Referenced by sd().

core::Real protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::weight_

private

Referenced by weighted_func().

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

• src/protocols/fold_from_loops/constraint_generator/AutomaticSheetConstraintGenerator.hh
• src/protocols/fold_from_loops/constraint_generator/AutomaticSheetConstraintGenerator.cc