protocols::constraint_generator::DistanceConstraintGenerator Class Reference

Generates AtomPair constraints to enforce a given distance between two residue subsets. More...

#include <DistanceConstraintGenerator.hh>

Inheritance diagram for protocols::constraint_generator::DistanceConstraintGenerator:

Public Member Functions
	DistanceConstraintGenerator ()
	~DistanceConstraintGenerator () 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	provide_citation_info (basic::citation_manager::CitationCollectionList &citations) const override
	Provide citations to the passed CitationCollectionList. This allows the constraint generator to provide citations for itself and for any modules that it invokes. More...
void	set_function (std::string const &func_def_str)
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 &data) override
	called by parse_my_tag – should not be used directly More...

Private Member Functions
core::scoring::constraints::ConstraintOP	create_constraint (core::pose::Pose const &pose, core::Size const resid1, core::Size const resid2) const

Private Attributes
core::scoring::func::FuncCOP	func_
core::select::residue_selector::ResidueSelectorCOP	selector1_
core::select::residue_selector::ResidueSelectorCOP	selector2_
std::string	atom_name1_
std::string	atom_name2_

Detailed Description

Generates AtomPair constraints to enforce a given distance between two residue subsets.

Constructor & Destructor Documentation

protocols::constraint_generator::DistanceConstraintGenerator::DistanceConstraintGenerator

(

)

protocols::constraint_generator::DistanceConstraintGenerator::~DistanceConstraintGenerator ( )

overridedefault

Member Function Documentation

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

overridevirtual

generates constraints and adds them to the pose

Implements protocols::constraint_generator::ConstraintGenerator.

References class_name(), create_constraint(), func_, protocols::hybridization::r2, selector1_, selector2_, and protocols::constraint_generator::TR().

std::string protocols::constraint_generator::DistanceConstraintGenerator::class_name ( )

static

Referenced by apply(), protocols::constraint_generator::DistanceConstraintGeneratorCreator::keyname(), provide_citation_info(), and provide_xml_schema().

protocols::constraint_generator::ConstraintGeneratorOP protocols::constraint_generator::DistanceConstraintGenerator::clone ( ) const

overridevirtual

Implements protocols::constraint_generator::ConstraintGenerator.

core::scoring::constraints::ConstraintOP protocols::constraint_generator::DistanceConstraintGenerator::create_constraint ( core::pose::Pose const &  pose, core::Size const  resid1, core::Size const  resid2  ) const

private

References core::chemical::ResidueType::atom_index(), atom_name1_, atom_name2_, core::id::AtomID::atomno(), func_, core::conformation::Residue::nbr_atom(), core::pose::Pose::residue(), protocols::constraint_generator::TR(), and core::conformation::Residue::type().

Referenced by apply().

void protocols::constraint_generator::DistanceConstraintGenerator::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 atom_name1_, atom_name2_, core::select::residue_selector::get_residue_selector(), selector1_, selector2_, and set_function().

void protocols::constraint_generator::DistanceConstraintGenerator::provide_citation_info ( basic::citation_manager::CitationCollectionList &  citations ) const

overridevirtual

Provide citations to the passed CitationCollectionList. This allows the constraint generator to provide citations for itself and for any modules that it invokes.

Cites Tom Linsky, who created the constraint generator framework.

Author

Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org).

Reimplemented from protocols::constraint_generator::ConstraintGenerator.

References class_name().

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

static

References class_name(), and protocols::constraint_generator::ConstraintGeneratorFactory::xsd_constraint_generator_type_definition_w_attributes().

Referenced by protocols::constraint_generator::DistanceConstraintGeneratorCreator::provide_xml_schema().

void protocols::constraint_generator::DistanceConstraintGenerator::set_function

(

std::string const &

func_def_str

)

References func_, protocols::constraint_generator::parse_func(), and protocols::constraint_generator::TR().

Referenced by parse_tag().

Member Data Documentation

std::string protocols::constraint_generator::DistanceConstraintGenerator::atom_name1_

private

Referenced by create_constraint(), and parse_tag().

std::string protocols::constraint_generator::DistanceConstraintGenerator::atom_name2_

private

Referenced by create_constraint(), and parse_tag().

core::scoring::func::FuncCOP protocols::constraint_generator::DistanceConstraintGenerator::func_

private

Referenced by apply(), create_constraint(), and set_function().

core::select::residue_selector::ResidueSelectorCOP protocols::constraint_generator::DistanceConstraintGenerator::selector1_

private

Referenced by apply(), and parse_tag().

core::select::residue_selector::ResidueSelectorCOP protocols::constraint_generator::DistanceConstraintGenerator::selector2_

private

Referenced by apply(), and parse_tag().

---

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

• src/protocols/constraint_generator/DistanceConstraintGenerator.hh
• src/protocols/constraint_generator/DistanceConstraintGenerator.cc