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Public Member Functions | Static Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
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:
Inheritance graph
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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

◆ DistanceConstraintGenerator()

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

◆ ~DistanceConstraintGenerator()

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

Member Function Documentation

◆ apply()

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

◆ class_name()

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

◆ clone()

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

◆ create_constraint()

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

◆ parse_tag()

void protocols::constraint_generator::DistanceConstraintGenerator::parse_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap data 
)
overrideprotectedvirtual

◆ provide_citation_info()

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().

◆ provide_xml_schema()

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

◆ set_function()

void protocols::constraint_generator::DistanceConstraintGenerator::set_function ( std::string const &  func_def_str)

Member Data Documentation

◆ atom_name1_

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

Referenced by create_constraint(), and parse_tag().

◆ atom_name2_

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

Referenced by create_constraint(), and parse_tag().

◆ func_

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

◆ selector1_

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

Referenced by apply(), and parse_tag().

◆ selector2_

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: