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protocols::constraint_generator::ResidueTypeConstraintGenerator Class Reference

Generates atom pair constraints for a set of residues in the current pose. More...

#include <ResidueTypeConstraintGenerator.hh>

Inheritance diagram for protocols::constraint_generator::ResidueTypeConstraintGenerator:
Inheritance graph
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Public Member Functions

 ResidueTypeConstraintGenerator ()
 Generates atom pair constraints for a set of residues from the current or reference pose. More...
 
 ~ResidueTypeConstraintGenerator () 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 set_residue_selector (core::select::residue_selector::ResidueSelectorCOP selector)
 
void set_favor_native_bonus (core::Real bonus)
 
void set_rsd_type_name3 (std::string name3)
 
void set_reference_pose (core::pose::PoseCOP)
 
core::select::residue_selector::ResidueSelectorCOP get_residue_selector () const
 
core::Real get_favor_native_bonus () const
 
std::string get_rsd_type_name3 () const
 
core::pose::PoseCOP get_reference_pose () const
 
- 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::ConstraintCOPs generate_residue_type_constraints (core::pose::Pose const &pose, core::select::residue_selector::ResidueSubset const &subset) const
 
core::scoring::constraints::ConstraintCOPs generate_residue_type_constraints (core::pose::Pose const &pose, core::pose::Pose const &ref_pose, core::select::residue_selector::ResidueSubset const &subset, core::id::SequenceMapping const &seqmap) const
 

Private Attributes

core::select::residue_selector::ResidueSelectorCOP selector_
 
core::Real favor_native_bonus_ = 1.0
 
std::string rsd_type_name3_ = ""
 
core::pose::PoseCOP ref_pose_
 

Detailed Description

Generates atom pair constraints for a set of residues in the current pose.

Constructor & Destructor Documentation

protocols::constraint_generator::ResidueTypeConstraintGenerator::ResidueTypeConstraintGenerator ( )

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

protocols::constraint_generator::ResidueTypeConstraintGenerator::~ResidueTypeConstraintGenerator ( )
overridedefault

Member Function Documentation

core::scoring::constraints::ConstraintCOPs protocols::constraint_generator::ResidueTypeConstraintGenerator::apply ( core::pose::Pose const &  pose) const
overridevirtual
static std::string protocols::constraint_generator::ResidueTypeConstraintGenerator::class_name ( )
inlinestatic
ConstraintGeneratorOP protocols::constraint_generator::ResidueTypeConstraintGenerator::clone ( ) const
overridevirtual
core::scoring::constraints::ConstraintCOPs protocols::constraint_generator::ResidueTypeConstraintGenerator::generate_residue_type_constraints ( core::pose::Pose const &  pose,
core::select::residue_selector::ResidueSubset const &  subset 
) const
private
core::scoring::constraints::ConstraintCOPs protocols::constraint_generator::ResidueTypeConstraintGenerator::generate_residue_type_constraints ( core::pose::Pose const &  pose,
core::pose::Pose const &  ref_pose,
core::select::residue_selector::ResidueSubset const &  subset,
core::id::SequenceMapping const &  seqmap 
) const
private
core::Real protocols::constraint_generator::ResidueTypeConstraintGenerator::get_favor_native_bonus ( ) const

References favor_native_bonus_.

core::pose::PoseCOP protocols::constraint_generator::ResidueTypeConstraintGenerator::get_reference_pose ( ) const

References ref_pose_.

core::select::residue_selector::ResidueSelectorCOP protocols::constraint_generator::ResidueTypeConstraintGenerator::get_residue_selector ( ) const

References selector_.

std::string protocols::constraint_generator::ResidueTypeConstraintGenerator::get_rsd_type_name3 ( ) const

References rsd_type_name3_.

void protocols::constraint_generator::ResidueTypeConstraintGenerator::parse_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overrideprotectedvirtual
void protocols::constraint_generator::ResidueTypeConstraintGenerator::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::constraint_generator::ResidueTypeConstraintGenerator::set_favor_native_bonus ( core::Real  bonus)

References favor_native_bonus_.

void protocols::constraint_generator::ResidueTypeConstraintGenerator::set_reference_pose ( core::pose::PoseCOP  ref)

References core::scoring::ref, and ref_pose_.

Referenced by parse_tag().

void protocols::constraint_generator::ResidueTypeConstraintGenerator::set_residue_selector ( core::select::residue_selector::ResidueSelectorCOP  selector)

References selector_.

void protocols::constraint_generator::ResidueTypeConstraintGenerator::set_rsd_type_name3 ( std::string  name3)

References rsd_type_name3_.

Member Data Documentation

core::Real protocols::constraint_generator::ResidueTypeConstraintGenerator::favor_native_bonus_ = 1.0
private
core::pose::PoseCOP protocols::constraint_generator::ResidueTypeConstraintGenerator::ref_pose_
private
std::string protocols::constraint_generator::ResidueTypeConstraintGenerator::rsd_type_name3_ = ""
private
core::select::residue_selector::ResidueSelectorCOP protocols::constraint_generator::ResidueTypeConstraintGenerator::selector_
private

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