Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Static Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
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
[legend]

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 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_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_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 Sharon Guffy.

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::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: