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protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator Class Reference

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

#include <SegmentedAtomPairConstraintGenerator.hh>

Inheritance diagram for protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator:
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Public Member Functions

 SegmentedAtomPairConstraintGenerator ()
 
 ~SegmentedAtomPairConstraintGenerator () 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::ResidueSelector const &selector)
 
void set_inner_sd (core::Real const sd)
 
void set_inner_ca_only (bool const ca_only)
 
void set_inner_use_harmonic_function (bool const use_harmonic)
 
void set_inner_unweighted_function (bool const unweighted)
 
void set_inner_min_seq_sep (core::Size const min_seq_sep)
 
void set_inner_weight (core::Real const weight)
 
void set_outer_sd (core::Real const sd)
 
void set_outer_ca_only (bool const ca_only)
 
void set_outer_use_harmonic_function (bool const use_harmonic)
 
void set_outer_unweighted_function (bool const unweighted)
 
void set_outer_max_distance (core::Real const max_dist)
 
void set_outer_weight (core::Real const weight)
 
void set_reference_pose (core::pose::PoseCOP ref_pose)
 
void set_do_inner (bool pick)
 
void set_do_outer (bool pick)
 
- Public Member Functions inherited from protocols::constraint_generator::ConstraintGenerator
 ConstraintGenerator (std::string const &class_name)
 
 ~ConstraintGenerator () override
 
virtual void provide_citation_info (basic::citation_manager::CitationCollectionList &citations) const
 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 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...
 

Static Private Member Functions

static std::string add_sub_ct_name (std::string tag_name)
 
static ConstraintConditions default_inner ()
 
static ConstraintConditions default_outer ()
 
static bool default_do_inner ()
 
static bool default_do_outer ()
 

Private Attributes

core::select::residue_selector::ResidueSelectorCOP selector_
 
core::pose::PoseOP reference_pose_
 
ConstraintConditions inner_
 
ConstraintConditions outer_
 
bool do_inner_
 
bool do_outer_
 

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::SegmentedAtomPairConstraintGenerator::SegmentedAtomPairConstraintGenerator ( )
protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::~SegmentedAtomPairConstraintGenerator ( )
overridedefault

Member Function Documentation

static std::string protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::add_sub_ct_name ( std::string  tag_name)
inlinestaticprivate

Referenced by provide_xml_schema().

core::scoring::constraints::ConstraintCOPs protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::apply ( core::pose::Pose const &  pose) const
overridevirtual
static std::string protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::class_name ( )
inlinestatic
protocols::constraint_generator::ConstraintGeneratorOP protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::clone ( ) const
overridevirtual
static bool protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::default_do_inner ( )
inlinestaticprivate
static bool protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::default_do_outer ( )
inlinestaticprivate
static ConstraintConditions protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::default_inner ( )
inlinestaticprivate

Referenced by parse_tag(), and provide_xml_schema().

static ConstraintConditions protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::default_outer ( )
inlinestaticprivate

Referenced by parse_tag(), and provide_xml_schema().

void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::parse_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overrideprotectedvirtual
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_do_inner ( bool  pick)

References do_inner_.

void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_do_outer ( bool  pick)

References do_outer_.

void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_inner_ca_only ( bool const  ca_only)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_inner_min_seq_sep ( core::Size const  min_seq_sep)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_inner_sd ( core::Real const  sd)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_inner_unweighted_function ( bool const  unweighted)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_inner_use_harmonic_function ( bool const  use_harmonic)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_inner_weight ( core::Real const  weight)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_outer_ca_only ( bool const  ca_only)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_outer_max_distance ( core::Real const  max_dist)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_outer_sd ( core::Real const  sd)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_outer_unweighted_function ( bool const  unweighted)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_outer_use_harmonic_function ( bool const  use_harmonic)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_outer_weight ( core::Real const  weight)
void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_reference_pose ( core::pose::PoseCOP  ref_pose)

References reference_pose_.

Referenced by parse_tag().

void protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::set_residue_selector ( core::select::residue_selector::ResidueSelector const &  selector)

Member Data Documentation

bool protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::do_inner_
private

Referenced by apply(), parse_tag(), and set_do_inner().

bool protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::do_outer_
private

Referenced by apply(), parse_tag(), and set_do_outer().

ConstraintConditions protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::inner_
private
ConstraintConditions protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::outer_
private
core::pose::PoseOP protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::reference_pose_
private
core::select::residue_selector::ResidueSelectorCOP protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::selector_
private

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