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Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric Class Reference

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#include <MinimumInterAlphaDistanceMetric.hh>

Inheritance diagram for protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric:
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Public Member Functions

 MinimumInterAlphaDistanceMetric ()
 Constructors ///. More...
 
 ~MinimumInterAlphaDistanceMetric () override
 Destructor (important for properly forward-declaring smart-pointer members) More...
 
core::Real calculate (core::pose::Pose const &pose) const override
 Metric Methods ///. More...
 
void set_selectors (core::select::residue_selector::ResidueSelectorCOP A_selector, core::select::residue_selector::ResidueSelectorCOP B_selector, core::select::residue_selector::ResidueSelectorCOP all_atom_selector)
 
std::string name () const override
 Name of the class. More...
 
std::string metric () const override
 Name of the metric. More...
 
void provide_citation_info (basic::citation_manager::CitationCollectionList &citations) const override
 Provide authorship information for an unpublished Rosetta module. More...
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override
 called by parse_my_tag – should not be used directly More...
 
core::simple_metrics::SimpleMetricOP clone () const override
 
- Public Member Functions inherited from core::simple_metrics::RealMetric
 RealMetric ()
 
 ~RealMetric () override
 
 RealMetric (RealMetric const &other)
 
RealMetricoperator= (RealMetric const &)
 
void apply (std::string const &out_label, pose::Pose &pose, bool override_existing_data=false) const override
 Calculate the metric and add it to the pose as a score. labeled as out_label. More...
 
core::Real cached_calculate (pose::Pose const &pose, bool use_cache, std::string prefix="", std::string suffix="", bool fail_on_missing_cache=true) const
 Grab the data from the pose if it exists or calculate the metric. More...
 
utility::vector1< std::string > get_metric_names () const override
 Get the metric name(s) that this Metric will calculate. More...
 
virtual void apply (std::string const &out_label, pose::Pose &pose, bool override_existing_data=false) const=0
 Calculate the metric and add it to the Score, which is output into a scorefile - labeled as label Must be implemented by derived classes. More...
 
void apply (pose::Pose &pose, std::string const &prefix="", std::string const &suffix="", bool override_existing_data=false) const
 Calculate the metric and add it to the Score, which is output into a scorefile - labeled as prefix+metric+suffix. More...
 
- Public Member Functions inherited from core::simple_metrics::SimpleMetric
 SimpleMetric (std::string const &simple_metric_type)
 
 ~SimpleMetric () override
 
 SimpleMetric (SimpleMetric const &other)
 
SimpleMetricoperator= (SimpleMetric const &)
 
void apply (pose::Pose &pose, std::string const &prefix="", std::string const &suffix="", bool override_existing_data=false) const
 Calculate the metric and add it to the Score, which is output into a scorefile - labeled as prefix+metric+suffix. More...
 
void set_custom_type (std::string const &custom_type)
 
std::string get_custom_type () const
 Additional setting to prefix/suffix. More...
 
virtual void parse_base_tag (utility::tag::TagCOP tag)
 Parse the base class tag. Keep required interface for parse_my_tag. More...
 
std::string simple_metric_type () const
 
std::string get_final_sm_type () const
 Get the final name of this metric including its simple_metric_type_ name and any set custom type. More...
 

Static Public Member Functions

static std::string name_static ()
 Name of the class for creator. More...
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 
- Static Public Member Functions inherited from core::simple_metrics::SimpleMetric
static utility::tag::XMLSchemaComplexTypeGeneratorOP complex_type_generator_for_simple_metric (utility::tag::XMLSchemaDefinition &)
 

Private Attributes

core::Real sequence_gap_ = 6
 
core::select::residue_selector::ResidueSelectorCOP A_selector_
 
core::select::residue_selector::ResidueSelectorCOP B_selector_
 
core::select::residue_selector::ResidueSelectorCOP all_atom_selector_
 

Detailed Description

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Constructor & Destructor Documentation

◆ MinimumInterAlphaDistanceMetric()

protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::MinimumInterAlphaDistanceMetric ( )

Constructors ///.

Default constructor

◆ ~MinimumInterAlphaDistanceMetric()

protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::~MinimumInterAlphaDistanceMetric ( )
override

Destructor (important for properly forward-declaring smart-pointer members)

Member Function Documentation

◆ calculate()

core::Real protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::calculate ( core::pose::Pose const &  pose) const
overridevirtual

Metric Methods ///.

Defined in RealMetric:

Calculate the metric and add it to the pose as a score. labeled as prefix+metric+suffix.

Score is added through setExtraScorePose and is output into the score tables/file at pose output.

Calculate the metric.

Implements core::simple_metrics::RealMetric.

References A_selector_, all_atom_selector_, B_selector_, core::pose::Pose::residue(), sequence_gap_, core::pose::Pose::size(), core::pose::Pose::total_residue(), protocols::TR(), and core::conformation::Residue::xyz().

◆ clone()

core::simple_metrics::SimpleMetricOP protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::clone ( ) const
overridevirtual

◆ metric()

std::string protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::metric ( ) const
overridevirtual

Name of the metric.

Implements core::simple_metrics::RealMetric.

◆ name()

std::string protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::name ( ) const
overridevirtual

Name of the class.

Implements core::simple_metrics::RealMetric.

References name_static().

◆ name_static()

std::string protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::name_static ( )
static

◆ parse_my_tag()

void protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap data 
)
overridevirtual

◆ provide_citation_info()

void protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::provide_citation_info ( basic::citation_manager::CitationCollectionList &  citations) const
overridevirtual

Provide authorship information for an unpublished Rosetta module.

Reimplemented from core::simple_metrics::SimpleMetric.

◆ provide_xml_schema()

void protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static

◆ set_selectors()

void protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::set_selectors ( core::select::residue_selector::ResidueSelectorCOP  A_selector,
core::select::residue_selector::ResidueSelectorCOP  B_selector,
core::select::residue_selector::ResidueSelectorCOP  all_atom_selector 
)

Member Data Documentation

◆ A_selector_

core::select::residue_selector::ResidueSelectorCOP protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::A_selector_
private

◆ all_atom_selector_

core::select::residue_selector::ResidueSelectorCOP protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::all_atom_selector_
private

◆ B_selector_

core::select::residue_selector::ResidueSelectorCOP protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::B_selector_
private

◆ sequence_gap_

core::Real protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::sequence_gap_ = 6
private

Referenced by calculate(), and parse_my_tag().


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