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core::pack::guidance_scoreterms::sap::SapScoreMetric Class Reference

A metric to report the SapScore of a pose. More...

#include <SapScoreMetric.hh>

Inheritance diagram for core::pack::guidance_scoreterms::sap::SapScoreMetric:
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Public Member Functions

 SapScoreMetric (core::select::residue_selector::ResidueSelectorCOP score_selector=utility::pointer::make_shared< core::select::residue_selector::TrueResidueSelector >(), core::select::residue_selector::ResidueSelectorCOP sap_calculate_selector=nullptr, core::select::residue_selector::ResidueSelectorCOP sasa_selector=nullptr)
 Constructors ///. More...
 
 SapScoreMetric (SapScoreMetric const &src)
 
 ~SapScoreMetric () override
 
SapScoreMetricoperator= (SapScoreMetric const &ot)
 
core::Real calculate (core::pose::Pose const &pose) const override
 Metric Methods ///. More...
 
void set_score_selector (core::select::residue_selector::ResidueSelectorCOP const &selector)
 
void set_sap_calculate_selector (core::select::residue_selector::ResidueSelectorCOP const &selector)
 
void set_sasa_selector (core::select::residue_selector::ResidueSelectorCOP const &selector)
 
std::string name () const override
 Name of the class. More...
 
std::string metric () const override
 Name of the metric. 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...
 
- 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...
 
virtual void provide_citation_info (basic::citation_manager::CitationCollectionList &) const
 Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. 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::select::residue_selector::ResidueSelectorCOP score_selector_
 
core::select::residue_selector::ResidueSelectorCOP sap_calculate_selector_
 
core::select::residue_selector::ResidueSelectorCOP sasa_selector_
 

Detailed Description

A metric to report the SapScore of a pose.

Constructor & Destructor Documentation

core::pack::guidance_scoreterms::sap::SapScoreMetric::SapScoreMetric ( core::select::residue_selector::ResidueSelectorCOP  score_selector = utility::pointer::make_shared<core::select::residue_selector::TrueResidueSelector>(),
core::select::residue_selector::ResidueSelectorCOP  sap_calculate_selector = nullptr,
core::select::residue_selector::ResidueSelectorCOP  sasa_selector = nullptr 
)
core::pack::guidance_scoreterms::sap::SapScoreMetric::SapScoreMetric ( SapScoreMetric const &  src)
core::pack::guidance_scoreterms::sap::SapScoreMetric::~SapScoreMetric ( )
override

Member Function Documentation

core::Real core::pack::guidance_scoreterms::sap::SapScoreMetric::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. Returns the total score from the scorefunction or the total score of each residue in the residue selector.

If a comparison pose is given, will calculate the delta between them (pose - comparison_pose).

Implements core::simple_metrics::RealMetric.

References core::pack::guidance_scoreterms::sap::calculate_sap(), sap_calculate_selector_, sasa_selector_, and score_selector_.

core::simple_metrics::SimpleMetricOP core::pack::guidance_scoreterms::sap::SapScoreMetric::clone ( ) const
overridevirtual
std::string core::pack::guidance_scoreterms::sap::SapScoreMetric::metric ( ) const
overridevirtual

Name of the metric.

Implements core::simple_metrics::RealMetric.

std::string core::pack::guidance_scoreterms::sap::SapScoreMetric::name ( ) const
overridevirtual

Name of the class.

Implements core::simple_metrics::RealMetric.

References name_static().

std::string core::pack::guidance_scoreterms::sap::SapScoreMetric::name_static ( )
static
SapScoreMetric & core::pack::guidance_scoreterms::sap::SapScoreMetric::operator= ( SapScoreMetric const &  ot)
void core::pack::guidance_scoreterms::sap::SapScoreMetric::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overridevirtual
void core::pack::guidance_scoreterms::sap::SapScoreMetric::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void core::pack::guidance_scoreterms::sap::SapScoreMetric::set_sap_calculate_selector ( core::select::residue_selector::ResidueSelectorCOP const &  selector)
void core::pack::guidance_scoreterms::sap::SapScoreMetric::set_sasa_selector ( core::select::residue_selector::ResidueSelectorCOP const &  selector)

References sasa_selector_.

Referenced by operator=(), parse_my_tag(), and SapScoreMetric().

void core::pack::guidance_scoreterms::sap::SapScoreMetric::set_score_selector ( core::select::residue_selector::ResidueSelectorCOP const &  selector)

References score_selector_.

Referenced by operator=(), parse_my_tag(), and SapScoreMetric().

Member Data Documentation

core::select::residue_selector::ResidueSelectorCOP core::pack::guidance_scoreterms::sap::SapScoreMetric::sap_calculate_selector_
private
core::select::residue_selector::ResidueSelectorCOP core::pack::guidance_scoreterms::sap::SapScoreMetric::sasa_selector_
private
core::select::residue_selector::ResidueSelectorCOP core::pack::guidance_scoreterms::sap::SapScoreMetric::score_selector_
private

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