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core::simple_metrics::metrics::SelectedResidueCountMetric Class Reference

A SimpleMetric that counts the number of residues in a residue selection. More...

#include <SelectedResidueCountMetric.hh>

Inheritance diagram for core::simple_metrics::metrics::SelectedResidueCountMetric:
Inheritance graph

Public Member Functions

 SelectedResidueCountMetric ()
 Constructors ///. More...
 SelectedResidueCountMetric (SelectedResidueCountMetric const &src)
 Copy constructor (not needed unless you need deep copies) More...
 ~SelectedResidueCountMetric () override
 Destructor (important for properly forward-declaring smart-pointer members) More...
core::Real calculate (core::pose::Pose const &pose) const override
 Metric Methods ///. More...
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
void set_residue_selector (core::select::residue_selector::ResidueSelectorCOP selector_in)
 Set the residue selector. More...
void remove_residue_selector ()
 Remove the residue selector. More...
void provide_citation_info (basic::citation_manager::CitationCollectionList &) const override
 Provide the citation. More...
- 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...

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
complex_type_generator_for_simple_metric (utility::tag::XMLSchemaDefinition &)

Private Attributes

core::select::residue_selector::ResidueSelectorCOP residue_selector_
 A residue selector used for counting. More...

Detailed Description

A SimpleMetric that counts the number of residues in a residue selection.

Constructor & Destructor Documentation

core::simple_metrics::metrics::SelectedResidueCountMetric::SelectedResidueCountMetric ( )

Constructors ///.

Default constructor

core::simple_metrics::metrics::SelectedResidueCountMetric::SelectedResidueCountMetric ( SelectedResidueCountMetric const &  src)

Copy constructor (not needed unless you need deep copies)

Copy constructor.

core::simple_metrics::metrics::SelectedResidueCountMetric::~SelectedResidueCountMetric ( )

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

Member Function Documentation

core::Real core::simple_metrics::metrics::SelectedResidueCountMetric::calculate ( core::pose::Pose const &  pose) const

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 residue_selector_, and core::pose::Pose::total_residue().

core::simple_metrics::SimpleMetricOP core::simple_metrics::metrics::SelectedResidueCountMetric::clone ( ) const
std::string core::simple_metrics::metrics::SelectedResidueCountMetric::metric ( ) const

Name of the metric.

Implements core::simple_metrics::RealMetric.

std::string core::simple_metrics::metrics::SelectedResidueCountMetric::name ( ) const

Name of the class.

Implements core::simple_metrics::RealMetric.

References name_static().

Referenced by provide_citation_info().

std::string core::simple_metrics::metrics::SelectedResidueCountMetric::name_static ( )
void core::simple_metrics::metrics::SelectedResidueCountMetric::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
void core::simple_metrics::metrics::SelectedResidueCountMetric::provide_citation_info ( basic::citation_manager::CitationCollectionList &  citations) const

Provide the citation.

Reimplemented from core::simple_metrics::SimpleMetric.

References name(), and residue_selector_.

void core::simple_metrics::metrics::SelectedResidueCountMetric::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
void core::simple_metrics::metrics::SelectedResidueCountMetric::remove_residue_selector ( )

Remove the residue selector.

In the absence of a residue selector, this metric returns the number of residues in a pose.

References residue_selector_.

void core::simple_metrics::metrics::SelectedResidueCountMetric::set_residue_selector ( core::select::residue_selector::ResidueSelectorCOP  selector_in)

Set the residue selector.

Copies the input pointer; doesn't clone the object.

References residue_selector_.

Referenced by parse_my_tag().

Member Data Documentation

core::select::residue_selector::ResidueSelectorCOP core::simple_metrics::metrics::SelectedResidueCountMetric::residue_selector_

A residue selector used for counting.

If left nullptr, the whole pose is counted.

Referenced by calculate(), provide_citation_info(), remove_residue_selector(), and set_residue_selector().

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