A metric which can combine other metrics. More...

#include <CalculatorMetric.hh>

Inheritance diagram for core::simple_metrics::metrics::CalculatorMetric:

[legend]

Public Member Functions
	CalculatorMetric ()
	Constructors ///. More...

	CalculatorMetric (std::string const &equation)
	Initialize with equation. More...

void	add_simple_metric (std::string const &name, core::simple_metrics::SimpleMetricCOP metric)
	For the particular variable name in the equation, use the passed metric. The passed metric must be a RealMetric, else you'll get an error message. More...

void	add_reported_value (std::string const &name, std::string const &report_key)
	For the variable name in the equation, look up the report_key scoreterm stored in the Pose. More...

void	add_constant (std::string const &name, core::Real value)
	For the varible name in the equation, use the passed constant value. More...

bool	check_equation ()
	Do a quick check to make sure the equation parsing worked out. Returns true on success, false on failure. 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	provide_citation_info (basic::citation_manager::CitationCollectionList &) const override
	Provide the citation. 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)

RealMetric &	operator= (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)

SimpleMetric &	operator= (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
numeric::CalculatorOP	calc_

std::map< std::string, core::Real >	values_

std::map< std::string, core::simple_metrics::RealMetricCOP >	metrics_

std::map< std::string, std::string >	reported_values_

Detailed Description

A metric which can combine other metrics.

Constructor & Destructor Documentation

◆ CalculatorMetric() [1/2]

core::simple_metrics::metrics::CalculatorMetric::CalculatorMetric ( )

Constructors ///.

Default constructor

◆ CalculatorMetric() [2/2]

core::simple_metrics::metrics::CalculatorMetric::CalculatorMetric ( std::string const & equation )

Initialize with equation.

Member Function Documentation

◆ add_constant()

void core::simple_metrics::metrics::CalculatorMetric::add_constant	(	std::string const &	name,
		core::Real	value
	)

For the varible name in the equation, use the passed constant value.

References name(), and values_.

Referenced by parse_my_tag().

◆ add_reported_value()

void core::simple_metrics::metrics::CalculatorMetric::add_reported_value	(	std::string const &	name,
		std::string const &	report_key
	)

For the variable name in the equation, look up the report_key scoreterm stored in the Pose.

References name(), and reported_values_.

Referenced by parse_my_tag().

◆ add_simple_metric()

void core::simple_metrics::metrics::CalculatorMetric::add_simple_metric	(	std::string const &	name,
		core::simple_metrics::SimpleMetricCOP	metric
	)

For the particular variable name in the equation, use the passed metric. The passed metric must be a RealMetric, else you'll get an error message.

References metric(), metrics_, and name().

Referenced by parse_my_tag().

◆ calculate()

core::Real core::simple_metrics::metrics::CalculatorMetric::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 calc_, core::pose::getPoseExtraScore(), metric(), metrics_, reported_values_, TR(), and values_.

◆ check_equation()

bool core::simple_metrics::metrics::CalculatorMetric::check_equation ( )

Do a quick check to make sure the equation parsing worked out. Returns true on success, false on failure.

References calc_, metric(), metrics_, reported_values_, and values_.

Referenced by parse_my_tag().

◆ clone()

core::simple_metrics::SimpleMetricOP core::simple_metrics::metrics::CalculatorMetric::clone ( ) const

overridevirtual

Implements core::simple_metrics::RealMetric.

◆ metric()

std::string core::simple_metrics::metrics::CalculatorMetric::metric ( ) const

overridevirtual

Name of the metric.

Implements core::simple_metrics::RealMetric.

Referenced by add_simple_metric(), calculate(), and check_equation().

◆ name()

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

overridevirtual

Name of the class.

Implements core::simple_metrics::RealMetric.

References name_static().

Referenced by add_constant(), add_reported_value(), add_simple_metric(), and provide_citation_info().

◆ name_static()

std::string core::simple_metrics::metrics::CalculatorMetric::name_static ( )

static

Name of the class for creator.

Referenced by core::simple_metrics::metrics::CalculatorMetricCreator::keyname(), name(), and provide_xml_schema().

◆ parse_my_tag()

void core::simple_metrics::metrics::CalculatorMetric::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	data
	)

overridevirtual

called by parse_my_tag – should not be used directly

Implements core::simple_metrics::RealMetric.

References add_constant(), add_reported_value(), add_simple_metric(), calc_, check_equation(), core::simple_metrics::get_metric_from_datamap_and_subtags(), and core::simple_metrics::SimpleMetric::parse_base_tag().

◆ provide_citation_info()

void core::simple_metrics::metrics::CalculatorMetric::provide_citation_info ( basic::citation_manager::CitationCollectionList & citations ) const

overridevirtual

Provide the citation.

Reimplemented from core::simple_metrics::SimpleMetric.

References metrics_, name(), and core::scoring::pair.

◆ provide_xml_schema()

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

static

References name_static(), and core::simple_metrics::xsd_simple_metric_type_definition_w_attributes_and_repeatable_subelements().

Referenced by core::simple_metrics::metrics::CalculatorMetricCreator::provide_xml_schema().

Member Data Documentation

◆ calc_

numeric::CalculatorOP core::simple_metrics::metrics::CalculatorMetric::calc_

private

Referenced by calculate(), check_equation(), and parse_my_tag().

◆ metrics_

std::map<std::string, core::simple_metrics::RealMetricCOP> core::simple_metrics::metrics::CalculatorMetric::metrics_

private

Referenced by add_simple_metric(), calculate(), check_equation(), and provide_citation_info().

◆ reported_values_

std::map<std::string, std::string> core::simple_metrics::metrics::CalculatorMetric::reported_values_

private

Referenced by add_reported_value(), calculate(), and check_equation().

◆ values_

std::map<std::string, core::Real> core::simple_metrics::metrics::CalculatorMetric::values_

private

Referenced by add_constant(), calculate(), and check_equation().

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

src/core/simple_metrics/metrics/CalculatorMetric.hh
src/core/simple_metrics/metrics/CalculatorMetric.cc

Public Member Functions

Static Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ CalculatorMetric() [1/2]

◆ CalculatorMetric() [2/2]

Member Function Documentation

◆ add_constant()

◆ add_reported_value()

◆ add_simple_metric()

◆ calculate()

◆ check_equation()

◆ clone()

◆ metric()

◆ name()

◆ name_static()

◆ parse_my_tag()

◆ provide_citation_info()

◆ provide_xml_schema()

Member Data Documentation

◆ calc_

◆ metrics_

◆ reported_values_

◆ values_