A class that is derived to calculate a Real (float) value. More...

#include <RealMetric.hh>

Inheritance diagram for core::simple_metrics::RealMetric:

Public Member Functions
	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...

virtual core::Real	calculate (pose::Pose const &pose) const =0
	Calculate the metric. 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...

std::string	name () const override=0
	Name of the class. More...

std::string	metric () const override=0
	Name of the metric. More...

utility::vector1< std::string >	get_metric_names () const override
	Get the metric name(s) that this Metric will calculate. More...

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override=0
	called by parse_my_tag – should not be used directly More...

SimpleMetricOP	clone () const override=0

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...

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...

Additional Inherited Members
Static Public Member Functions inherited from core::simple_metrics::SimpleMetric
static utility::tag::XMLSchemaComplexTypeGeneratorOP	complex_type_generator_for_simple_metric (utility::tag::XMLSchemaDefinition &)

Detailed Description

A class that is derived to calculate a Real (float) value.

Apply(pose) method calculates this metric and adds it to the pose score for output. Calculate(pose) method returns a core::Real

Constructor & Destructor Documentation

core::simple_metrics::RealMetric::RealMetric ( )

core::simple_metrics::RealMetric::~RealMetric ( )

overridedefault

core::simple_metrics::RealMetric::RealMetric ( RealMetric const & other )

Member Function Documentation

void core::simple_metrics::RealMetric::apply	(	std::string const &	out_label,
		pose::Pose &	pose,
		bool	override_existing_data = `false`
	)		const

overridevirtual

Calculate the metric and add it to the pose as a score. labeled as out_label.

Score is added to the SimpleMetricData cache Data is output into the final score file, but can be accessed if needed through the cache.

Implements core::simple_metrics::SimpleMetric.

References calculate(), core::simple_metrics::get_sm_data(), name(), and core::simple_metrics::throw_sm_override_error().

core::Real core::simple_metrics::RealMetric::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.

If use_cache is true, we will attempt to pull the data from the pose. If fail_on_missing_cache is true, we will fail, otherwise, we will calculate the metric.

This function is meant to support caching metrics, so values do not need to be calculated twice, for example in SimpleMetricFilter/Features or code-wise where data takes a while to calculate and can be reused.

References calculate(), core::simple_metrics::SimpleMetric::get_final_sm_type(), core::simple_metrics::get_sm_data(), core::simple_metrics::has_sm_data(), and name().

Referenced by protocols::simple_filters::SimpleMetricFilter::apply(), protocols::features::SimpleMetricFeatures::report_general_features(), and protocols::simple_filters::SimpleMetricFilter::report_sm().

virtual core::Real core::simple_metrics::RealMetric::calculate ( pose::Pose const & pose ) const

pure virtual

Calculate the metric.

Calculate and return the value. This function can not store the value. Use the apply function to store the value in the pose.