composite metric returning shape complementarities that pass per block More...

#include <BlockwiseShapeCompMetric.hh>

Inheritance diagram for protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric:

[legend]

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

	BlockwiseShapeCompMetric (BlockwiseShapeCompMetric const &src)
	Copy constructor (not needed unless you need deep copies) More...

	~BlockwiseShapeCompMetric () override
	Destructor (important for properly forward-declaring smart-pointer members) More...

std::map< std::string, core::Real >	calculate (core::pose::Pose const &pose) const override
	Metric Methods ///. More...

void	set_selector (core::select::residue_selector::ResidueSelectorCOP selector)

void	set_filtered_sc (core::Real filtered_sc)

void	set_filtered_area (core::Real filtered_area)

void	set_filtered_d_median (core::Real filtered_d_median)

void	set_scale_by_length (bool in)

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

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

utility::vector1< std::string >	get_metric_names () const override
	Get the submetric names that this Metric will calculate. 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::CompositeRealMetric
	CompositeRealMetric ()

	~CompositeRealMetric () override

	CompositeRealMetric (CompositeRealMetric const &other)

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 SimpleMetricData cache in the pose. labeled as out_label. More...

std::map< std::string, 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...

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...

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	selector_

core::Real	filtered_sc_ = 0.5

core::Real	filtered_area_ = 0

core::Real	filtered_d_median_ = 0

bool	scale_by_length_ = false

Detailed Description

composite metric returning shape complementarities that pass per block

Constructor & Destructor Documentation

◆ BlockwiseShapeCompMetric() [1/2]

protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::BlockwiseShapeCompMetric ( )

Constructors ///.

Default constructor

◆ BlockwiseShapeCompMetric() [2/2]

protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::BlockwiseShapeCompMetric ( BlockwiseShapeCompMetric const & src )

default

Copy constructor (not needed unless you need deep copies)

Copy constructor.

◆ ~BlockwiseShapeCompMetric()

protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::~BlockwiseShapeCompMetric ( )

override

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

Member Function Documentation

◆ calculate()

std::map< std::string, core::Real > protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::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::CompositeRealMetric.

References filtered_area_, filtered_d_median_, filtered_sc_, protocols::pose_sewing::identify_ss_blocks(), core::conformation::membrane::out, scale_by_length_, selector_, core::pose::Pose::size(), core::id::to_string(), and protocols::TR().

◆ clone()

core::simple_metrics::SimpleMetricOP protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::clone ( ) const

overridevirtual

Implements core::simple_metrics::CompositeRealMetric.

◆ get_metric_names()

utility::vector1< std::string > protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::get_metric_names ( ) const

overridevirtual

Get the submetric names that this Metric will calculate.

Implements core::simple_metrics::CompositeRealMetric.

References core::conformation::membrane::out.

◆ metric()

std::string protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::metric ( ) const

overridevirtual

Name of the metric.

Implements core::simple_metrics::CompositeRealMetric.

◆ name()

std::string protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::name ( ) const

overridevirtual

Name of the class.

Implements core::simple_metrics::CompositeRealMetric.

References name_static().

◆ name_static()

std::string protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::name_static ( )

static

Name of the class for creator.

Referenced by protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetricCreator::keyname(), name(), and provide_xml_schema().

◆ parse_my_tag()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::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::CompositeRealMetric.

References filtered_area_, filtered_d_median_, filtered_sc_, core::select::residue_selector::get_residue_selector(), core::simple_metrics::SimpleMetric::parse_base_tag(), scale_by_length_, and selector_.

◆ provide_xml_schema()

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

static

References core::select::residue_selector::attributes_for_parse_residue_selector(), name_static(), and core::simple_metrics::xsd_simple_metric_type_definition_w_attributes().

Referenced by protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetricCreator::provide_xml_schema().

◆ set_filtered_area()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::set_filtered_area ( core::Real filtered_area )

References filtered_area_.

◆ set_filtered_d_median()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::set_filtered_d_median ( core::Real filtered_d_median )

References filtered_d_median_.

◆ set_filtered_sc()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::set_filtered_sc ( core::Real filtered_sc )

References filtered_sc_.

◆ set_scale_by_length()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::set_scale_by_length ( bool in )

References core::conformation::membrane::in, and scale_by_length_.

◆ set_selector()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::set_selector ( core::select::residue_selector::ResidueSelectorCOP selector )

References selector_.

Member Data Documentation

◆ filtered_area_

core::Real protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::filtered_area_ = 0

private

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

◆ filtered_d_median_

core::Real protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::filtered_d_median_ = 0

private

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

◆ filtered_sc_

core::Real protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::filtered_sc_ = 0.5

private

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

◆ scale_by_length_

bool protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::scale_by_length_ = false

private

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

◆ selector_

core::select::residue_selector::ResidueSelectorCOP protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::selector_

private

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

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

src/protocols/pose_sewing/simple_metrics/BlockwiseShapeCompMetric.hh
src/protocols/pose_sewing/simple_metrics/BlockwiseShapeCompMetric.cc

Public Member Functions

Static Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ BlockwiseShapeCompMetric() [1/2]

◆ BlockwiseShapeCompMetric() [2/2]

◆ ~BlockwiseShapeCompMetric()

Member Function Documentation

◆ calculate()

◆ clone()

◆ get_metric_names()

◆ metric()

◆ name()

◆ name_static()

◆ parse_my_tag()

◆ provide_xml_schema()

◆ set_filtered_area()

◆ set_filtered_d_median()

◆ set_filtered_sc()

◆ set_scale_by_length()

◆ set_selector()

Member Data Documentation

◆ filtered_area_

◆ filtered_d_median_

◆ filtered_sc_

◆ scale_by_length_

◆ selector_