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protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric Class Reference

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

#include <BlockwiseShapeCompMetric.hh>

Inheritance diagram for protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric:
Inheritance graph
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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::Realcalculate (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::Realcached_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)
 
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 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

◆ 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

◆ parse_my_tag()

void protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap data 
)
overridevirtual

◆ provide_xml_schema()

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

◆ 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)

◆ 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

◆ filtered_d_median_

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

◆ filtered_sc_

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

◆ scale_by_length_

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

◆ selector_

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

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