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protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric Class Reference

composite metric returning motif scores that pass per block More...

#include <BlockwisePoseCompMotifMetric.hh>

Inheritance diagram for protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric:
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Public Member Functions

 BlockwisePoseCompMotifMetric ()
 Constructors ///. More...
 
 BlockwisePoseCompMotifMetric (BlockwisePoseCompMotifMetric const &src)
 Copy constructor (not needed unless you need deep copies) More...
 
 ~BlockwisePoseCompMotifMetric () 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_normalize_by_residues (bool in)
 
void set_drop_best (bool in)
 
void set_distance_mode (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_
 
bool normalize_by_residues_ = false
 
bool drop_best_ = true
 
bool distance_mode_ = false
 

Detailed Description

composite metric returning motif scores that pass per block

Constructor & Destructor Documentation

◆ BlockwisePoseCompMotifMetric() [1/2]

protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::BlockwisePoseCompMotifMetric ( )

Constructors ///.

Default constructor

◆ BlockwisePoseCompMotifMetric() [2/2]

protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::BlockwisePoseCompMotifMetric ( BlockwisePoseCompMotifMetric const &  src)
default

Copy constructor (not needed unless you need deep copies)

Copy constructor.

◆ ~BlockwisePoseCompMotifMetric()

protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::~BlockwisePoseCompMotifMetric ( )
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::BlockwisePoseCompMotifMetric::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 protocols::pose_sewing::calculate_bw_pose_compat_motifs(), distance_mode_, drop_best_, protocols::pose_sewing::identify_ss_blocks(), normalize_by_residues_, core::conformation::membrane::out, selector_, and protocols::TR().

◆ clone()

core::simple_metrics::SimpleMetricOP protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::clone ( ) const
overridevirtual

◆ get_metric_names()

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

Get the submetric names that this Metric will calculate.

Implements core::simple_metrics::CompositeRealMetric.

◆ metric()

std::string protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::metric ( ) const
overridevirtual

Name of the metric.

Implements core::simple_metrics::CompositeRealMetric.

◆ name()

std::string protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::name ( ) const
overridevirtual

Name of the class.

Implements core::simple_metrics::CompositeRealMetric.

References name_static().

◆ name_static()

std::string protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::name_static ( )
static

◆ parse_my_tag()

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

◆ provide_xml_schema()

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

◆ set_distance_mode()

void protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::set_distance_mode ( bool  in)

◆ set_drop_best()

void protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::set_drop_best ( bool  in)

◆ set_normalize_by_residues()

void protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::set_normalize_by_residues ( bool  in)

◆ set_selector()

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

References selector_.

Member Data Documentation

◆ distance_mode_

bool protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::distance_mode_ = false
private

◆ drop_best_

bool protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::drop_best_ = true
private

◆ normalize_by_residues_

bool protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::normalize_by_residues_ = false
private

◆ selector_

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

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