#include <LigandScorer.hh>

Inheritance diagram for protocols::sewing::scoring::LigandScorer:

Public Member Functions
	LigandScorer ()
	default construct More...

	~LigandScorer () override=default

	LigandScorer (LigandScorer const &)

core::Real	score (data_storage::SmartAssemblyCOP assembly) override

std::string	get_name () const override

core::Real	get_weight () const override

void	set_weight (core::Real) override

core::Real	get_angle_multiplier (core::Real theta_positive)

core::Real	get_last_score () const override

void	set_last_score (core::Real) override

core::Real	get_old_last_score () const override

void	set_old_last_score (core::Real) override

core::scoring::func::FuncCOP	get_func () const

core::Real	get_cutoff_distance () const

core::Real	get_cutoff_angle () const

void	set_func (core::scoring::func::FuncOP)

void	set_cutoff_distance (core::Real)

void	set_cutoff_angle (core::Real)

void	set_options_from_tag (utility::tag::TagCOP scorer_tag, basic::datacache::DataMap &datamap) override

Public Member Functions inherited from protocols::sewing::scoring::LigandAssemblyScorer
	~LigandAssemblyScorer () override=default
	Destructor. More...

Public Member Functions inherited from protocols::sewing::scoring::AssemblyScorer
virtual	~AssemblyScorer ()=default
	Destructor. More...

	AssemblyScorer ()=default
	Prevent direct instantiation: No other constructors allowed. More...

	AssemblyScorer (AssemblyScorer const &)=default

Static Public Member Functions
static std::string	type_name ()

static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &)

Private Attributes
core::Real	last_score_

core::Real	old_last_score_

core::Real	weight_ =1.0

core::scoring::func::FuncOP	func_

core::Real	cutoff_distance_ =5.0

core::Real	cutoff_angle_ =numeric::constants::r::pi_over_2/2.0

core::chemical::AtomTypeSetCAP	atom_types_

Additional Inherited Members
Protected Member Functions inherited from protocols::sewing::scoring::LigandAssemblyScorer
	LigandAssemblyScorer ()=default
	Prevent direct instantiation: No other constructors allowed. More...

	LigandAssemblyScorer (LigandAssemblyScorer const &)=default

Constructor & Destructor Documentation

◆ LigandScorer() [1/2]

protocols::sewing::scoring::LigandScorer::LigandScorer ( )

default construct

References cutoff_angle_, and func_.

◆ ~LigandScorer()

protocols::sewing::scoring::LigandScorer::~LigandScorer ( )

overridedefault

◆ LigandScorer() [2/2]

protocols::sewing::scoring::LigandScorer::LigandScorer ( LigandScorer const & src )

Member Function Documentation

◆ get_angle_multiplier()

core::Real protocols::sewing::scoring::LigandScorer::get_angle_multiplier ( core::Real theta_positive )

References cutoff_angle_, and func_.

Referenced by score().

◆ get_cutoff_angle()

core::Real protocols::sewing::scoring::LigandScorer::get_cutoff_angle ( ) const

References cutoff_angle_.

◆ get_cutoff_distance()

core::Real protocols::sewing::scoring::LigandScorer::get_cutoff_distance ( ) const

References cutoff_distance_.

◆ get_func()

core::scoring::func::FuncCOP protocols::sewing::scoring::LigandScorer::get_func ( ) const

References func_.

◆ get_last_score()

core::Real protocols::sewing::scoring::LigandScorer::get_last_score ( ) const

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References last_score_.

Referenced by score().

◆ get_name()

std::string protocols::sewing::scoring::LigandScorer::get_name ( ) const

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

◆ get_old_last_score()

core::Real protocols::sewing::scoring::LigandScorer::get_old_last_score ( ) const

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References old_last_score_.

◆ get_weight()

core::Real protocols::sewing::scoring::LigandScorer::get_weight ( ) const

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References weight_.

◆ provide_xml_schema()

void protocols::sewing::scoring::LigandScorer::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References protocols::sewing::scoring::AssemblyScorerFactory::assembly_scorer_ct_namer(), and type_name().

Referenced by protocols::sewing::scoring::LigandScorerCreator::provide_xml_schema().

◆ score()

core::Real protocols::sewing::scoring::LigandScorer::score ( data_storage::SmartAssemblyCOP assembly )

overridevirtual

Use the negative normalized motif score

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References atom_types_, cutoff_distance_, get_angle_multiplier(), get_last_score(), set_last_score(), set_old_last_score(), and protocols::sewing::scoring::TR().

◆ set_cutoff_angle()

void protocols::sewing::scoring::LigandScorer::set_cutoff_angle ( core::Real setting )

References cutoff_angle_.

◆ set_cutoff_distance()

void protocols::sewing::scoring::LigandScorer::set_cutoff_distance ( core::Real setting )

References cutoff_distance_.

◆ set_func()

void protocols::sewing::scoring::LigandScorer::set_func ( core::scoring::func::FuncOP setting )

References func_.

◆ set_last_score()

void protocols::sewing::scoring::LigandScorer::set_last_score ( core::Real last_score )

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References last_score_.

Referenced by score().

◆ set_old_last_score()

void protocols::sewing::scoring::LigandScorer::set_old_last_score ( core::Real old_last_score )

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References old_last_score_.

Referenced by score().

◆ set_options_from_tag()

void protocols::sewing::scoring::LigandScorer::set_options_from_tag	(	utility::tag::TagCOP	scorer_tag,
		basic::datacache::DataMap &	datamap
	)

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References cutoff_distance_, protocols::sewing::scoring::TR(), and weight_.

◆ set_weight()

void protocols::sewing::scoring::LigandScorer::set_weight ( core::Real weight )

overridevirtual

Implements protocols::sewing::scoring::LigandAssemblyScorer.

References weight_.

◆ type_name()

std::string protocols::sewing::scoring::LigandScorer::type_name ( )

static

Referenced by protocols::sewing::scoring::LigandScorerCreator::keyname(), and provide_xml_schema().

Member Data Documentation

◆ atom_types_

core::chemical::AtomTypeSetCAP protocols::sewing::scoring::LigandScorer::atom_types_

private

Referenced by score().

◆ cutoff_angle_

core::Real protocols::sewing::scoring::LigandScorer::cutoff_angle_ =numeric::constants::r::pi_over_2/2.0

private

Referenced by get_angle_multiplier(), get_cutoff_angle(), LigandScorer(), and set_cutoff_angle().

◆ cutoff_distance_

core::Real protocols::sewing::scoring::LigandScorer::cutoff_distance_ =5.0

private

Referenced by get_cutoff_distance(), score(), set_cutoff_distance(), and set_options_from_tag().

◆ func_

core::scoring::func::FuncOP protocols::sewing::scoring::LigandScorer::func_

private

Referenced by get_angle_multiplier(), get_func(), LigandScorer(), and set_func().

◆ last_score_

core::Real protocols::sewing::scoring::LigandScorer::last_score_

private

Referenced by get_last_score(), and set_last_score().

◆ old_last_score_

core::Real protocols::sewing::scoring::LigandScorer::old_last_score_

private

Referenced by get_old_last_score(), and set_old_last_score().

◆ weight_

core::Real protocols::sewing::scoring::LigandScorer::weight_ =1.0

private

Referenced by get_weight(), set_options_from_tag(), and set_weight().

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

src/protocols/sewing/scoring/LigandScorer.hh
src/protocols/sewing/scoring/LigandScorer.cc

Public Member Functions

Static Public Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ LigandScorer() [1/2]

◆ ~LigandScorer()

◆ LigandScorer() [2/2]

Member Function Documentation

◆ get_angle_multiplier()

◆ get_cutoff_angle()

◆ get_cutoff_distance()

◆ get_func()

◆ get_last_score()

◆ get_name()

◆ get_old_last_score()

◆ get_weight()

◆ provide_xml_schema()

◆ score()

◆ set_cutoff_angle()

◆ set_cutoff_distance()

◆ set_func()

◆ set_last_score()

◆ set_old_last_score()

◆ set_options_from_tag()

◆ set_weight()

◆ type_name()

Member Data Documentation

◆ atom_types_

◆ cutoff_angle_

◆ cutoff_distance_

◆ func_

◆ last_score_

◆ old_last_score_

◆ weight_