protocols::sewing::scoring::LigandScorer Class Reference

#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

protocols::sewing::scoring::LigandScorer::LigandScorer

(

)

default construct

References cutoff_angle_, and func_.

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

overridedefault

protocols::sewing::scoring::LigandScorer::LigandScorer

(

LigandScorer const &

src

)

Member Function Documentation

core::Real protocols::sewing::scoring::LigandScorer::get_angle_multiplier

(

core::Real

theta_positive

)

References cutoff_angle_, and func_.

Referenced by score().

core::Real protocols::sewing::scoring::LigandScorer::get_cutoff_angle

(

)

const

References cutoff_angle_.

core::Real protocols::sewing::scoring::LigandScorer::get_cutoff_distance

(

)

const

References cutoff_distance_.

core::scoring::func::FuncCOP protocols::sewing::scoring::LigandScorer::get_func

(

)

const

References func_.

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

overridevirtual

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

References last_score_.

Referenced by score().

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

overridevirtual

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

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

overridevirtual

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

References old_last_score_.

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

overridevirtual

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

References weight_.

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().

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().

void protocols::sewing::scoring::LigandScorer::set_cutoff_angle

(

core::Real

setting

)

References cutoff_angle_.

void protocols::sewing::scoring::LigandScorer::set_cutoff_distance

(

core::Real

setting

)

References cutoff_distance_.

void protocols::sewing::scoring::LigandScorer::set_func

(

core::scoring::func::FuncOP

setting

)

References func_.

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

overridevirtual

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

References last_score_.

Referenced by 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().

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_.

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

overridevirtual

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

References weight_.

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

static

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

Member Data Documentation

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

private

Referenced by score().

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().

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().

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

private

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

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

private

Referenced by get_last_score(), and set_last_score().

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

private

Referenced by get_old_last_score(), and set_old_last_score().

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

private

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

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

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