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Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::sewing::scoring::LigandScorer Class Reference

#include <LigandScorer.hh>

Inheritance diagram for protocols::sewing::scoring::LigandScorer:
Inheritance graph
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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
std::string protocols::sewing::scoring::LigandScorer::get_name ( ) const
overridevirtual
core::Real protocols::sewing::scoring::LigandScorer::get_old_last_score ( ) const
overridevirtual
core::Real protocols::sewing::scoring::LigandScorer::get_weight ( ) const
overridevirtual
void protocols::sewing::scoring::LigandScorer::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
core::Real protocols::sewing::scoring::LigandScorer::score ( data_storage::SmartAssemblyCOP  assembly)
overridevirtual
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
void protocols::sewing::scoring::LigandScorer::set_old_last_score ( core::Real  old_last_score)
overridevirtual
void protocols::sewing::scoring::LigandScorer::set_options_from_tag ( utility::tag::TagCOP  scorer_tag,
basic::datacache::DataMap &  datamap 
)
overridevirtual
void protocols::sewing::scoring::LigandScorer::set_weight ( core::Real  weight)
overridevirtual
std::string protocols::sewing::scoring::LigandScorer::type_name ( )
static

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
core::Real protocols::sewing::scoring::LigandScorer::cutoff_distance_ =5.0
private
core::scoring::func::FuncOP protocols::sewing::scoring::LigandScorer::func_
private
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
core::Real protocols::sewing::scoring::LigandScorer::weight_ =1.0
private

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