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Public Member Functions | Private Attributes | List of all members
core::scoring::constraints::BoundFunc Class Reference

#include <BoundConstraint.hh>

Inheritance diagram for core::scoring::constraints::BoundFunc:
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Public Member Functions

 BoundFunc (Real const lb, Real const ub, Real sd, std::string const &type)
 
 BoundFunc (Real const lb, Real const ub, Real sd, Real rswitch, std::string const &type)
 
func::FuncOP clone () const override
 This method must return a deep copy of this Func, meaning if this Func holds pointers to other Func objects, that it must clone those Func objects as well. More...
 
bool operator== (Func const &rhs) const override
 
bool same_type_as_me (Func const &other) const override
 
void read_data (std::istream &) override
 initialize this Func from the given std::istream. More...
 
Real func (Real const x) const override
 Returns a value representing this function evaluated at a given point. More...
 
Real dfunc (Real const x) const override
 Returns a value representing the derivative of this function evaluated at a given point. More...
 
void show_definition (std::ostream &out) const override
 shows the definition of this function, usually the string type of function and the parameters passed in to the constructor. More...
 
Size show_violations (std::ostream &out, Real x, Size verbose_level, Real threshold=1) const override
 show some sort of stringified representation of the violations for this constraint. More...
 
Real lb () const
 
Real ub () const
 
Real sd () const
 
Real rswitch () const
 
std::string type () const
 
- Public Member Functions inherited from core::scoring::func::Func
 ~Func () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
virtual bool operator== (Func const &other) const =0
 Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...
 
bool operator!= (Func const &other) const
 inequality operator – simply the negation of the (virtual) equality operator More...
 
virtual bool same_type_as_me (Func const &other) const =0
 Does the input Func, "other", have the same type as me? Necessary for the equality operator to function correctly. All derived Func classes must implement this function. More...
 
virtual Real estimate_dfunc (Real const r) const
 Estimates the derivative of this function at a given radius by calculating the slope of the secant line from func(r) and func(r+1e-05). More...
 
virtual Real estimate_dfunc (Real const r, Real const h) const
 Estimates the derivative of this function at a given radius by calculating the slope of the secant line from func(r) and func(r+h). More...
 
virtual void show (std::ostream &out) const
 Prints out space-delimited columns for r, func, dfunc and dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ). More...
 

Private Attributes

Real lb_
 
Real ub_
 
Real sd_
 
Real rswitch_
 
std::string type_
 

Constructor & Destructor Documentation

core::scoring::constraints::BoundFunc::BoundFunc ( Real const  lb,
Real const  ub,
Real  sd,
std::string const &  type 
)

Referenced by clone().

core::scoring::constraints::BoundFunc::BoundFunc ( Real const  lb,
Real const  ub,
Real  sd,
Real  rswitch,
std::string const &  type 
)

Member Function Documentation

func::FuncOP core::scoring::constraints::BoundFunc::clone ( ) const
overridevirtual

This method must return a deep copy of this Func, meaning if this Func holds pointers to other Func objects, that it must clone those Func objects as well.

Implements core::scoring::func::Func.

Reimplemented in core::scoring::constraints::OffsetPeriodicBoundFunc, and core::scoring::constraints::PeriodicBoundFunc.

References BoundFunc().

Referenced by protocols::abinitio::AlternativePairings::build_constraints().

Real core::scoring::constraints::BoundFunc::dfunc ( Real const  const) const
overridevirtual

Returns a value representing the derivative of this function evaluated at a given point.

Implements core::scoring::func::Func.

Reimplemented in core::scoring::constraints::OffsetPeriodicBoundFunc, and core::scoring::constraints::PeriodicBoundFunc.

References lb_, rswitch_, sd_, and ub_.

Referenced by core::scoring::constraints::PeriodicBoundFunc::dfunc(), and core::scoring::constraints::OffsetPeriodicBoundFunc::dfunc().

Real core::scoring::constraints::BoundFunc::func ( Real const  const) const
overridevirtual
Real core::scoring::constraints::BoundFunc::lb ( ) const
inline

References lb_.

bool core::scoring::constraints::BoundFunc::operator== ( Func const &  rhs) const
override
void core::scoring::constraints::BoundFunc::read_data ( std::istream &  )
overridevirtual
Real core::scoring::constraints::BoundFunc::rswitch ( ) const
inline

References rswitch_.

bool core::scoring::constraints::BoundFunc::same_type_as_me ( Func const &  other) const
override

Referenced by operator==().

Real core::scoring::constraints::BoundFunc::sd ( ) const
inline

References sd_.

void core::scoring::constraints::BoundFunc::show_definition ( std::ostream &  out) const
overridevirtual

shows the definition of this function, usually the string type of function and the parameters passed in to the constructor.

Reimplemented from core::scoring::func::Func.

Reimplemented in core::scoring::constraints::OffsetPeriodicBoundFunc, and core::scoring::constraints::PeriodicBoundFunc.

References lb_, rswitch_, sd_, type_, and ub_.

Referenced by core::scoring::constraints::PeriodicBoundFunc::show_definition(), and core::scoring::constraints::OffsetPeriodicBoundFunc::show_definition().

Size core::scoring::constraints::BoundFunc::show_violations ( std::ostream &  out,
Real  r,
Size  verbose_level,
Real  threshold = 1 
) const
overridevirtual
std::string core::scoring::constraints::BoundFunc::type ( ) const
inline

References type_.

Real core::scoring::constraints::BoundFunc::ub ( ) const
inline

References ub_.

Member Data Documentation

Real core::scoring::constraints::BoundFunc::lb_
private
Real core::scoring::constraints::BoundFunc::rswitch_
private
Real core::scoring::constraints::BoundFunc::sd_
private
std::string core::scoring::constraints::BoundFunc::type_
private
Real core::scoring::constraints::BoundFunc::ub_
private

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