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Public Member Functions | Static Public Attributes | List of all members
core::scoring::methods::LK_SigmoidalFunc Class Reference
Inheritance diagram for core::scoring::methods::LK_SigmoidalFunc:
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Public Member Functions

 LK_SigmoidalFunc ()
 
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::Func const &rhs) const override
 Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...
 
bool same_type_as_me (func::Func const &other) const override
 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...
 
Real func (Real const x) const override
 a Sigmoidal function that ramps from 1 to 0 over a certain range. Thanks to Mike Tyka for having a sigmoidal function on the top of his head. More...
 
Real dfunc (Real const x) const override
 
- Public Member Functions inherited from core::scoring::func::Func
 ~Func () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
bool operator!= (Func const &other) const
 inequality operator – simply the negation of the (virtual) equality operator More...
 
virtual void read_data (std::istream &)
 initialize this Func from the given std::istream. More...
 
virtual Real func (Real const ) const =0
 Returns a value representing this function evaluated at a given point. More...
 
virtual Real dfunc (Real const ) const =0
 Returns a value representing the derivative of this function evaluated at a given point. 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...
 
virtual void show_definition (std::ostream &out) const
 shows the definition of this function, usually the string type of function and the parameters passed in to the constructor. More...
 
virtual Size show_violations (std::ostream &out, Real r, Size verbose_level, Real threshold=1) const
 show some sort of stringified representation of the violations for this constraint. More...
 

Static Public Attributes

static Real const ANGLE_CUTOFF_HIGH
 Ramp the score from 1 to 0 over the range from 100 degrees to 90 degrees. More...
 
static Real const ANGLE_CUTOFF_LOW
 
static Real const cos_flipped_ANGLE_CUTOFF_HIGH
 
static Real const cos_flipped_ANGLE_CUTOFF_LOW
 

Constructor & Destructor Documentation

core::scoring::methods::LK_SigmoidalFunc::LK_SigmoidalFunc ( )
default

Member Function Documentation

core::scoring::func::FuncOP core::scoring::methods::LK_SigmoidalFunc::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.

Real core::scoring::methods::LK_SigmoidalFunc::dfunc ( Real const  x) const
override
Real core::scoring::methods::LK_SigmoidalFunc::func ( Real const  x) const
override

a Sigmoidal function that ramps from 1 to 0 over a certain range. Thanks to Mike Tyka for having a sigmoidal function on the top of his head.

References protocols::sic_dock::range().

bool core::scoring::methods::LK_SigmoidalFunc::operator== ( func::Func const &  other) const
overridevirtual

Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception.

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

References core::scoring::func::Func::same_type_as_me().

bool core::scoring::methods::LK_SigmoidalFunc::same_type_as_me ( func::Func const &  other) const
overridevirtual

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.

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

Member Data Documentation

Real const core::scoring::methods::LK_SigmoidalFunc::ANGLE_CUTOFF_HIGH
static

Ramp the score from 1 to 0 over the range from 100 degrees to 90 degrees.

Real const core::scoring::methods::LK_SigmoidalFunc::ANGLE_CUTOFF_LOW
static
Real const core::scoring::methods::LK_SigmoidalFunc::cos_flipped_ANGLE_CUTOFF_HIGH
static
Real const core::scoring::methods::LK_SigmoidalFunc::cos_flipped_ANGLE_CUTOFF_LOW
static

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