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core::scoring::func::CharmmPeriodicFunc Class Reference

function of type y = 0.5 * k * (1 - cos(n * (x - x0) ) ) More...

#include <CharmmPeriodicFunc.hh>

Inheritance diagram for core::scoring::func::CharmmPeriodicFunc:
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Public Member Functions

 CharmmPeriodicFunc (Real const x0_in, Real const k_in, Real const n_periodic_in)
 
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 &other) 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 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
 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 read_data (std::istream &in) override
 initialize this Func from the given std::istream. 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, core::Real threshold=1) const override
 show some sort of stringified representation of the violations for this constraint. More...
 
- 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 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 x0_
 
Real k_
 
Real n_periodic_
 

Detailed Description

function of type y = 0.5 * k * (1 - cos(n * (x - x0) ) )

Constructor & Destructor Documentation

core::scoring::func::CharmmPeriodicFunc::CharmmPeriodicFunc ( Real const  x0_in,
Real const  k_in,
Real const  n_periodic_in 
)
inline

Member Function Documentation

FuncOP core::scoring::func::CharmmPeriodicFunc::clone ( ) const
inlineoverridevirtual

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::func::CharmmPeriodicFunc::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.

References k_, n_periodic_, and x0_.

Real core::scoring::func::CharmmPeriodicFunc::func ( Real const  const) const
overridevirtual

Returns a value representing this function evaluated at a given point.

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

References k_, n_periodic_, and x0_.

Referenced by show_violations().

bool core::scoring::func::CharmmPeriodicFunc::operator== ( 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 k_, n_periodic_, same_type_as_me(), core::scoring::func::Func::same_type_as_me(), and x0_.

void core::scoring::func::CharmmPeriodicFunc::read_data ( std::istream &  )
overridevirtual

initialize this Func from the given std::istream.

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

References k_, n_periodic_, and x0_.

bool core::scoring::func::CharmmPeriodicFunc::same_type_as_me ( 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.

Referenced by operator==().

void core::scoring::func::CharmmPeriodicFunc::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.

References k_, n_periodic_, and x0_.

Size core::scoring::func::CharmmPeriodicFunc::show_violations ( std::ostream &  out,
Real  r,
Size  verbose_level,
core::Real  threshold = 1 
) const
overridevirtual

show some sort of stringified representation of the violations for this constraint.

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

References func(), and core::scoring::func::Func::show_violations().

Member Data Documentation

Real core::scoring::func::CharmmPeriodicFunc::k_
private
Real core::scoring::func::CharmmPeriodicFunc::n_periodic_
private
Real core::scoring::func::CharmmPeriodicFunc::x0_
private

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