#include <GaussianChainFunc.hh>

Inheritance diagram for core::scoring::func::GaussianChainFunc:

Public Member Functions
	GaussianChainFunc (Real const gaussian_variance, Real const loop_fixed_cost, utility::vector1< Real > const &other_distances)

	GaussianChainFunc (Real const gaussian_variance, Real const loop_fixed_cost)

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...

void	set_force_combined_gaussian_approximation (bool const &setting)

bool	force_combined_gaussian_approximation () const

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...

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...

Private Member Functions
void	initialize_parameters ()

void	initialize_func ()

Private Attributes
Real	gaussian_variance_

Real	loop_fixed_cost_

utility::vector1< Real >	other_distances_

Real	kB_T_

bool	force_combined_gaussian_approximation_

FuncOP	func_

Constructor & Destructor Documentation

core::scoring::func::GaussianChainFunc::GaussianChainFunc	(	Real const	gaussian_variance,
		Real const	loop_fixed_cost,
		utility::vector1< Real > const &	other_distances
	)

References initialize_func(), and initialize_parameters().

core::scoring::func::GaussianChainFunc::GaussianChainFunc	(	Real const	gaussian_variance,
		Real const	loop_fixed_cost
	)

References initialize_func(), and initialize_parameters().

Member Function Documentation

FuncOP core::scoring::func::GaussianChainFunc::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.

References gaussian_variance_, loop_fixed_cost_, and other_distances_.

Real core::scoring::func::GaussianChainFunc::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 func_.

bool core::scoring::func::GaussianChainFunc::force_combined_gaussian_approximation ( ) const

inline

References force_combined_gaussian_approximation_.

Real core::scoring::func::GaussianChainFunc::func ( Real const const ) const

overridevirtual

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

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

References func_.

void core::scoring::func::GaussianChainFunc::initialize_func ( )

private

References force_combined_gaussian_approximation_, func_, gaussian_variance_, loop_fixed_cost_, and other_distances_.

Referenced by GaussianChainFunc(), read_data(), and set_force_combined_gaussian_approximation().

void core::scoring::func::GaussianChainFunc::initialize_parameters ( )

private

References force_combined_gaussian_approximation_, and kB_T_.

Referenced by GaussianChainFunc().

bool core::scoring::func::GaussianChainFunc::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 force_combined_gaussian_approximation_, func_, gaussian_variance_, kB_T_, loop_fixed_cost_, other_distances_, same_type_as_me(), and core::scoring::func::Func::same_type_as_me().

void core::scoring::func::GaussianChainFunc::read_data ( std::istream & )

overridevirtual

initialize this Func from the given std::istream.

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

References gaussian_variance_, initialize_func(), loop_fixed_cost_, and other_distances_.

bool core::scoring::func::GaussianChainFunc::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::GaussianChainFunc::set_force_combined_gaussian_approximation ( bool const & setting )

inline

References force_combined_gaussian_approximation_, and initialize_func().

void core::scoring::func::GaussianChainFunc::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 func_.