core::scoring::func::GaussianChainFunc Class Reference

#include <GaussianChainFunc.hh>

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
Real	func (Real const x) const
	Returns a value representing this function evaluated at a given point. More...
Real	dfunc (Real const x) const
	Returns a value representing the derivative of this function evaluated at a given point. More...
void	read_data (std::istream &in)
	initialize this Func from the given std::istream. More...
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...
void	set_force_combined_gaussian_approximation (bool const &setting)
bool	force_combined_gaussian_approximation () const
Public Member Functions inherited from core::scoring::func::Func
virtual	~Func ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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().

Referenced by clone().

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

virtual

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

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

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

virtual

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

virtual

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_, utility::pointer::owning_ptr< T >::get(), loop_fixed_cost_, other_distances_, and runtime_assert.

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().

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

virtual

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_.

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

virtual

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_.

Member Data Documentation

bool core::scoring::func::GaussianChainFunc::force_combined_gaussian_approximation_

private

Referenced by force_combined_gaussian_approximation(), initialize_func(), initialize_parameters(), and set_force_combined_gaussian_approximation().

FuncOP core::scoring::func::GaussianChainFunc::func_

private

Referenced by dfunc(), func(), initialize_func(), and show_definition().

Real core::scoring::func::GaussianChainFunc::gaussian_variance_

private

Referenced by clone(), initialize_func(), and read_data().

Real core::scoring::func::GaussianChainFunc::kB_T_

private

Referenced by initialize_parameters().

Real core::scoring::func::GaussianChainFunc::loop_fixed_cost_

private

Referenced by clone(), initialize_func(), and read_data().

utility::vector1< Real > core::scoring::func::GaussianChainFunc::other_distances_

private

Referenced by clone(), initialize_func(), and read_data().

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

• symlinks/rosetta/src/core/scoring/func/GaussianChainFunc.hh
• symlinks/rosetta/src/core/scoring/func/GaussianChainFunc.cc