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Public Member Functions | Static Private Member Functions | List of all members
core::scoring::disulfides::SG_Dist_Func Class Reference

#include <FullatomDisulfidePotential.hh>

Inheritance diagram for core::scoring::disulfides::SG_Dist_Func:
Inheritance graph
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Public Member Functions

 SG_Dist_Func ()
 
 ~SG_Dist_Func () override
 
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 &other) const override
 
bool same_type_as_me (Func const &other) const override
 
Real func (Real const ) const override
 
Real dfunc (Real const ) const override
 
- 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 void read_data (std::istream &)
 initialize this Func from the given std::istream. 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 Private Member Functions

static
numeric::interpolation::HistogramCOP
< core::Real, core::Real >
::Type 
fa_ssdist_scores ()
 Access the histogram for this Func. More...
 
static
numeric::interpolation::HistogramCOP
< core::Real, core::Real >
::Type 
fa_ssdist_scores_deriv ()
 Access the histogram for this Func's derivative. More...
 

Constructor & Destructor Documentation

core::scoring::disulfides::SG_Dist_Func::SG_Dist_Func ( )
default
core::scoring::disulfides::SG_Dist_Func::~SG_Dist_Func ( )
overridedefault

Member Function Documentation

func::FuncOP core::scoring::disulfides::SG_Dist_Func::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::disulfides::SG_Dist_Func::dfunc ( Real const  ssdist) const
overridevirtual
Parameters
ssdist[in]S-S distance, in Angstroms

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

References fa_ssdist_scores().

numeric::interpolation::HistogramCOP< core::Real, core::Real >::Type core::scoring::disulfides::SG_Dist_Func::fa_ssdist_scores ( )
staticprivate

Access the histogram for this Func.

Referenced by dfunc(), and func().

static numeric::interpolation::HistogramCOP<core::Real,core::Real>::Type core::scoring::disulfides::SG_Dist_Func::fa_ssdist_scores_deriv ( )
staticprivate

Access the histogram for this Func's derivative.

Real core::scoring::disulfides::SG_Dist_Func::func ( Real const  ssdist) const
overridevirtual
Parameters
ssdist[in]S-S distance, in Angstroms

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

References fa_ssdist_scores().

bool core::scoring::disulfides::SG_Dist_Func::operator== ( Func const &  other) const
override

References same_type_as_me().

bool core::scoring::disulfides::SG_Dist_Func::same_type_as_me ( Func const &  other) const
override

Referenced by operator==().


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