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Rosetta
2020.50
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Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation. More...
#include <SOGFunc.hh>
Public Member Functions | |
SOGFunc () | |
SOGFunc (const utility::vector1< core::Real > &means, const utility::vector1< core::Real > &sdevs, const utility::vector1< core::Real > &weights) | |
SOGFunc (core::Real mean, core::Real sdev) | |
FuncOP | clone () const override |
returns a clone of this SOGFunc 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 the value of this SOGFunc evaluated at distance x. More... | |
Real | dfunc (Real const x) const override |
Returns the value of the first derivative of this SOGFunc at distance x. More... | |
void | check_bounds (Real const x, Real const val) const |
void | show_definition (std::ostream &out) const override |
show the definition of this SOGFunc to the specified output stream. More... | |
void | read_data (std::istream &in) override |
Initializes this SOGFunc from the given istream. More... | |
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~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 | clear_ () |
core::Real | get_alt_score_ (core::Real const x) const |
Private Attributes | |
SOGFunc_Impl | member_ |
Friends | |
std::ostream & | operator<< (std::ostream &out, const SOGFunc &f) |
Calls show( out ) on this SOGFunc. More... | |
Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation.
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inline |
core::scoring::func::SOGFunc::SOGFunc | ( | const utility::vector1< core::Real > & | means, |
const utility::vector1< core::Real > & | sdevs, | ||
const utility::vector1< core::Real > & | weights | ||
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core::scoring::func::SOGFunc::SOGFunc | ( | core::Real | mean, |
core::Real | sdev | ||
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References core::scoring::func::SOGFunc_Impl::check_bounds(), and member_.
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private |
References core::scoring::func::SOGFunc_Impl::clear_(), and member_.
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inlineoverridevirtual |
returns a clone of this SOGFunc
Implements core::scoring::func::Func.
Returns the value of the first derivative of this SOGFunc at distance x.
Implements core::scoring::func::Func.
References core::scoring::func::SOGFunc_Impl::dfunc(), and member_.
Returns the value of this SOGFunc evaluated at distance x.
Implements core::scoring::func::Func.
References core::scoring::func::SOGFunc_Impl::func(), and member_.
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private |
References core::scoring::func::SOGFunc_Impl::get_alt_score_(), and member_.
Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception.
Implements core::scoring::func::Func.
References member_, same_type_as_me(), and core::scoring::func::Func::same_type_as_me().
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overridevirtual |
Initializes this SOGFunc from the given istream.
The parameters are:
Initializes this SOGFunc from the given istream. An example of the type of string from which the istream should be constructed is: "SOGFUNC 2 19.396 7.643 0.4 17.312 2.4 0.6". The interpretation is to create initialize this SOGFunc object with the following parameters:
Reimplemented from core::scoring::func::Func.
References member_, and core::scoring::func::SOGFunc_Impl::read_data().
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==().
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overridevirtual |
show the definition of this SOGFunc to the specified output stream.
Reimplemented from core::scoring::func::Func.
References member_, and core::scoring::func::SOGFunc_Impl::show_definition().
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friend |
Calls show( out ) on this SOGFunc.
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private |
Referenced by check_bounds(), clear_(), dfunc(), func(), get_alt_score_(), operator==(), read_data(), and show_definition().