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Rosetta
2016.11
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Derived class of class Func representing a Mixture of several distinct functions. The function is of the form ln( g(r) / h(r) ), where g(r) is a mixture of a Gaussian and Exponential distributions, and h(r) is a Gaussian distribution. See methods and implementation for more information. More...
#include <MixtureFunc.hh>
Public Member Functions | |
MixtureFunc (Real const anchor, Real const gaussian_param, Real const exp_param, Real const mixture_param, Real const bg_mean, Real const bg_sd) | |
FuncOP | clone () const |
returns a clone of this MixtureFunc More... | |
virtual bool | operator== (Func const &other) const |
Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More... | |
virtual bool | same_type_as_me (Func const &other) const |
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 |
Returns the value of this MixtureFunc evaluated at distance x. More... | |
Real | dfunc (Real const x) const |
Returns the value of the first derivative of this MixtureFunc at distance x. More... | |
virtual void | show_definition (std::ostream &out) const |
show the definitio of this MixtureFunc to the specified output stream. More... | |
Real | dfunc_component (Real const x, Real &g, Real &h, Real &g_prime, Real &h_prime) const |
Function that's used for debugging. Given x, this calculates g(x), h(x), g'(x) and h'(x). More... | |
Real | calc_kl_divergence () const |
Calculates the K-L divergence between the inferred and background distributions. More... | |
virtual void | show (std::ostream &out) const |
Prints this MixtureFunc to the given ostream. More... | |
void | read_data (std::istream &in) |
The parameters are: More... | |
Real | func_ (Real x) const |
Returns the value of this MixtureFunc evaluated at distance x. More... | |
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virtual | ~Func () |
Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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 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 | verify_parameters_ () |
Private Attributes | |
Real | rmax_ |
Real | fmax_ |
Real | anchor_ |
Real | gaussian_param_ |
Real | exp_param_ |
Real | mixture_param_ |
Real | bg_mean_ |
Real | bg_sd_ |
Friends | |
std::ostream & | operator<< (std::ostream &out, const MixtureFunc &f) |
Calls show( out ) on this MixtureFunc. More... | |
Derived class of class Func representing a Mixture of several distinct functions. The function is of the form ln( g(r) / h(r) ), where g(r) is a mixture of a Gaussian and Exponential distributions, and h(r) is a Gaussian distribution. See methods and implementation for more information.
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inline |
Constructor for MixtureFunc. Arguments to the constructor are:
References anchor_, and verify_parameters_().
Referenced by clone().
Real core::scoring::func::MixtureFunc::calc_kl_divergence | ( | ) | const |
Calculates the K-L divergence between the inferred and background distributions.
References core::sequence::end, and protocols::loops::start.
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inlinevirtual |
Returns the value of the first derivative of this MixtureFunc at distance x.
Implements core::scoring::func::Func.
Real core::scoring::func::MixtureFunc::dfunc_component | ( | Real const | x, |
Real & | g, | ||
Real & | h, | ||
Real & | g_prime, | ||
Real & | h_prime | ||
) | const |
Function that's used for debugging. Given x, this calculates g(x), h(x), g'(x) and h'(x).
References core::scoring::constraints::dexponential(), core::scoring::constraints::dgaussian(), core::scoring::constraints::exponential_deriv(), and core::scoring::constraints::gaussian_deriv().
Returns the value of this MixtureFunc evaluated at distance x.
Implements core::scoring::func::Func.
References protocols::hybridization::score.
Returns the value of this MixtureFunc evaluated at distance x.
private
References core::scoring::constraints::dexponential(), core::scoring::constraints::dgaussian(), and protocols::hybridization::score.
Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception.
Implements core::scoring::func::Func.
References anchor_, bg_mean_, bg_sd_, exp_param_, fmax_, gaussian_param_, mixture_param_, rmax_, and core::scoring::func::Func::same_type_as_me().
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virtual |
The parameters are:
Initializes this MixtureFunc from the given istream. An example of the type of string from which the istream should be constructed is: "MIXTUREFUNC 6.9734 3.598 0.222 0.872 19.396 7.643". The interpretation is to create initialize this MixtureFunc object with the following parameters:
Reimplemented from core::scoring::func::Func.
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.
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virtual |
Prints this MixtureFunc to the given ostream.
Reimplemented from core::scoring::func::Func.
References protocols::comparative_modeling::features::A, core::sequence::end, core::chemical::element::F, core::chemical::element::I, and protocols::loops::start.
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show the definitio of this MixtureFunc to the specified output stream.
Reimplemented from core::scoring::func::Func.
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Referenced by MixtureFunc().
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friend |
Calls show( out ) on this MixtureFunc.
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Referenced by MixtureFunc(), and operator==().
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Referenced by operator==().
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Referenced by operator==().
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Referenced by operator==().
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Referenced by operator==().
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Referenced by operator==().
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Referenced by operator==().
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Referenced by operator==().