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Rosetta Core
2014.16.56682
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Rosetta Core
2014.16.56682
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Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints. More...
#include <CircularHarmonicFunc.hh>
Public Member Functions | |
| CircularHarmonicFunc (Real const x0_radians, Real const sd_radians) | |
| CircularHarmonicFunc (Real const x0_radians, Real const sd_radians, Real const offset) | |
| 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... | |
| virtual void | read_data (std::istream &in) |
| initialize this Func from the given std::istream. 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... | |
| Real | x0 () const |
| Real | sd () 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 Attributes | |
| Real | x0_ |
| Real | sd_ |
| Real | offset_ |
Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints.
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inline |
Referenced by clone().
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inline |
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inlinevirtual |
Implements core::scoring::func::Func.
References CircularHarmonicFunc().
Returns a value representing the derivative of this function evaluated at a given point.
Implements core::scoring::func::Func.
References numeric::nearest_angle_radians(), sd_, and x0_.
Returns a value representing this function evaluated at a given point.
Implements core::scoring::func::Func.
References numeric::nearest_angle_radians(), offset_, sd_, and x0_.
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virtual |
initialize this Func from the given std::istream.
Reimplemented from core::scoring::func::Func.
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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.
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private |
Referenced by dfunc(), func(), read_data(), sd(), and show_definition().
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private |
Referenced by dfunc(), func(), read_data(), show_definition(), and x0().
1.8.7