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Rosetta 3.5
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Rosetta 3.5
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Public Member Functions | |
| LK_SigmoidalFunc () | |
| FuncOP | clone () const |
| virtual Real | func (Real const x) const |
| a Sigmoidal function that ramps from 1 to 0 over a certain range. Thanks to Mike Tyka for having a sigmoidal function on the top of his head. More... | |
| virtual Real | dfunc (Real const x) const |
| Returns a value representing the derivative of this function evaluated at a given point. More... | |
 Public Member Functions inherited from core::scoring::constraints::Func | |
| virtual | ~Func () |
| Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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 Public Attributes | |
| static Real const | ANGLE_CUTOFF_HIGH |
| Ramp the score from 1 to 0 over the range from 100 degrees to 90 degrees. More... | |
| static Real const | ANGLE_CUTOFF_LOW |
| static Real const | cos_flipped_ANGLE_CUTOFF_HIGH |
| static Real const | cos_flipped_ANGLE_CUTOFF_LOW |
Definition at line 68 of file LK_hack.cc.
| core::scoring::methods::LK_SigmoidalFunc::LK_SigmoidalFunc | ( | ) |
Definition at line 97 of file LK_hack.cc.
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Implements core::scoring::constraints::Func.
Definition at line 99 of file LK_hack.cc.
Returns a value representing the derivative of this function evaluated at a given point.
Implements core::scoring::constraints::Func.
Definition at line 120 of file LK_hack.cc.
References protocols::sic_dock::range().
a Sigmoidal function that ramps from 1 to 0 over a certain range. Thanks to Mike Tyka for having a sigmoidal function on the top of his head.
Implements core::scoring::constraints::Func.
Definition at line 104 of file LK_hack.cc.
References protocols::sic_dock::range().
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Ramp the score from 1 to 0 over the range from 100 degrees to 90 degrees.
Definition at line 78 of file LK_hack.cc.
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Definition at line 79 of file LK_hack.cc.
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Definition at line 81 of file LK_hack.cc.
Referenced by core::scoring::methods::LK_hack::calculate_derivatives_for_residue_pair(), and core::scoring::methods::LK_hack::residue_pair_energy().
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Definition at line 82 of file LK_hack.cc.
Referenced by core::scoring::methods::LK_hack::calculate_derivatives_for_residue_pair(), and core::scoring::methods::LK_hack::residue_pair_energy().
1.8.4