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Rosetta 3.5
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#include <FullatomDisulfidePotential.hh>


Public Member Functions | |
| CB_Angle_Func () | |
| Access the histogram for this Func (in degrees) More... | |
| ~CB_Angle_Func () | |
| constraints::FuncOP | clone () const |
| virtual Real | func (Real const ) const |
| virtual Real | dfunc (Real const ) const |
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... | |
Private Attributes | |
| core::scoring::constraints::CircularSigmoidalFunc | csf_cbang1_ |
| Access the histogram for this Func. More... | |
| core::scoring::constraints::CircularSigmoidalFunc | csf_cbang2_ |
Definition at line 168 of file FullatomDisulfidePotential.hh.
| core::scoring::disulfides::CB_Angle_Func::CB_Angle_Func | ( | ) |
Access the histogram for this Func (in degrees)
Definition at line 579 of file FullatomDisulfidePotential.cc.
Referenced by clone().
| core::scoring::disulfides::CB_Angle_Func::~CB_Angle_Func | ( | ) |
Definition at line 603 of file FullatomDisulfidePotential.cc.
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inlinevirtual |
Implements core::scoring::constraints::Func.
Definition at line 176 of file FullatomDisulfidePotential.hh.
References CB_Angle_Func().
| ang[in] | Dihedral angle in radians |
Implements core::scoring::constraints::Func.
Definition at line 643 of file FullatomDisulfidePotential.cc.
References csf_cbang1_, csf_cbang2_, and core::scoring::constraints::CircularSigmoidalFunc::dfunc().
| csang[in] | Dihedral angle in radians |
Implements core::scoring::constraints::Func.
Definition at line 607 of file FullatomDisulfidePotential.cc.
References csf_cbang1_, csf_cbang2_, and core::scoring::constraints::CircularSigmoidalFunc::func().
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private |
Access the histogram for this Func.
Definition at line 195 of file FullatomDisulfidePotential.hh.
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private |
Definition at line 196 of file FullatomDisulfidePotential.hh.
1.8.4