|
Rosetta 3.5
|
All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
|
Rosetta 3.5
|
#include <Etable.hh>
Public Member Functions | |
| SplineParameters () | |
Public Attributes | |
| Real | ylo |
| Real | yhi |
| Real | y2lo |
| Real | y2hi |
Simple struct for holding the cubic spline polynomials used in the etable to interpolate the lennard-jones attractive and LK-solvation terms to zero smoothly. These splines have exactly two knots to represent them, and the same x values are used for all the knots: thus the only parameters needed are the y values at the knots, and the second-derivatives for the polynomials at knots.
|
inline |
| Real core::scoring::etable::SplineParameters::y2hi |
Definition at line 79 of file Etable.hh.
Referenced by core::scoring::etable::Etable::eval_spline(), core::scoring::hackelec::HackElecEnergy::initialize(), core::scoring::etable::Etable::smooth_etables_one_pair(), and core::scoring::etable::Etable::spline_deriv().
| Real core::scoring::etable::SplineParameters::y2lo |
Definition at line 79 of file Etable.hh.
Referenced by core::scoring::etable::Etable::eval_spline(), core::scoring::hackelec::HackElecEnergy::initialize(), core::scoring::etable::Etable::smooth_etables_one_pair(), and core::scoring::etable::Etable::spline_deriv().
| Real core::scoring::etable::SplineParameters::yhi |
Definition at line 78 of file Etable.hh.
Referenced by core::scoring::etable::Etable::eval_spline(), core::scoring::hackelec::HackElecEnergy::initialize(), core::scoring::etable::Etable::smooth_etables_one_pair(), and core::scoring::etable::Etable::spline_deriv().
| Real core::scoring::etable::SplineParameters::ylo |
Definition at line 78 of file Etable.hh.
Referenced by core::scoring::etable::Etable::eval_spline(), core::scoring::hackelec::HackElecEnergy::initialize(), core::scoring::etable::Etable::smooth_etables_one_pair(), and core::scoring::etable::Etable::spline_deriv().
1.8.4