Clipper
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simple anisotropic Gaussian basis function More...
#include <resol_basisfn.h>
Public Member Functions | |
BasisFn_aniso_gaussian () | |
constructor: | |
const BasisFn_base::Fderiv & | fderiv_coord (const Coord_reci_orth &xs, const std::vector< ftype > ¶ms) const |
the derivatives of the resolution function w.r.t. the parameters | |
const BasisFn_base::Fderiv & | fderiv (const HKL &hkl, const Cell &cell, const std::vector< ftype > ¶ms) const |
the value of the resolution function (override for speed) | |
ftype | scale (const std::vector< ftype > ¶ms) const |
return the scale factor corresponding to the Gaussian parameters | |
U_aniso_orth | u_aniso_orth (const std::vector< ftype > ¶ms) const |
return the anisotropic U corresponding to the Gaussian parameters |
simple anisotropic Gaussian basis function
This class provides a anisotropic Gaussian basis function.
const BasisFn_base::Fderiv& clipper::BasisFn_aniso_gaussian::fderiv | ( | const HKL & | hkl, |
const Cell & | cell, | ||
const std::vector< ftype > & | params | ||
) | const [inline, virtual] |
the value of the resolution function (override for speed)
the derivatives of the resolution function w.r.t. the parameters
Implements clipper::BasisFn_base.
References clipper::HKL::coord_reci_orth(), and fderiv_coord().