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) More... | |
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 | |
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BasisFn_base () | |
null constructor | |
BasisFn_base (const int &np) | |
constructor: takes number of parameters | |
const int & | num_params () const |
the number of parameters of this basis function | |
virtual ftype | f (const HKL &hkl, const Cell &cell, const std::vector< ftype > ¶ms) const |
the value of the resolution function | |
virtual FNtype | type () const |
the type of the function: optionally used to improve convergence More... | |
virtual int | num_diagonals () const |
number of non-zero diagonals in the upper triangle of the curvatures More... | |
Additional Inherited Members | |
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enum | FNtype { GENERAL, LINEAR } |
enumeration of function types: optionally used to improve convergence | |
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Fderiv & | result () const |
provide write access to result for subclasses | |
virtual | ~BasisFn_base () |
destructor | |
simple anisotropic Gaussian basis function
This class provides a anisotropic Gaussian basis function.
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inlinevirtual |
the value of the resolution function (override for speed)
the derivatives of the resolution function w.r.t. the parameters
Implements clipper::BasisFn_base.