simple anisotropic Gaussian basis function More...
#include <resol_basisfn.h>
Inheritance diagram for clipper::BasisFn_log_aniso_gaussian:
Public Member Functions | |
| BasisFn_log_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) | |
| FNtype | type () const |
| the type of the function: optionally used to improve convergence | |
| 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 | |
 Public Member Functions inherited from clipper::BasisFn_base | |
| 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 int | num_diagonals () const |
| number of non-zero diagonals in the upper triangle of the curvatures | |
Additional Inherited Members | |
| Public Types inherited from clipper::BasisFn_base | |
| enum | FNtype { GENERAL , LINEAR } |
| enumeration of function types: optionally used to improve convergence | |
| Protected Member Functions inherited from clipper::BasisFn_base | |
| Fderiv & | result () const |
| provide write access to result for subclasses | |
| virtual | ~BasisFn_base () |
| destructor | |
Detailed Description
simple anisotropic Gaussian basis function
This class provides a anisotropic Gaussian basis function. i.e. a general quadratic function of resolution. Use this in conjunction with a Log-target function to get a fast estimate to a Gaussian fit.
Member Function Documentation
◆ fderiv()
|
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.
◆ type()
|
inlinevirtual |
the type of the function: optionally used to improve convergence
Reimplemented from clipper::BasisFn_base.
The documentation for this class was generated from the following files:
- resol_basisfn.h
- resol_basisfn.cpp
