simple log Gaussian basis function More...
#include <resol_basisfn.h>
Public Member Functions | |
| BasisFn_log_gaussian () | |
| constructor: | |
| const BasisFn_base::Fderiv & | fderiv_s (const ftype &s, const std::vector< ftype > ¶ms) const |
| the value of the resolution function | |
| 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 | |
| ftype | u_iso (const std::vector< ftype > ¶ms) const |
| return the isotropic U corresponding to the Gaussian parameters | |
Detailed Description
simple log Gaussian basis function
This class provides a Log Gaussian basis function. i.e. a 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
| const BasisFn_base::Fderiv & clipper::BasisFn_log_gaussian::fderiv_s | ( | const ftype & | s, |
| const std::vector< ftype > & | params | ||
| ) | const |
the value of the resolution function
the derivatives of the resolution function w.r.t. the parameters
References clipper::BasisFn_base::Fderiv::df, clipper::BasisFn_base::Fderiv::f, clipper::BasisFn_base::f(), and clipper::BasisFn_base::result().
Referenced by fderiv().
| const BasisFn_base::Fderiv& clipper::BasisFn_log_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 fderiv_s(), and clipper::HKL::invresolsq().
The documentation for this class was generated from the following files:
- resol_basisfn.h
- resol_basisfn.cpp
