Clipper
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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 More... | |
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... | |
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 | |
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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 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 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.
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
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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.