Clipper
Public Member Functions | List of all members
clipper::BasisFn_gaussian Class Reference

simple Gaussian basis function More...

#include <resol_basisfn.h>

Inheritance diagram for clipper::BasisFn_gaussian:
clipper::BasisFn_base

Public Member Functions

 BasisFn_gaussian ()
 constructor:
 
const BasisFn_base::Fderivfderiv_s (const ftype &s, const std::vector< ftype > &params) const
 the value of the resolution function More...
 
const BasisFn_base::Fderivfderiv (const HKL &hkl, const Cell &cell, const std::vector< ftype > &params) const
 the value of the resolution function (override for speed) More...
 
ftype scale (const std::vector< ftype > &params) const
 return the scale factor corresponding to the Gaussian parameters
 
ftype u_iso (const std::vector< ftype > &params) const
 return the isotropic 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 > &params) 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

- 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
Fderivresult () const
 provide write access to result for subclasses
 
virtual ~BasisFn_base ()
 destructor
 

Detailed Description

simple Gaussian basis function

This class provides a Gaussian basis function.

Member Function Documentation

const BasisFn_base::Fderiv & clipper::BasisFn_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

const BasisFn_base::Fderiv& clipper::BasisFn_gaussian::fderiv ( const HKL hkl,
const Cell cell,
const std::vector< ftype > &  params 
) const
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.


The documentation for this class was generated from the following files: