clipper::BasisFn_log_gaussian Class Reference

simple log Gaussian basis function More...

#include <resol_basisfn.h>

Inheritance diagram for clipper::BasisFn_log_gaussian:

Public Member Functions
	BasisFn_log_gaussian ()
	constructor:
const BasisFn_base::Fderiv &	fderiv_s (const ftype &s, const std::vector< ftype > &params) const
	the value of the resolution function
const BasisFn_base::Fderiv &	fderiv (const HKL &hkl, const Cell &cell, const std::vector< ftype > &params) 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 > &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 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 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

fderiv_s()

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

fderiv()

const BasisFn_base::Fderiv & clipper::BasisFn_log_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.

type()

FNtype clipper::BasisFn_log_gaussian::type ( ) const

inlinevirtual

the type of the function: optionally used to improve convergence

Reimplemented from clipper::BasisFn_base.

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

• resol_basisfn.h
• resol_basisfn.cpp