clipper::SFweight_spline< T > Class Template Reference

Structure factor weighting by sigmaa-related spline method. More...

#include <sfweight.h>

Inheritance diagram for clipper::SFweight_spline< T >:

List of all members.

Classes
struct	HLterms
class	TargetFo
class	TargetHL
struct	TargetResult
Public Member Functions
	SFweight_spline (const int n_reflns=1000, const int n_params=20, const int n_phases=24)
	constructor
	SFweight_spline (HKL_data< datatypes::F_phi< T > > &fb, HKL_data< datatypes::F_phi< T > > &fd, HKL_data< datatypes::Phi_fom< T > > &phiw, const HKL_data< datatypes::F_sigF< T > > &fo, const HKL_data< datatypes::F_phi< T > > &fc, const HKL_data< datatypes::Flag > &usage, const int n_reflns=1000, const int n_params=20)
	constructor: shorthand for constructor+operator
void	init (const int n_reflns=1000, const int n_params=20, const int n_phases=24)
	initialise: from parameters
bool	operator() (HKL_data< datatypes::F_phi< T > > &fb, HKL_data< datatypes::F_phi< T > > &fd, HKL_data< datatypes::Phi_fom< T > > &phiw, const HKL_data< datatypes::F_sigF< T > > &fo0, const HKL_data< datatypes::F_phi< T > > &fc0, const HKL_data< datatypes::Flag > &usage)
	Structure factor weighting (sigmaa) definition.
bool	operator() (HKL_data< datatypes::F_phi< T > > &fb, HKL_data< datatypes::F_phi< T > > &fd, HKL_data< datatypes::Phi_fom< T > > &phiw, HKL_data< datatypes::ABCD< T > > &hl, const HKL_data< datatypes::F_sigF< T > > &fo0, const HKL_data< datatypes::ABCD< T > > &hl0, const HKL_data< datatypes::F_phi< T > > &fc0, const HKL_data< datatypes::Flag > &usage)
template<class F >
bool	evaluate (HKL_data< datatypes::F_phi< T > > &fb, HKL_data< datatypes::F_phi< T > > &fd, HKL_data< datatypes::Phi_fom< T > > &phiw, HKL_data< datatypes::ABCD< T > > &hl, const HKL_data< datatypes::F_sigF< T > > &fo0, const HKL_data< datatypes::ABCD< T > > &hl0, const HKL_data< datatypes::F_phi< T > > &fc0, const HKL_data< datatypes::Flag > &usage, F tgt)
template<class F >
bool	reevaluate (HKL_data< datatypes::F_phi< T > > &fb, HKL_data< datatypes::F_phi< T > > &fd, HKL_data< datatypes::Phi_fom< T > > &phiw, HKL_data< datatypes::ABCD< T > > &hl, const HKL_data< datatypes::F_sigF< T > > &fo0, const HKL_data< datatypes::ABCD< T > > &hl0, const HKL_data< datatypes::F_phi< T > > &fc0, const HKL_data< datatypes::Flag > &usage, F tgt)
const std::vector< ftype > &	params_scale ()
const std::vector< ftype > &	params_error ()
const double &	log_likelihood_work ()
const double &	log_likelihood_free ()
void	debug () const
TargetResult	targetfn (const HKL_class cls, const datatypes::F_sigF< T > &fo0, const datatypes::F_phi< T > &fc0, const ftype &s, const ftype &w) const
TargetResult	targethl (const HKL_class cls, const datatypes::F_sigF< T > &fo0, const datatypes::ABCD< T > &hl0, const datatypes::F_phi< T > &fc0, const ftype &s, const ftype &w) const

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Detailed Description

template<class T>
class clipper::SFweight_spline< T >

Structure factor weighting by sigmaa-related spline method.

Perform structure factor weighting to obtain likelihood weights for structure factors.

This implementation uses a single list of reflections for both scaling and sigmaa, thus the only relevent usage flags are NONE/BOTH.

The number of spline parameters or the number of reflections per parameter may be specified. If either is zero, the other takes priority. If both are non-zero, a compromise value is used.

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Member Function Documentation

template<class T >

bool clipper::SFweight_spline< T >::operator()	(	HKL_data< datatypes::F_phi< T > > &	fb,
		HKL_data< datatypes::F_phi< T > > &	fd,
		HKL_data< datatypes::Phi_fom< T > > &	phiw,
		const HKL_data< datatypes::F_sigF< T > > &	fo,
		const HKL_data< datatypes::F_phi< T > > &	fc,
		const HKL_data< datatypes::Flag > &	usage
	)			[inline, virtual]

Structure factor weighting (sigmaa) definition.

In the implementations, this function will do the actual structure factor weighting calculation

Parameters:

	fb	Output best map coefficients.
	fd	Output difference map coefficients.
	phiw	Output phase and figure-of-merit.
	fo	Input observed structure factors.
	fc	Input calculated map coefficients.
	flag	Input flag indicating what to use this reflection for.

Returns:

true on success.

Implements clipper::SFweight_base< T >.

template<class T >

void clipper::SFweight_spline< T >::debug

(

)

const [inline]

!!!!

References clipper::HKL_class::centric(), clipper::HKL_class::epsilonc(), clipper::datatypes::F_phi< dtype >::f(), clipper::datatypes::F_sigF< dtype >::f(), clipper::datatypes::F_phi< dtype >::phi(), and clipper::datatypes::F_sigF< dtype >::sigf().

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

• sfweight.h
• sfweight.cpp