#include <sfweight.h>
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 > > &fo, const HKL_data< datatypes::F_phi< T > > &fc, 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, const HKL_data< datatypes::F_sigF< T > > &fo, const HKL_data< datatypes::ABCD< T > > &hl, const HKL_data< datatypes::F_phi< T > > &fc, const HKL_data< datatypes::Flag > &usage) |
const std::vector< ftype > & | params_scale () |
const std::vector< ftype > & | params_error () |
void | debug () const |
Classes | |
struct | HLterms |
struct | TargetResult |
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.
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
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. |
Implements clipper::SFweight_base< T >.
References clipper::HKL_data< T >::base_hkl_info(), clipper::HKL_class::centric(), clipper::BasisFn_base::Fderiv::df, clipper::BasisFn_base::Fderiv::df2, clipper::HKL_class::epsilon(), clipper::HKL_class::epsilonc(), clipper::BasisFn_base::Fderiv::f, clipper::ResolutionFn::f(), clipper::BasisFn_spline::f_s(), clipper::BasisFn_spline::fderiv_s(), clipper::HKL_info::first(), clipper::HKL_data< T >::first(), clipper::HKL_data< T >::first_data(), clipper::HKL_info::HKL_reference_index::hkl_class(), clipper::HKL_info::HKL_reference_index::invresolsq(), clipper::HKL_info::HKL_reference_index::last(), clipper::Util::max(), clipper::Util::min(), clipper::HKL_data< T >::missing(), clipper::HKL_info::HKL_reference_index::next(), clipper::HKL_data< T >::next_data(), clipper::HKL_data< T >::num_obs(), clipper::ResolutionFn::params(), clipper::Util::sim(), and clipper::Matrix< T >::solve().
void clipper::SFweight_spline< T >::debug | ( | ) | const [inline] |
!!!!
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References clipper::datatypes::ABCD< dtype >::a(), clipper::datatypes::ABCD< dtype >::b(), clipper::datatypes::ABCD< dtype >::c(), clipper::HKL_class::centric(), clipper::datatypes::ABCD< dtype >::d(), 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().