sfweight.h

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00001 
00004 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
00005 //L
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00010 //L     `You may also combine or link a "work that uses the Library" to
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00020 //L     not covered by this licence.)'
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00022 //L  Note that this clause grants an additional right and does not impose
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00027 //L  You can redistribute it and/or modify the library under the terms of
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00043 
00044 
00045 #ifndef CLIPPER_SFWEIGHT
00046 #define CLIPPER_SFWEIGHT
00047 
00048 
00049 #include "function_object_bases.h"
00050 
00051 
00052 namespace clipper {
00053 
00054 
00056 
00067   template<class T> class SFweight_spline : public SFweight_base<T> {
00068   public:
00070     SFweight_spline( const int n_reflns = 1000, const int n_params = 20, const int n_phases = 24 ) { init( n_reflns, n_params, n_phases ); }
00072     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 );
00074     void init( const int n_reflns = 1000, const int n_params = 20, const int n_phases = 24 );
00075     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 );
00076     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 );
00077     const std::vector<ftype>& params_scale() { return param_s; }
00078     const std::vector<ftype>& params_error() { return param_w; }
00079     void debug() const;
00080   private:
00081     struct TargetResult { ftype r, ds, dw, dss, dww, dsw; };
00082     struct HLterms { ftype cosa, sina, cos2a, sin2a; };
00084     TargetResult targetfn0( const HKL_class cls, const datatypes::F_sigF<T>& fo0, const datatypes::F_phi<T>& fc0, const ftype& s, const ftype& w ) const;
00085     TargetResult targetfn1( 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;
00086     TargetResult targetfn2( 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;
00087     int nparams, nreflns;
00088     std::vector<ftype> param_s, param_w;
00089     std::vector<HLterms> hlterms;
00090   };
00091 
00092 
00093 } // namespace clipper
00094 
00095 #endif

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