Clipper
hkl_compute.h
00001 
00004 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
00005 //L
00006 //L  This library is free software and is distributed under the terms
00007 //L  and conditions of version 2.1 of the GNU Lesser General Public
00008 //L  Licence (LGPL) with the following additional clause:
00009 //L
00010 //L     `You may also combine or link a "work that uses the Library" to
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00012 //L     that work under terms of your choice, provided that you give
00013 //L     prominent notice with each copy of the work that the specified
00014 //L     version of the Library is used in it, and that you include or
00015 //L     provide public access to the complete corresponding
00016 //L     machine-readable source code for the Library including whatever
00017 //L     changes were used in the work. (i.e. If you make changes to the
00018 //L     Library you must distribute those, but you do not need to
00019 //L     distribute source or object code to those portions of the work
00020 //L     not covered by this licence.)'
00021 //L
00022 //L  Note that this clause grants an additional right and does not impose
00023 //L  any additional restriction, and so does not affect compatibility
00024 //L  with the GNU General Public Licence (GPL). If you wish to negotiate
00025 //L  other terms, please contact the maintainer.
00026 //L
00027 //L  You can redistribute it and/or modify the library under the terms of
00028 //L  the GNU Lesser General Public License as published by the Free Software
00029 //L  Foundation; either version 2.1 of the License, or (at your option) any
00030 //L  later version.
00031 //L
00032 //L  This library is distributed in the hope that it will be useful, but
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00035 //L  Lesser General Public License for more details.
00036 //L
00037 //L  You should have received a copy of the CCP4 licence and/or GNU
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00039 //L  to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
00040 //L  The GNU Lesser General Public can also be obtained by writing to the
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00042 //L  MA 02111-1307 USA
00043 
00044 
00045 #ifndef CLIPPER_HKL_COMPUTE
00046 #define CLIPPER_HKL_COMPUTE
00047 
00048 #include "hkl_datatypes.h"
00049 
00050 
00051 namespace clipper
00052 {
00053 
00054   namespace datatypes
00055   {
00056     // Define conversion operators
00057 
00059     template<class dtype> class Compute_phifom_from_abcd
00060     {
00061     public:
00062       // constructor: sets up integration tables
00063       Compute_phifom_from_abcd();
00064       const Phi_fom<dtype> operator()( const HKL_info::HKL_reference_index& ih, const ABCD<dtype>& abcd ) const;  
00065     private:
00066       ftype costab[144], sintab[144];
00067     };
00068 
00070     template<class dtype> class Compute_abcd_from_phifom
00071     {
00072     public:
00073       const ABCD<dtype> operator()( const HKL_info::HKL_reference_index& ih, const Phi_fom<dtype>& phifom ) const;  
00074     };
00075 
00077     template<class dtype> class Compute_fphi_from_fsigf_phifom
00078     {
00079     public:
00080       const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF<dtype>& fsigf, const Phi_fom<dtype>& phifom ) const;  
00081     };
00082 
00084     template<class dtype> class Compute_EsigE_from_FsigF
00085     {
00086     public:
00087       const E_sigE<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF<dtype>& fsigf ) const;  
00088     };
00089 
00091     template<class dtype> class Compute_mean_fsigf_from_fsigfano
00092     {
00093     public:
00094       const F_sigF<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF_ano<dtype>& fsigfano ) const;  
00095     };
00096 
00098     template<class dtype> class Compute_diff_fsigf_from_fsigfano
00099     {
00100     public:
00101       const F_sigF<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF_ano<dtype>& fsigfano ) const;  
00102     };
00103 
00105     template<class dtype> class Compute_neg_fphi
00106     {
00107     public:
00108       const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_phi<dtype>& fphi1 ) const;  
00109     };
00110 
00112     template<class dtype> class Compute_add_fphi
00113     {
00114     public:
00115       const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_phi<dtype>& fphi1, const F_phi<dtype>& fphi2 ) const;  
00116     };
00117 
00119     template<class dtype> class Compute_sub_fphi
00120     {
00121     public:
00122       const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_phi<dtype>& fphi1, const F_phi<dtype>& fphi2 ) const;  
00123     };
00124 
00126     template<class dtype> class Compute_add_abcd
00127     {
00128     public:
00129       const ABCD<dtype> operator()( const HKL_info::HKL_reference_index& ih, const ABCD<dtype>& abcd1, const ABCD<dtype>& abcd2 ) const;  
00130     };
00131 
00133     template<class T> class Compute_scale_u
00134     {
00135     public:
00137       Compute_scale_u( const ftype& s, const ftype& u );
00138       const T operator()( const HKL_info::HKL_reference_index& ih, T data ) const;  
00139     private:
00140       ftype s_, u_;
00141     };
00142 
00144     template<class T> class Compute_scale_u_iso
00145     {
00146     public:
00148       Compute_scale_u_iso( const ftype& s, const ftype& u );
00149       const T operator()( const HKL_info::HKL_reference_index& ih, T data ) const;  
00150     private:
00151       ftype s_, u_;
00152     };
00153 
00155     template<class T> class Compute_scale_u_aniso
00156     {
00157     public:
00159       Compute_scale_u_aniso( const ftype& s, const U_aniso_orth& u );
00160       const T operator()( const HKL_info::HKL_reference_index& ih, T data ) const;  
00161     private:
00162       ftype s_;
00163       U_aniso_orth u_;
00164     };
00165 
00167 
00169     template<class dtype, class T> class Compute_FsigF
00170     {
00171     public:
00172       const F_sigF<dtype> operator()( const HKL_info::HKL_reference_index& ih, const T& fsigf ) const;  
00173     };
00174 
00175 
00176   }
00177 
00178 
00179   namespace data32
00180   {
00181     typedef datatypes::Compute_phifom_from_abcd<ftype32> Compute_phifom_from_abcd;  
00182     typedef datatypes::Compute_abcd_from_phifom<ftype32> Compute_abcd_from_phifom;  
00183     typedef datatypes::Compute_fphi_from_fsigf_phifom<ftype32> Compute_fphi_from_fsigf_phifom;  
00184     typedef datatypes::Compute_EsigE_from_FsigF<ftype32> Compute_EsigE_from_FsigF;  
00185     typedef datatypes::Compute_mean_fsigf_from_fsigfano<ftype32> Compute_mean_fsigf_from_fsigfano;  
00186     typedef datatypes::Compute_diff_fsigf_from_fsigfano<ftype32> Compute_diff_fsigf_from_fsigfano;  
00187     typedef datatypes::Compute_neg_fphi<ftype32> Compute_neg_fphi;  
00188     typedef datatypes::Compute_add_fphi<ftype32> Compute_add_fphi;  
00189     typedef datatypes::Compute_sub_fphi<ftype32> Compute_sub_fphi;  
00190     typedef datatypes::Compute_add_abcd<ftype32> Compute_add_abcd;  
00191     typedef datatypes::Compute_scale_u_iso<datatypes::I_sigI<ftype32> > Compute_scale_u_iso_isigi;  
00192     typedef datatypes::Compute_scale_u_iso<datatypes::F_sigF<ftype32> > Compute_scale_u_iso_fsigf;  
00193     typedef datatypes::Compute_scale_u_iso<datatypes::F_sigF_ano<ftype32> > Compute_scale_u_iso_fsigfano;  
00194     typedef datatypes::Compute_scale_u_iso<datatypes::F_phi<ftype32> > Compute_scale_u_iso_fphi;  
00195     typedef datatypes::Compute_scale_u_aniso<datatypes::I_sigI<ftype32> > Compute_scale_u_aniso_isigi;  
00196     typedef datatypes::Compute_scale_u_aniso<datatypes::F_sigF<ftype32> > Compute_scale_u_aniso_fsigf;  
00197     typedef datatypes::Compute_scale_u_aniso<datatypes::F_sigF_ano<ftype32> > Compute_scale_u_aniso_fsigfano;  
00198     typedef datatypes::Compute_scale_u_aniso<datatypes::F_phi<ftype32> > Compute_scale_u_aniso_fphi;  
00199     typedef datatypes::Compute_FsigF<ftype32, datatypes::F_sigF<ftype32> > Compute_FsigF;  
00200     typedef datatypes::Compute_FsigF<ftype32, datatypes::F_sigF_ano<ftype32> > Compute_FsigF_from_ano;  
00201 
00202     typedef datatypes::Compute_scale_u<datatypes::I_sigI<ftype32> > Compute_scale_u_isigi;  // DEPRECATED
00203     typedef datatypes::Compute_scale_u<datatypes::F_sigF<ftype32> > Compute_scale_u_fsigf;  // DEPRECATED
00204     typedef datatypes::Compute_scale_u<datatypes::F_sigF_ano<ftype32> > Compute_scale_u_fsigfano;  // DEPRECATED
00205     typedef datatypes::Compute_scale_u<datatypes::F_phi<ftype32> > Compute_scale_u_fphi;  // DEPRECATED
00206   }
00207 
00208   namespace data64
00209   {
00210     typedef datatypes::Compute_phifom_from_abcd<ftype64> Compute_phifom_from_abcd;  
00211     typedef datatypes::Compute_abcd_from_phifom<ftype64> Compute_abcd_from_phifom;  
00212     typedef datatypes::Compute_fphi_from_fsigf_phifom<ftype64> Compute_fphi_from_fsigf_phifom;  
00213     typedef datatypes::Compute_EsigE_from_FsigF<ftype64> Compute_EsigE_from_FsigF;  
00214     typedef datatypes::Compute_mean_fsigf_from_fsigfano<ftype64> Compute_mean_fsigf_from_fsigfano;  
00215     typedef datatypes::Compute_diff_fsigf_from_fsigfano<ftype64> Compute_diff_fsigf_from_fsigfano;  
00216     typedef datatypes::Compute_neg_fphi<ftype64> Compute_neg_fphi;  
00217     typedef datatypes::Compute_add_fphi<ftype64> Compute_add_fphi;  
00218     typedef datatypes::Compute_sub_fphi<ftype64> Compute_sub_fphi;  
00219     typedef datatypes::Compute_add_abcd<ftype64> Compute_add_abcd;  
00220     typedef datatypes::Compute_scale_u_iso<datatypes::I_sigI<ftype64> > Compute_scale_u_iso_isigi;  
00221     typedef datatypes::Compute_scale_u_iso<datatypes::F_sigF<ftype64> > Compute_scale_u_iso_fsigf;  
00222     typedef datatypes::Compute_scale_u_iso<datatypes::F_sigF_ano<ftype64> > Compute_scale_u_iso_fsigfano;  
00223     typedef datatypes::Compute_scale_u_iso<datatypes::F_phi<ftype64> > Compute_scale_u_iso_fphi;  
00224     typedef datatypes::Compute_scale_u_aniso<datatypes::I_sigI<ftype64> > Compute_scale_u_aniso_isigi;  
00225     typedef datatypes::Compute_scale_u_aniso<datatypes::F_sigF<ftype64> > Compute_scale_u_aniso_fsigf;  
00226     typedef datatypes::Compute_scale_u_aniso<datatypes::F_sigF_ano<ftype64> > Compute_scale_u_aniso_fsigfano;  
00227     typedef datatypes::Compute_scale_u_aniso<datatypes::F_phi<ftype64> > Compute_scale_u_aniso_fphi;  
00228     typedef datatypes::Compute_FsigF<ftype64, datatypes::F_sigF<ftype64> > Compute_FsigF;  
00229     typedef datatypes::Compute_FsigF<ftype64, datatypes::F_sigF_ano<ftype64> > Compute_FsigF_from_ano;  
00230 
00231     typedef datatypes::Compute_scale_u<datatypes::I_sigI<ftype64> > Compute_scale_u_isigi;  // DEPRECATED
00232     typedef datatypes::Compute_scale_u<datatypes::F_sigF<ftype64> > Compute_scale_u_fsigf;  // DEPRECATED
00233     typedef datatypes::Compute_scale_u<datatypes::F_sigF_ano<ftype64> > Compute_scale_u_fsigfano;  // DEPRECATED
00234     typedef datatypes::Compute_scale_u<datatypes::F_phi<ftype64> > Compute_scale_u_fphi;  // DEPRECATED
00235   }
00236 
00237 
00238 
00239 } // namespace clipper
00240 
00241 #endif