Clipper
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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 00011 //L produce a work containing portions of the Library, and distribute 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 00033 //L WITHOUT ANY WARRANTY; without even the implied warranty of 00034 //L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 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 00038 //L Lesser General Public License along with this library; if not, write 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 00041 //L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, 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