function_object_bases.h

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00001 
00005 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
00006 //L
00007 //L  This library is free software and is distributed under the terms
00008 //L  and conditions of version 2.1 of the GNU Lesser General Public
00009 //L  Licence (LGPL) with the following additional clause:
00010 //L
00011 //L     `You may also combine or link a "work that uses the Library" to
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00013 //L     that work under terms of your choice, provided that you give
00014 //L     prominent notice with each copy of the work that the specified
00015 //L     version of the Library is used in it, and that you include or
00016 //L     provide public access to the complete corresponding
00017 //L     machine-readable source code for the Library including whatever
00018 //L     changes were used in the work. (i.e. If you make changes to the
00019 //L     Library you must distribute those, but you do not need to
00020 //L     distribute source or object code to those portions of the work
00021 //L     not covered by this licence.)'
00022 //L
00023 //L  Note that this clause grants an additional right and does not impose
00024 //L  any additional restriction, and so does not affect compatibility
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00026 //L  other terms, please contact the maintainer.
00027 //L
00028 //L  You can redistribute it and/or modify the library under the terms of
00029 //L  the GNU Lesser General Public License as published by the Free Software
00030 //L  Foundation; either version 2.1 of the License, or (at your option) any
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00033 //L  This library is distributed in the hope that it will be useful, but
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00044 
00045 
00046 #ifndef CLIPPER_FUNCTION_OBJECT_BASES
00047 #define CLIPPER_FUNCTION_OBJECT_BASES
00048 
00049 
00050 #include "../core/hkl_datatypes.h"
00051 #include "../core/xmap.h"
00052 #include "../core/nxmap_operator.h"
00053 
00054 
00055 namespace clipper {
00056 
00058 
00059   template<class T> class SFcalc_base {
00060   public:
00062 
00070     virtual bool operator() ( HKL_data<datatypes::F_phi<T> >& fphidata, const Atom_list& atoms ) const = 0;
00071     virtual ~SFcalc_base() {}  
00072   };
00073 
00074 
00076 
00077   template<class T> class EDcalc_base {
00078   public:
00080 
00088     virtual bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const = 0;
00089     virtual bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const = 0;
00090     virtual ~EDcalc_base() {}  
00091   };
00092 
00093 
00095 
00096   template<class T> class SFcalc_obs_base {
00097   public:
00099 
00109     virtual bool operator() ( HKL_data<datatypes::F_phi<T> >& fphi, const HKL_data<datatypes::F_sigF<T> >& fsig, const Atom_list& atoms ) = 0;
00110     virtual ~SFcalc_obs_base() {}  
00111   };
00112 
00113 
00115 
00116   template<class T> class SFweight_base {
00117   public:
00119     enum TYPE { NONE, SIGMAA, SCALE, BOTH };
00121 
00130     virtual 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 ) = 0;
00131     virtual ~SFweight_base() {}  
00132   };
00133 
00134 
00136 
00137   template<class T> class SFscale_base {
00138   public:
00140 
00145     virtual bool operator() ( HKL_data<datatypes::F_sigF<T> >& fo, const HKL_data<datatypes::F_phi<T> >& fc ) = 0;
00147 
00152     virtual bool operator() ( HKL_data<datatypes::F_phi<T> >& fc, const HKL_data<datatypes::F_sigF<T> >& fo ) = 0;
00154 
00158     virtual bool operator() ( HKL_data<datatypes::F_sigF<T> >& fo ) = 0;
00159     virtual ~SFscale_base() {}  
00160   };
00161 
00162 
00164 
00165   template<class T> class MapFilter_base {
00166   public:
00168 
00174     virtual bool operator() ( Xmap<T>& result, const Xmap<T>& xmap ) const = 0;
00175     virtual ~MapFilter_base() {}  
00176   };
00177 
00178 
00180 
00184   template<class T> class Convolution_search_base {
00185   public:
00196     virtual bool operator() ( Xmap<T>& result, const NXmap<T>& srchval, const NX_operator& nxop ) const = 0;
00197     virtual ~Convolution_search_base() {}  
00198   };
00199 
00201 
00205   template<class T> class FFFear_base {
00206   public:
00218     virtual bool operator() ( Xmap<T>& result, const NXmap<T>& srchval, const NXmap<T>& srchwgt, const NX_operator& nxop ) const = 0;
00219     virtual ~FFFear_base() {}  
00220   };
00221 
00223 
00224   template<class T1, class T2> class Skeleton_base {
00225   public:
00227 
00239     virtual bool operator() ( Xmap<T1>& xskl, const Xmap<T2>& xmap ) const = 0;
00240     virtual ~Skeleton_base() {}  
00241   };
00242 
00244 
00245   template<class T> class OriginMatch_base {
00246   public:
00248 
00255     virtual bool operator() ( bool& invert, Coord_frac& shift, const HKL_data<datatypes::F_phi<T> >& fphi1, const HKL_data<datatypes::F_phi<T> >& fphi2 ) const = 0;
00256     virtual ~OriginMatch_base() {}  
00257   };
00258 
00259 } // namespace clipper
00260 
00261 #endif

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