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 00012 //L produce a work containing portions of the Library, and distribute 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 00025 //L with the GNU General Public Licence (GPL). If you wish to negotiate 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 00031 //L later version. 00032 //L 00033 //L This library is distributed in the hope that it will be useful, but 00034 //L WITHOUT ANY WARRANTY; without even the implied warranty of 00035 //L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 00036 //L Lesser General Public License for more details. 00037 //L 00038 //L You should have received a copy of the CCP4 licence and/or GNU 00039 //L Lesser General Public License along with this library; if not, write 00040 //L to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. 00041 //L The GNU Lesser General Public can also be obtained by writing to the 00042 //L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, 00043 //L MA 02111-1307 USA 00044 00045 00046 #ifndef CLIPPER_EDCALC 00047 #define CLIPPER_EDCALC 00048 00049 00050 #include "function_object_bases.h" 00051 00052 00053 namespace clipper { 00054 00055 00057 00060 template<class T> class EDcalc_mask : public EDcalc_base<T> { 00061 public: 00062 EDcalc_mask( const ftype radius = 2.5 ) : radius_(radius) {} 00063 bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const; 00064 bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const; 00065 private: 00066 const ftype radius_; 00067 }; 00068 00069 00071 00072 template<class T> class EDcalc_iso : public EDcalc_base<T> { 00073 public: 00074 EDcalc_iso( const ftype radius = 2.5 ) : radius_(radius) {} 00075 bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const; 00076 bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const; 00077 private: 00078 const ftype radius_; 00079 }; 00080 00081 00083 00084 template<class T> class EDcalc_aniso : public EDcalc_base<T> { 00085 public: 00086 EDcalc_aniso( const ftype radius = 2.5 ) : radius_(radius) {} 00087 bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const; 00088 bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const; 00089 private: 00090 const ftype radius_; 00091 }; 00092 00093 00094 } // namespace clipper 00095 00096 #endif