/*! \file originmatch.h Header file for origin matching function object */ //C Copyright (C) 2000-2006 Kevin Cowtan and University of York //L //L This library is free software and is distributed under the terms //L and conditions of version 2.1 of the GNU Lesser General Public //L Licence (LGPL) with the following additional clause: //L //L `You may also combine or link a "work that uses the Library" to //L produce a work containing portions of the Library, and distribute //L that work under terms of your choice, provided that you give //L prominent notice with each copy of the work that the specified //L version of the Library is used in it, and that you include or //L provide public access to the complete corresponding //L machine-readable source code for the Library including whatever //L changes were used in the work. (i.e. If you make changes to the //L Library you must distribute those, but you do not need to //L distribute source or object code to those portions of the work //L not covered by this licence.)' //L //L Note that this clause grants an additional right and does not impose //L any additional restriction, and so does not affect compatibility //L with the GNU General Public Licence (GPL). If you wish to negotiate //L other terms, please contact the maintainer. //L //L You can redistribute it and/or modify the library under the terms of //L the GNU Lesser General Public License as published by the Free Software //L Foundation; either version 2.1 of the License, or (at your option) any //L later version. //L //L This library is distributed in the hope that it will be useful, but //L WITHOUT ANY WARRANTY; without even the implied warranty of //L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU //L Lesser General Public License for more details. //L //L You should have received a copy of the CCP4 licence and/or GNU //L Lesser General Public License along with this library; if not, write //L to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. //L The GNU Lesser General Public can also be obtained by writing to the //L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, //L MA 02111-1307 USA #ifndef CLIPPER_ORIGINMATCH #define CLIPPER_ORIGINMATCH #include "function_object_bases.h" namespace clipper { //! Origin matching method using fast translation function. /*! Perform origin matching by performing a fast translation function. Both hands are tested if possible. \ingroup g_funcobj */ template class OriginMatch : public OriginMatch_base { public: //! constructor OriginMatch( const ftype resol_limit = 0.1 ) : limit(resol_limit) {} //! constructor: shorthand for constructor+operator OriginMatch( bool& invert, Coord_frac& shift, const HKL_data >& fphi1, const HKL_data >& fphi2, const ftype resol_limit = 0.1 ) : limit(resol_limit) { (*this)( invert, shift, fphi1, fphi2 ); } bool operator() ( bool& invert, Coord_frac& shift, const HKL_data >& fphi1, const HKL_data >& fphi2 ) const; private: ftype limit; }; } // namespace clipper #endif