/*! \file fffear.h Header file for sample fffear impelementation \ingroup g_fffear */ //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_FFFEAR #define CLIPPER_FFFEAR #include "function_object_bases.h" namespace clipper { //! Simple fffear implementation /*! \deprecated This is for testing purposes only, as it is very slow. The search target and weights are not handled generally in this implementation: The NXmaps are assumed to have a grid matching the map grid with the origin at the centre. */ class FFFear_slow_basic { public: //! constructor FFFear_slow_basic( const Xmap& xmap ) : xmp( &xmap ) {} //! constructor: shorthand for constructor+operator FFFear_slow_basic( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const Xmap& xmap ) : xmp( &xmap ) { (*this)( result, srchval, srchwgt ); } bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt ) const; private: const Xmap* xmp; }; //! FFT-based fffear implementation /*! \deprecated This implementation is currently unoptimised, but much faster then the simple implementation. The search target and weights are not handled generally in this implementation: The NXmaps are assumed to have a grid matching the map grid with the origin at the centre. */ class FFFear_fft_basic { public: //! constructor FFFear_fft_basic( const Xmap& xmap ) { init( xmap ); } //! constructor: shorthand for constructor+operator FFFear_fft_basic( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const Xmap& xmap ) { init( xmap ); (*this)( result, srchval, srchwgt ); } //! initialiser: initialise with the given target Xmap void init( const Xmap& xmap ); bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt ) const; private: ftype vol; FFTmap_p1 rho1; FFTmap_p1 rho2; }; //! FFT-based fffear implementation /*! \ingroup g_fffear This implementation is currently unoptimised, but much faster then the simple implementation. */ template class FFFear_slow : public FFFear_base { public: //! constructor FFFear_slow() {} //! constructor FFFear_slow( const Xmap& xmap ) { init( xmap ); } //! constructor: shorthand for constructor+operator FFFear_slow( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const Xmap& xmap, const NX_operator& nxop ) { init( xmap ); (*this)( result, srchval, srchwgt, nxop ); } //! initialiser: initialise with the given target Xmap void init( const Xmap& xmap ) { xmp = ⟼ } bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const NX_operator& nxop ) const; bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt ) const; //!< \deprecated private: const Xmap* xmp; }; //! FFT-based fffear implementation /*! \ingroup g_fffear This implementation is currently unoptimised, but much faster then the simple implementation. */ template class FFFear_fft : public FFFear_base { public: enum FFTtype { Default, Normal, Sparse }; //!< FFT backend selection //! constructor FFFear_fft() {} //! constructor FFFear_fft( const Xmap& xmap ) { init( xmap ); } //! constructor: shorthand for constructor+operator FFFear_fft( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const Xmap& xmap, const NX_operator& nxop ) { init( xmap ); (*this)( result, srchval, srchwgt, nxop ); } //! initialiser: initialise with the given target Xmap void init( const Xmap& xmap ); void set_fft_type( FFTtype type ); //! option: fft backend void set_resolution( Resolution reso ); //! option: resolution cutoff bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const NX_operator& nxop ) const; //!< search for given target bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt, const RTop_orth& rtop ) const; //!< search for given target bool operator() ( Xmap& result, const NXmap& srchval, const NXmap& srchwgt ) const; //!< \deprecated private: Cell cell; FFTmap_p1 rho1, rho2; FFTtype ffttype; }; } // namespace clipper #endif