/*! \file skeleton.h Header file for sample skeletonisation impelementation \ingroup g_skel */ //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_SKELETON #define CLIPPER_SKELETON #include "function_object_bases.h" namespace clipper { //! Simple skeletonisation implementation /*! \ingroup g_skel */ class Skeleton_basic : public Skeleton_base { public: // helper classes class Neighbours { public: Neighbours( const clipper::Xmap_base &map, const float min_dist = 0.5, const float max_dist = 2.5 ); clipper::Coord_grid operator[] (int i) const { return nlist[i]; } int size() const { return nlist.size(); } private: std::vector nlist; }; class NCube { public: NCube( const int& n ); const int& operator[] ( const clipper::Coord_grid& c ) const { return data[m.index(c)]; } int& operator[] ( const clipper::Coord_grid& c ) { return data[m.index(c)]; } const clipper::Grid_range& grid() const { return m; } private: clipper::Grid_range m; std::vector data; }; // methods //! constructor Skeleton_basic( const int box = 1 ) : box_(box) {} //! constructor: shorthand for constructor+operator Skeleton_basic( clipper::Xmap& xskl, const clipper::Xmap& xmap, const int box = 1 ) : box_(box) { (*this)( xskl, xmap ); } //! Skeletonise a map bool operator() ( clipper::Xmap& xskl, const clipper::Xmap& xmap ) const; private: static bool isInSkel( const clipper::Xmap& xskl, const clipper::Coord_grid& c, const Skeleton_basic::Neighbours& neigh, const int& box ); int box_; }; //! Fast template skeletonisation implementation /*! \ingroup g_skel */ template class Skeleton_fast : public Skeleton_base { public: // helper classes class Neighbours { public: Neighbours() {} Neighbours( const clipper::Xmap_base &map, const float min_dist = 0.5, const float max_dist = 2.5 ); clipper::Coord_grid operator[] (int i) const { return nlist[i]; } int size() const { return nlist.size(); } private: std::vector nlist; }; // methods //! constructor Skeleton_fast() {} //! constructor: shorthand for constructor+operator Skeleton_fast( clipper::Xmap& xskl, const clipper::Xmap& xmap ) { (*this)( xskl, xmap ); } //! Skeletonise a map bool operator() ( clipper::Xmap& xskl, const clipper::Xmap& xmap ) const; private: mutable int cube[3][3][3]; mutable Neighbours neigh; bool isInSkel( const clipper::Xmap& xskl, const clipper::Coord_grid& c ) const; void flood_cube( const int x, const int y, const int z ) const; }; } // namespace clipper #endif