Clipper
symop.h
00001 
00004 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
00005 //L
00006 //L  This library is free software and is distributed under the terms
00007 //L  and conditions of version 2.1 of the GNU Lesser General Public
00008 //L  Licence (LGPL) with the following additional clause:
00009 //L
00010 //L     `You may also combine or link a "work that uses the Library" to
00011 //L     produce a work containing portions of the Library, and distribute
00012 //L     that work under terms of your choice, provided that you give
00013 //L     prominent notice with each copy of the work that the specified
00014 //L     version of the Library is used in it, and that you include or
00015 //L     provide public access to the complete corresponding
00016 //L     machine-readable source code for the Library including whatever
00017 //L     changes were used in the work. (i.e. If you make changes to the
00018 //L     Library you must distribute those, but you do not need to
00019 //L     distribute source or object code to those portions of the work
00020 //L     not covered by this licence.)'
00021 //L
00022 //L  Note that this clause grants an additional right and does not impose
00023 //L  any additional restriction, and so does not affect compatibility
00024 //L  with the GNU General Public Licence (GPL). If you wish to negotiate
00025 //L  other terms, please contact the maintainer.
00026 //L
00027 //L  You can redistribute it and/or modify the library under the terms of
00028 //L  the GNU Lesser General Public License as published by the Free Software
00029 //L  Foundation; either version 2.1 of the License, or (at your option) any
00030 //L  later version.
00031 //L
00032 //L  This library is distributed in the hope that it will be useful, but
00033 //L  WITHOUT ANY WARRANTY; without even the implied warranty of
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00035 //L  Lesser General Public License for more details.
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00037 //L  You should have received a copy of the CCP4 licence and/or GNU
00038 //L  Lesser General Public License along with this library; if not, write
00039 //L  to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
00040 //L  The GNU Lesser General Public can also be obtained by writing to the
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00043 
00044 
00045 #ifndef CLIPPER_SYMOP
00046 #define CLIPPER_SYMOP
00047 
00048 
00049 #include "clipper_types.h"
00050 
00051 
00052 namespace clipper
00053 {
00054   // forward definitions
00055   class Cell;
00056   class Grid;
00057   class RTop_orth;
00058 
00059 
00061 
00064   class RTop_frac : public RTop<>
00065   {
00066   public:
00068     inline RTop_frac() {}
00070     inline explicit RTop_frac( const RTop<>& o ) : RTop<>( o ) {}
00072     inline explicit RTop_frac( const Mat33<>& r ) : RTop<>( r ) {}
00074     explicit RTop_frac( const String& strop );
00076     inline RTop_frac( const Mat33<>& r, const Vec3<>& t ) : RTop<>( r, t ) {}
00078     RTop_orth rtop_orth( const Cell& cell ) const;
00080     RTop_frac inverse() const;
00082     static RTop_frac identity();
00084     static RTop_frac null();
00085   };
00086 
00087 
00089 
00092   class Symop : public RTop_frac
00093   {
00094   public:
00096     inline Symop() {}
00098     explicit Symop( const RTop<>& rt );
00100     explicit Symop( const ftype mat[4][4] );
00102     String format() const;
00103   };
00104 
00105 
00107 
00108   class Isymop : public RTop<int>
00109   {
00110   public:
00112     inline Isymop() {}
00114     inline explicit Isymop( const RTop<int>& rt ) : RTop<int>(rt) {}
00116     Isymop( const Symop& symop, const Grid& grid );
00117   };
00118 
00119 
00121 
00131   class Symop_code
00132   {
00133   public:
00135     inline Symop_code() {}
00137     inline explicit Symop_code( const int& code ) : code_(code) {}
00139     explicit Symop_code( const Symop& op );
00141     explicit Symop_code( const Isymop& op );
00143     void init( const Isymop& op );
00144     Symop_code code_rot() const;  
00145     Symop_code code_trn() const;  
00146     Symop symop() const;          
00147     Isymop isymop() const;        
00148     static Symop_code identity() { return Symop_code(0); } 
00149 
00150     inline operator int() const { return code_; }
00151   private:
00152     int code_;
00153   };
00154 
00155 
00156 } // namespace clipper
00157 
00158 #endif