Clipper
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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 00034 //L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 00035 //L Lesser General Public License for more details. 00036 //L 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 00041 //L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, 00042 //L MA 02111-1307 USA 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