00001 00004 //c Copyright (C) 2006 Jon A. Christopher, 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_CNS_MAP_IO 00046 #define CLIPPER_CNS_MAP_IO 00047 00048 00049 #include "../core/container_map.h" 00050 00051 00052 namespace clipper 00053 { 00054 00056 00059 class CNSMAPfile 00060 { 00061 public: 00063 CNSMAPfile(unsigned int sg_num=1); 00065 CNSMAPfile( Spacegroup spacegroup ); 00067 ~CNSMAPfile(); 00068 00070 void open_read( const String filename_in ); 00072 void close_read(); 00074 void open_write( const String filename_out ); 00076 void close_write(); 00077 00079 void set_cell( const Cell& cell ); 00080 00082 const Spacegroup& spacegroup() const; 00084 const Cell& cell() const; 00086 const Grid_sampling& grid_sampling() const; 00088 template<class T> void import_xmap( Xmap<T>& xmap ); 00090 template<class T> void export_xmap( const Xmap<T>& xmap ); 00092 template<class T> void import_nxmap( NXmap<T>& nxmap ); 00094 template<class T> void export_nxmap( const NXmap<T>& nxmap ); 00095 00096 protected: 00097 enum MAPmode { NONE, READ, WRITE }; 00098 String filename; 00099 MAPmode mode; 00100 00101 // header info 00102 Spacegroup spacegroup_; 00103 Cell cell_; 00104 Grid_sampling grid_sam_; 00105 Grid_range grid_map_; 00106 }; 00107 00108 00109 } // namespace clipper 00110 00111 #endif