Clipper
spacegroup_data.h
00001 /* file lib/spacegroup_data.h
00002     Header file for spacegroup data tables
00003 */
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 /* some code & data converted from CCP4 library symlib.f (various authors) */
00044 
00045 
00046 #ifndef CLIPPER_SPACEGROUP_DATA
00047 #define CLIPPER_SPACEGROUP_DATA
00048 
00049 
00050 namespace clipper
00051 {
00052 
00053   // data namespace
00054   namespace data {
00055 
00056     // ASU function pointer
00057     typedef bool (*ASUfn)( const int&, const int&, const int& );
00058     // Spacegroup data record
00059     struct SGdata { int sghash; const char* hall; const char* hm; char ext; int num; };
00060     // Laue group data record
00061     struct LGdata { int lghash; ASUfn asufn; const char* lgname; };
00062 
00063     // data tables
00064     extern LGdata lgdata[];
00065     extern int lgdata_size;
00066     extern SGdata sgdata[];
00067     extern int sgdata_size;
00068 
00069   }  // namespace data
00070 
00071 
00072 } // namespace clipper
00073 
00074 #endif