Clipper
spacegroup_data.h
1/* file lib/spacegroup_data.h
2 Header file for spacegroup data tables
3*/
4//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
5//L
6//L This library is free software and is distributed under the terms
7//L and conditions of version 2.1 of the GNU Lesser General Public
8//L Licence (LGPL) with the following additional clause:
9//L
10//L `You may also combine or link a "work that uses the Library" to
11//L produce a work containing portions of the Library, and distribute
12//L that work under terms of your choice, provided that you give
13//L prominent notice with each copy of the work that the specified
14//L version of the Library is used in it, and that you include or
15//L provide public access to the complete corresponding
16//L machine-readable source code for the Library including whatever
17//L changes were used in the work. (i.e. If you make changes to the
18//L Library you must distribute those, but you do not need to
19//L distribute source or object code to those portions of the work
20//L not covered by this licence.)'
21//L
22//L Note that this clause grants an additional right and does not impose
23//L any additional restriction, and so does not affect compatibility
24//L with the GNU General Public Licence (GPL). If you wish to negotiate
25//L other terms, please contact the maintainer.
26//L
27//L You can redistribute it and/or modify the library under the terms of
28//L the GNU Lesser General Public License as published by the Free Software
29//L Foundation; either version 2.1 of the License, or (at your option) any
30//L later version.
31//L
32//L This library is distributed in the hope that it will be useful, but
33//L WITHOUT ANY WARRANTY; without even the implied warranty of
34//L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
35//L Lesser General Public License for more details.
36//L
37//L You should have received a copy of the CCP4 licence and/or GNU
38//L Lesser General Public License along with this library; if not, write
39//L to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
40//L The GNU Lesser General Public can also be obtained by writing to the
41//L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston,
42//L MA 02111-1307 USA
43/* some code & data converted from CCP4 library symlib.f (various authors) */
44
45
46#ifndef CLIPPER_SPACEGROUP_DATA
47#define CLIPPER_SPACEGROUP_DATA
48
49
50namespace clipper
51{
52
53 // data namespace
54 namespace data {
55
56 // ASU function pointer
57 typedef bool (*ASUfn)( const int&, const int&, const int& );
58 // Spacegroup data record
59 struct SGdata { unsigned int sghash; const char* hall; const char* hm; char ext; int num; };
60 // Laue group data record
61 struct LGdata { unsigned int lghash; ASUfn asufn; const char* lgname; };
62
63 // data tables
64 extern LGdata lgdata[];
65 extern int lgdata_size;
66 extern SGdata sgdata[];
67 extern int sgdata_size;
68
69 } // namespace data
70
71
72} // namespace clipper
73
74#endif
Definition spacegroup_data.h:61
Definition spacegroup_data.h:59