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
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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
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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
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35 //L Lesser General Public License for more details.
36 //L
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38 //L Lesser General Public License along with this library; if not, write
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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 
50 namespace 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 { int sghash; const char* hall; const char* hm; char ext; int num; };
60  // Laue group data record
61  struct LGdata { 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