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comparison CADDSuite-1.5/data/OpenBabel/torlib.h @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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14:55c32b55c2c2 15:ac342506cd4e
1 /***************************************************************
2 This file is part of the Open Babel project.
3 This is copyright under the GNU General Public License (GPL)
4 For more information, see <http://openbabel.org/>
5
6 This file contains a binary representation of data tables
7 used by Open Babel. It is used as a fallback if the textual
8 data table is not found at runtime. It is not a normal header.
9 ***************************************************************/
10
11
12 #ifndef OB_TORLIB_H
13 #define OB_TORLIB_H
14
15 namespace OpenBabel
16 {
17 static const char TorsionDefaults[] = {
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392 0x30,0x20,0x31,0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,
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415 0x5D,0x28,0x5B,0x23,0x31,0x5D,0x29,0x5B,0x43,0x44,0x33,0x5D,0x20,0x31,0x20,
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422 0x5E,0x33,0x5D,0x5B,0x43,0x44,0x33,0x5E,0x33,0x5D,0x5B,0x23,0x31,0x5D,0x20,
423 0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,
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431 0x30,0x2E,0x30,0x20,0x31,0x35,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,
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433 0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x0A,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x43,
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437 0x2E,0x30,0x20,0x31,0x35,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,
438 0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,
439 0x2E,0x30,0x0A,0x2A,0x5B,0x43,0x48,0x44,0x33,0x5D,0x5B,0x43,0x48,0x32,0x44,
440 0x32,0x5D,0x2A,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x35,0x30,
441 0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,
442 0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x2D,0x39,0x30,
443 0x2E,0x30,0x20,0x39,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,
444 0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x43,0x28,
445 0x5B,0x43,0x44,0x31,0x5D,0x29,0x5B,0x43,0x44,0x32,0x5D,0x2A,0x20,0x31,0x20,
446 0x32,0x20,0x34,0x20,0x35,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,
447 0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x38,0x30,0x2E,0x30,0x20,0x2D,0x38,
448 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x0A,
449 0x5B,0x43,0x44,0x33,0x5D,0x5B,0x4F,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,
450 0x5B,0x4F,0x44,0x32,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x36,
451 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,
452 0x20,0x31,0x30,0x30,0x2E,0x30,0x20,0x2D,0x31,0x30,0x30,0x2E,0x30,0x0A,0x5B,
453 0x43,0x44,0x31,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,
454 0x2A,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,
455 0x32,0x20,0x33,0x20,0x34,0x20,0x35,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,
456 0x43,0x44,0x31,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,
457 0x2A,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,
458 0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,
459 0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,
460 0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,
461 0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x20,0x32,0x20,0x33,
462 0x20,0x34,0x20,0x35,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x44,0x33,
463 0x5D,0x63,0x4E,0x28,0x7E,0x5B,0x4F,0x44,0x31,0x5D,0x29,0x7E,0x5B,0x4F,0x44,
464 0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x20,
465 0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x5D,0x63,
466 0x4E,0x28,0x7E,0x5B,0x4F,0x44,0x31,0x5D,0x29,0x7E,0x5B,0x4F,0x44,0x31,0x5D,
467 0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,0x2A,0x2A,
468 0x43,0x28,0x46,0x29,0x28,0x46,0x29,0x46,0x20,0x31,0x20,0x32,0x20,0x33,0x20,
469 0x34,0x20,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x5D,0x63,0x43,0x28,0x43,0x6C,0x29,
470 0x28,0x43,0x6C,0x29,0x43,0x6C,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,
471 0x30,0x2E,0x30,0x0A,0x61,0x5B,0x50,0x44,0x33,0x5D,0x28,0x61,0x29,0x2D,0x5B,
472 0x50,0x44,0x33,0x5D,0x28,0x61,0x29,0x61,0x20,0x31,0x20,0x32,0x20,0x34,0x20,
473 0x35,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,
474 0x30,0x2E,0x30,0x0A,0x50,0x50,0x63,0x63,0x20,0x31,0x20,0x32,0x20,0x33,0x20,
475 0x34,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x00};
476
477 } // namespace OpenBabel
478 #endif // OB_TORLIB_H
479