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comparison CADDSuite/data/OpenBabel/torlib.h @ 0:bac3c274238f

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Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 16:43:30 -0400
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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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372 0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x36,
373 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,0x4F,0x5B,
374 0x43,0x44,0x34,0x5D,0x2A,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x35,0x20,0x2D,
375 0x36,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,0x2E,0x30,
376 0x20,0x38,0x30,0x2E,0x30,0x20,0x2D,0x38,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,
377 0x4F,0x5B,0x43,0x44,0x33,0x2C,0x43,0x44,0x34,0x5D,0x20,0x31,0x20,0x32,0x20,
378 0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,
379 0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,
380 0x4F,0x3D,0x43,0x4F,0x2A,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,
381 0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,0x36,
382 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,0x5B,0x4E,
383 0x44,0x33,0x5D,0x28,0x5B,0x2A,0x44,0x33,0x5D,0x29,0x5B,0x2A,0x44,0x33,0x5D,
384 0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x32,0x30,0x2E,0x30,0x20,0x2D,
385 0x32,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x20,0x31,0x35,
386 0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,0x5B,
387 0x4E,0x44,0x33,0x5D,0x2A,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,
388 0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x43,0x43,0x5B,0x4E,0x44,0x33,
389 0x5D,0x28,0x43,0x43,0x29,0x5B,0x43,0x44,0x32,0x2C,0x43,0x44,0x33,0x5D,0x2A,
390 0x20,0x32,0x20,0x33,0x20,0x36,0x20,0x37,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,
391 0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,0x2E,
392 0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x31,0x38,
393 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x0A,
394 0x5B,0x61,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x4E,
395 0x44,0x33,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x39,0x30,0x2E,
396 0x30,0x20,0x2D,0x39,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x36,
397 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x5B,0x4E,0x44,0x33,0x5D,
398 0x43,0x28,0x3D,0x4F,0x29,0x5B,0x6E,0x44,0x33,0x5D,0x2A,0x20,0x31,0x20,0x32,
399 0x20,0x34,0x20,0x35,0x20,0x39,0x30,0x2E,0x30,0x20,0x2D,0x39,0x30,0x2E,0x30,
400 0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,
401 0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x32,0x5D,
402 0x4F,0x43,0x28,0x3D,0x4F,0x29,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x44,0x33,
403 0x5D,0x20,0x34,0x20,0x33,0x20,0x35,0x20,0x36,0x20,0x30,0x2E,0x30,0x20,0x31,
404 0x35,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x0A,0x43,0x28,0x5B,
405 0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x43,
406 0x44,0x31,0x5D,0x29,0x63,0x5B,0x61,0x5D,0x20,0x32,0x20,0x31,0x20,0x35,0x20,
407 0x36,0x20,0x39,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x0A,0x2A,0x2A,0x43,
408 0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x5B,
409 0x43,0x44,0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x38,
410 0x30,0x2E,0x30,0x20,0x31,0x35,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,
411 0x43,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x23,0x31,0x5D,0x29,0x5B,
412 0x43,0x44,0x32,0x5D,0x2A,0x20,0x34,0x20,0x32,0x20,0x35,0x20,0x36,0x20,0x36,
413 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x2A,0x5B,0x43,0x44,0x32,
414 0x58,0x34,0x5D,0x5B,0x43,0x44,0x33,0x58,0x34,0x5D,0x28,0x5B,0x23,0x31,0x5D,
415 0x29,0x5B,0x43,0x44,0x33,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,
416 0x31,0x38,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,
417 0x30,0x20,0x34,0x30,0x2E,0x30,0x20,0x2D,0x34,0x30,0x2E,0x30,0x0A,0x63,0x5B,
418 0x43,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x43,0x44,0x33,0x5E,0x33,0x5D,0x5B,0x23,
419 0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x38,0x30,0x2E,
420 0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x5B,0x43,
421 0x44,0x32,0x5E,0x33,0x5D,0x5B,0x43,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x43,0x44,
422 0x33,0x5E,0x33,0x5D,0x5B,0x23,0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,
423 0x34,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,
424 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,
425 0x30,0x2E,0x30,0x20,0x31,0x36,0x30,0x2E,0x30,0x20,0x2D,0x31,0x36,0x30,0x2E,
426 0x30,0x20,0x31,0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x0A,
427 0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x52,0x48,0x5D,
428 0x28,0x5B,0x2A,0x52,0x5D,0x29,0x5B,0x2A,0x52,0x5D,0x20,0x31,0x20,0x32,0x20,
429 0x33,0x20,0x34,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,
430 0x31,0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x31,0x35,
431 0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,
432 0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x30,0x2E,
433 0x30,0x0A,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x58,
434 0x34,0x44,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,
435 0x20,0x34,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,0x31,
436 0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x31,0x35,0x30,
437 0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,
438 0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x2A,0x5B,0x43,
439 0x48,0x44,0x33,0x5D,0x5B,0x43,0x48,0x32,0x44,0x32,0x5D,0x2A,0x20,0x31,0x20,
440 0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x35,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,
441 0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,
442 0x31,0x38,0x30,0x2E,0x30,0x20,0x2D,0x39,0x30,0x2E,0x30,0x20,0x39,0x30,0x2E,
443 0x30,0x20,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,
444 0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x43,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,
445 0x5B,0x43,0x44,0x32,0x5D,0x2A,0x20,0x31,0x20,0x32,0x20,0x34,0x20,0x35,0x20,
446 0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,
447 0x30,0x20,0x38,0x30,0x2E,0x30,0x20,0x2D,0x38,0x30,0x2E,0x30,0x20,0x33,0x30,
448 0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x33,0x5D,0x5B,
449 0x4F,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x4F,0x44,0x32,0x5D,0x20,
450 0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,
451 0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x31,0x30,0x30,0x2E,0x30,
452 0x20,0x2D,0x31,0x30,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x5B,0x43,
453 0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x2A,
454 0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,0x32,0x20,0x33,0x20,0x34,0x20,
455 0x35,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x5B,0x43,
456 0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x2A,
457 0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,
458 0x34,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,
459 0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,
460 0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,
461 0x44,0x32,0x5E,0x33,0x5D,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x35,0x20,0x31,
462 0x38,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x44,0x33,0x5D,0x63,0x4E,0x28,0x7E,0x5B,
463 0x4F,0x44,0x31,0x5D,0x29,0x7E,0x5B,0x4F,0x44,0x31,0x5D,0x20,0x31,0x20,0x32,
464 0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,
465 0x36,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x5D,0x63,0x4E,0x28,0x7E,0x5B,0x4F,0x44,
466 0x31,0x5D,0x29,0x7E,0x5B,0x4F,0x44,0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,
467 0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,0x2A,0x2A,0x43,0x28,0x46,0x29,0x28,0x46,
468 0x29,0x46,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,
469 0x5B,0x61,0x5D,0x63,0x43,0x28,0x43,0x6C,0x29,0x28,0x43,0x6C,0x29,0x43,0x6C,
470 0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,0x61,0x5B,
471 0x50,0x44,0x33,0x5D,0x28,0x61,0x29,0x2D,0x5B,0x50,0x44,0x33,0x5D,0x28,0x61,
472 0x29,0x61,0x20,0x31,0x20,0x32,0x20,0x34,0x20,0x35,0x20,0x31,0x38,0x30,0x2E,
473 0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x50,0x50,
474 0x63,0x63,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x36,0x30,0x2E,0x30,
475 0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x00};
476
477 } // namespace OpenBabel
478 #endif // OB_TORLIB_H
479