Mercurial > repos > marcel > caddsuite_linux_x86_64

diff CADDSuite-1.0.1/data/OpenBabel/torlib.h @ 9:2cff9609f2c7

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author marcel
date Tue, 15 Nov 2011 10:40:26 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0.1/data/OpenBabel/torlib.h	Tue Nov 15 10:40:26 2011 -0500
@@ -0,0 +1,479 @@
+/***************************************************************
+This file is part of the Open Babel project.
+This is copyright under the GNU General Public License (GPL)
+For more information, see <http://openbabel.org/>
+
+This file contains a binary representation of data tables
+ used by Open Babel. It is used as a fallback if the textual
+ data table is not found at runtime. It is not a normal header.
+***************************************************************/
+
+
+#ifndef OB_TORLIB_H
+#define OB_TORLIB_H
+
+namespace OpenBabel
+{
+static const char TorsionDefaults[] = {
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+ 0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x36,
+ 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,0x4F,0x5B,
+ 0x43,0x44,0x34,0x5D,0x2A,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x35,0x20,0x2D,
+ 0x36,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,0x2E,0x30,
+ 0x20,0x38,0x30,0x2E,0x30,0x20,0x2D,0x38,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,
+ 0x4F,0x5B,0x43,0x44,0x33,0x2C,0x43,0x44,0x34,0x5D,0x20,0x31,0x20,0x32,0x20,
+ 0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,
+ 0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,
+ 0x4F,0x3D,0x43,0x4F,0x2A,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,
+ 0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,0x36,
+ 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,0x5B,0x4E,
+ 0x44,0x33,0x5D,0x28,0x5B,0x2A,0x44,0x33,0x5D,0x29,0x5B,0x2A,0x44,0x33,0x5D,
+ 0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x32,0x30,0x2E,0x30,0x20,0x2D,
+ 0x32,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x20,0x31,0x35,
+ 0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x0A,0x4F,0x3D,0x43,0x5B,
+ 0x4E,0x44,0x33,0x5D,0x2A,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,
+ 0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x43,0x43,0x5B,0x4E,0x44,0x33,
+ 0x5D,0x28,0x43,0x43,0x29,0x5B,0x43,0x44,0x32,0x2C,0x43,0x44,0x33,0x5D,0x2A,
+ 0x20,0x32,0x20,0x33,0x20,0x36,0x20,0x37,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,
+ 0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,0x2E,
+ 0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x30,0x2E,0x30,0x20,0x31,0x38,
+ 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x0A,
+ 0x5B,0x61,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x4E,
+ 0x44,0x33,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x39,0x30,0x2E,
+ 0x30,0x20,0x2D,0x39,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x36,
+ 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x5B,0x4E,0x44,0x33,0x5D,
+ 0x43,0x28,0x3D,0x4F,0x29,0x5B,0x6E,0x44,0x33,0x5D,0x2A,0x20,0x31,0x20,0x32,
+ 0x20,0x34,0x20,0x35,0x20,0x39,0x30,0x2E,0x30,0x20,0x2D,0x39,0x30,0x2E,0x30,
+ 0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,
+ 0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x32,0x5D,
+ 0x4F,0x43,0x28,0x3D,0x4F,0x29,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x44,0x33,
+ 0x5D,0x20,0x34,0x20,0x33,0x20,0x35,0x20,0x36,0x20,0x30,0x2E,0x30,0x20,0x31,
+ 0x35,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x0A,0x43,0x28,0x5B,
+ 0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x43,
+ 0x44,0x31,0x5D,0x29,0x63,0x5B,0x61,0x5D,0x20,0x32,0x20,0x31,0x20,0x35,0x20,
+ 0x36,0x20,0x39,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x0A,0x2A,0x2A,0x43,
+ 0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x5B,
+ 0x43,0x44,0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x38,
+ 0x30,0x2E,0x30,0x20,0x31,0x35,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,
+ 0x43,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,0x28,0x5B,0x23,0x31,0x5D,0x29,0x5B,
+ 0x43,0x44,0x32,0x5D,0x2A,0x20,0x34,0x20,0x32,0x20,0x35,0x20,0x36,0x20,0x36,
+ 0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x2A,0x5B,0x43,0x44,0x32,
+ 0x58,0x34,0x5D,0x5B,0x43,0x44,0x33,0x58,0x34,0x5D,0x28,0x5B,0x23,0x31,0x5D,
+ 0x29,0x5B,0x43,0x44,0x33,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,
+ 0x31,0x38,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,
+ 0x30,0x20,0x34,0x30,0x2E,0x30,0x20,0x2D,0x34,0x30,0x2E,0x30,0x0A,0x63,0x5B,
+ 0x43,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x43,0x44,0x33,0x5E,0x33,0x5D,0x5B,0x23,
+ 0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x38,0x30,0x2E,
+ 0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x5B,0x43,
+ 0x44,0x32,0x5E,0x33,0x5D,0x5B,0x43,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x43,0x44,
+ 0x33,0x5E,0x33,0x5D,0x5B,0x23,0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,
+ 0x34,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,
+ 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,
+ 0x30,0x2E,0x30,0x20,0x31,0x36,0x30,0x2E,0x30,0x20,0x2D,0x31,0x36,0x30,0x2E,
+ 0x30,0x20,0x31,0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x0A,
+ 0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x52,0x48,0x5D,
+ 0x28,0x5B,0x2A,0x52,0x5D,0x29,0x5B,0x2A,0x52,0x5D,0x20,0x31,0x20,0x32,0x20,
+ 0x33,0x20,0x34,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,
+ 0x31,0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x31,0x35,
+ 0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,
+ 0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x30,0x2E,
+ 0x30,0x0A,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x43,0x58,
+ 0x34,0x44,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,
+ 0x20,0x34,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20,0x31,
+ 0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x31,0x35,0x30,
+ 0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,
+ 0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x2A,0x5B,0x43,
+ 0x48,0x44,0x33,0x5D,0x5B,0x43,0x48,0x32,0x44,0x32,0x5D,0x2A,0x20,0x31,0x20,
+ 0x32,0x20,0x33,0x20,0x34,0x20,0x31,0x35,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,
+ 0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,
+ 0x31,0x38,0x30,0x2E,0x30,0x20,0x2D,0x39,0x30,0x2E,0x30,0x20,0x39,0x30,0x2E,
+ 0x30,0x20,0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,
+ 0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x43,0x28,0x5B,0x43,0x44,0x31,0x5D,0x29,
+ 0x5B,0x43,0x44,0x32,0x5D,0x2A,0x20,0x31,0x20,0x32,0x20,0x34,0x20,0x35,0x20,
+ 0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,
+ 0x30,0x20,0x38,0x30,0x2E,0x30,0x20,0x2D,0x38,0x30,0x2E,0x30,0x20,0x33,0x30,
+ 0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x33,0x5D,0x5B,
+ 0x4F,0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x4F,0x44,0x32,0x5D,0x20,
+ 0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,
+ 0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x31,0x30,0x30,0x2E,0x30,
+ 0x20,0x2D,0x31,0x30,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x5B,0x43,
+ 0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x2A,
+ 0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,0x32,0x20,0x33,0x20,0x34,0x20,
+ 0x35,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,0x43,0x44,0x31,0x5D,0x5B,0x43,
+ 0x44,0x32,0x5D,0x5B,0x43,0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x5B,0x2A,
+ 0x44,0x32,0x5D,0x5B,0x2A,0x44,0x32,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,0x20,
+ 0x34,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,
+ 0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,
+ 0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,0x44,0x32,0x5E,0x33,0x5D,0x5B,0x2A,
+ 0x44,0x32,0x5E,0x33,0x5D,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x35,0x20,0x31,
+ 0x38,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x44,0x33,0x5D,0x63,0x4E,0x28,0x7E,0x5B,
+ 0x4F,0x44,0x31,0x5D,0x29,0x7E,0x5B,0x4F,0x44,0x31,0x5D,0x20,0x31,0x20,0x32,
+ 0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,
+ 0x36,0x30,0x2E,0x30,0x0A,0x5B,0x61,0x5D,0x63,0x4E,0x28,0x7E,0x5B,0x4F,0x44,
+ 0x31,0x5D,0x29,0x7E,0x5B,0x4F,0x44,0x31,0x5D,0x20,0x31,0x20,0x32,0x20,0x33,
+ 0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,0x2A,0x2A,0x43,0x28,0x46,0x29,0x28,0x46,
+ 0x29,0x46,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,
+ 0x5B,0x61,0x5D,0x63,0x43,0x28,0x43,0x6C,0x29,0x28,0x43,0x6C,0x29,0x43,0x6C,
+ 0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x30,0x2E,0x30,0x0A,0x61,0x5B,
+ 0x50,0x44,0x33,0x5D,0x28,0x61,0x29,0x2D,0x5B,0x50,0x44,0x33,0x5D,0x28,0x61,
+ 0x29,0x61,0x20,0x31,0x20,0x32,0x20,0x34,0x20,0x35,0x20,0x31,0x38,0x30,0x2E,
+ 0x30,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x50,0x50,
+ 0x63,0x63,0x20,0x31,0x20,0x32,0x20,0x33,0x20,0x34,0x20,0x36,0x30,0x2E,0x30,
+ 0x20,0x2D,0x36,0x30,0x2E,0x30,0x0A,0x00};
+
+} // namespace OpenBabel
+#endif // OB_TORLIB_H
+