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Commit Date  
[r7302] by bugman

Added support to the internal PDB structural object for determining connected atoms.

This is for when no CONECT records exist. The method __find_bonded_atom() has been renamed to
__bonded_atom(), and the new method __find_bonded_atoms() has been written. This new method
connects all atoms located a certain distance from each other.

2008-09-25 15:52:15 Tree
[r7301] by bugman

Fixed the number arg unit test of spin.number().

2008-09-25 15:01:30 Tree
[r7300] by bugman

Added 2 more unit vector system tests, this time using the internal PDB reader.

2008-09-25 14:59:26 Tree
[r7299] by bugman

Added some more checks in the unit vector system tests.

2008-09-25 14:55:03 Tree
[r7298] by bugman

Allowed the spin number to be reset to None.

2008-09-25 14:50:22 Tree
[r7297] by bugman

Allowed the number arg in the spin.number() user function to be None.

2008-09-25 14:45:26 Tree
[r7296] by bugman

Added another system test for the calculation of unit XH vectors, but with spin numbers removed.

2008-09-25 14:42:37 Tree
[r7295] by bugman

Fixes for the unit vector system test.

2008-09-25 14:39:11 Tree
[r7294] by bugman

Activated the unit vector system test.

2008-09-25 13:57:07 Tree
[r7293] by bugman

Added a simple system test for the calculation of unit XH bond vectors.

2008-09-25 13:48:24 Tree
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