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SVN archive Commit Log


Commit Date  
[r6828] by bugman

Fix for the extraction of bond vectors.

When all vectors are asked for, now all vectors are placed into the spin container.

2008-07-08 00:28:37 Tree
[r6827] by bugman

Improved the extracted bond vector print out to show the atom names of the vector.

2008-07-08 00:22:30 Tree
[r6826] by bugman

Brought the Scientific PDB structural object into line with the structural API.

2008-07-08 00:18:10 Tree
[r6825] by bugman

Small print out fix.

2008-07-08 00:09:02 Tree
[r6824] by bugman

Added the missing return_name and return_warnings args to the Scientific PDB bond_vectors() method.

2008-07-08 00:06:29 Tree
[r6823] by bugman

Added the missing return_name and return_warnings args to the structural API bond_vectors() method.

2008-07-08 00:04:51 Tree
[r6822] by bugman

Modified the print out during the extraction of bond vectors.

2008-07-08 00:00:59 Tree
[r6821] by bugman

Fix for the bond_vectors() method - the spin.attached_atom variable is correctly set.

2008-07-07 23:51:56 Tree
[r6820] by bugman

Modified vectors() to use the new data returned by cdp.structure.bond_vectors().

2008-07-07 23:46:47 Tree
[r6819] by bugman

Modified the __find_bonded_atom() and bond_vectors() methods to return more data.

This additional data is the name of the attached atom and any warnings when trying to find the
attached atom.

2008-07-07 23:41:48 Tree
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