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SVN archive Commit Log


Commit Date  
[r5516] by bugman

Made the structural API method atom_loop() much more flexible.

Each part of the tuple of atomic information can be individually selected to be yielded, and the
element name is now also returned.

2008-04-10 09:05:05 Tree
[r5515] by bugman

Bug fix for the calling of terminate().

This is now an object method which is part of the structural data API, rather than a module
function.

2008-04-09 15:28:23 Tree
[r5514] by bugman

Added the missing import of Internal_PDB.

2008-04-09 15:27:03 Tree
[r5513] by bugman

Replaced all references to 'atomic_data' with 'structure'.

2008-04-09 15:25:29 Tree
[r5512] by bugman

Removed a reference to atomic_data in a docstring.

2008-04-09 15:24:26 Tree
[r5511] by bugman

Replaced the initialisation of the atomic_data dictionary with an instance of Internal_PDB.

2008-04-09 15:22:32 Tree
[r5510] by bugman

Added a package docstring.

2008-04-09 15:16:40 Tree
[r5509] by bugman

Reverted r5501, as the behaviour of the tested code has been reverted to the original.

The command used was:
svn merge -r5501:5500 .

2008-04-09 15:13:10 Tree
[r5508] by bugman

Fixes for the deletion of the exists_xxx() functions.

These have been replaced by calls to the is_empty() data object methods.

2008-04-09 15:07:24 Tree
[r5507] by bugman

Deleted the exists_mol_data(), exists_res_data(), and exists_spin_data() functions.

These are now redundant because of the is_empty() methods of the mol-res-spin data object stack.

2008-04-09 15:04:22 Tree
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