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SVN archive Commit Log


Commit Date  
[r19152] by bugman

Restored the selection object __contains_spin_id() method as contains_spin_id().

This will allow for faster checks for matches to spin ID strings.

2013-03-24 21:17:25 Tree
[r19151] by bugman

Fix for the pipe_control.relax_data.pack_data() function for the selection object changes.

2013-03-24 21:06:21 Tree
[r19150] by bugman

Fixes for the cone PDB representation.

2013-03-24 20:55:58 Tree
[r19149] by bugman

Fixes for the interatomic_loop() function for the selection object changes.

2013-03-24 20:49:57 Tree
[r19148] by bugman

Removed the parser argument from structure.read_pdb in the stereochemistry auto-analysis.

2013-03-24 20:25:12 Tree
[r19147] by bugman

More removals of the now dead parser argument for the structure.read_pdb user function.

2013-03-24 20:23:46 Tree
[r19146] by bugman

Fix for the select.domain user function backend for the changes to the selection object.

2013-03-24 20:21:45 Tree
[r19145] by bugman

Shifted the diffusion tensor structural object code to lib.structure.represent.diffusion_tensor.

The user function routes to pipe_control.structure.main.create_diff_tensor_pdb(), which pulls the
tensor info out of the data store, and then calls the diffusion_tensor() function of
lib.structure.represent.diffusion_tensor to create the representation, writes out a PDB file, and
finally adds the file to the data pipe's results file list.

2013-03-24 19:57:55 Tree
[r19144] by bugman

Fixed some name classes in the namespace of pipe_control.structure.mass.

2013-03-24 19:33:09 Tree
[r19143] by bugman

Shifted the cone geometric object representation functions to lib.structure.represent.cone.

The structure.create_cone_pdb user function first calls pipe_control.structure.main.create_cone_pdb()
which then calls lib.structure.represent.cone.cone(). This allows the pipe_control function to
write out the file and add it to the data pipe's results file list.

2013-03-24 18:38:30 Tree
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