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SVN archive Commit Log


Commit Date  
[r19409] by bugman

Restored the default behaviour of the spin_loop().

The skip_desel flag is now functional and defaults to False.

2013-04-09 19:53:41 Tree
[r19408] by bugman

Fix for the analysis specific API common _return_value_general() method.

The value of None is now handled properly when a simulation value is asked for.

2013-04-09 16:54:26 Tree
[r19407] by bugman

Fix for the new pipe_control.mol_res_spin.count_max_spins_per_residue() function.

The data pipe container was missing.

2013-04-09 16:21:18 Tree
[r19406] by bugman

Added the skip_desel flag to the important pipe_control.mol_res_spin.spin_loop() generator function.

This is used to skip deselected spins within the loop. As must of the code in relax using the
spin_loop() does this anyway, this can be used to simplify many of the spin looping elements in
relax.

2013-04-09 13:40:58 Tree
[r19405] by bugman

Updated the pipe_control.plotting.determine_functions() function.

2013-04-08 14:55:19 Tree
[r19404] by bugman

Fixes for the change of the grace.write user function data type 'spin' to 'res_num'.

2013-04-08 14:49:17 Tree
[r19403] by bugman

Created the pipe_control.mol_res_spin.count_max_spins_per_residue() function.

This will be used by the plotting module to determine if more than one spin per residue exists.

2013-04-08 14:46:14 Tree
[r19402] by bugman

The grace.write user function data type argument sequence values have changed.

Instead of 'spin', this can now be 'res_num' or 'spin_num' to specify that either the residue number
or spin number should be plotted on the desired axis. The x_data_type now defaults to 'res_num'.

2013-04-08 14:45:13 Tree
[r19401] by bugman

Created the pipe_control.plotting module.

This will be used as a base for the plotting of all types of data. This includes the current OpenDX
and Grace modules, as well as future modules. The determine_functions() function has been added and
is used to simplify the pipe_control.grace.get_data() function.

2013-04-08 13:07:50 Tree
[r19400] by bugman

Merged revisions 19399 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r19399 | bugman | 2013-04-05 19:57:42 +0200 (Fri, 05 Apr 2013) | 7 lines

The common spin methods of the specific analysis API now ignore parameters not in the model.

This affects the _data_init_spin(), _sim_init_values_spin(), and _sim_return_param_spin() methods.
The result is that the spin containers no longer hold parameter variables set to None for non-model
parameters.
........

2013-04-05 17:58:48 Tree
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