Hi Troels,

This code will not work on Python 3.  To make sure something will run,
try the command:

$ 2to3 -j 4 -w \
-f buffer \
-f idioms \
-f set_literal \
-f ws_comma \
-x except \
-x import \
-x imports \
-x long \
-x numliterals \
-x xrange \
specific_analyses/relax_disp/optimisation.py

This is from the docs/2to3_checklist document.  The value of j can be
anything up to the number of CPUs and CPU cores + 1.  This command
will change the file and you can then commit it.  Here is a commit
example: http://article.gmane.org/gmane.science.nmr.relax.scm/20556.

Regards,

Edward



On 25 April 2014 19:15,  <[email protected]> wrote:
> Author: tlinnet
> Date: Fri Apr 25 19:15:29 2014
> New Revision: 22860
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22860&view=rev
> Log:
> Fix for skipping grid search, when set parameter values are of dict() type.
>
> Feature request: #3151, (https://gna.org/support/index.php?3151) - User 
> function to set the R20 parameters in the default grid search using the 
> minimum R2eff value.
>
> Modified:
>     trunk/specific_analyses/relax_disp/optimisation.py
>
> Modified: trunk/specific_analyses/relax_disp/optimisation.py
> URL: 
> http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/optimisation.py?rev=22860&r1=22859&r2=22860&view=diff
> ==============================================================================
> --- trunk/specific_analyses/relax_disp/optimisation.py  (original)
> +++ trunk/specific_analyses/relax_disp/optimisation.py  Fri Apr 25 19:15:29 
> 2014
> @@ -394,6 +394,18 @@
>                  inc[param_index] = 1
>                  lower[param_index] = val
>                  upper[param_index] = val
> +
> +            # Test if the value is a dict, for example for r2.
> +            if type(val) == dict:
> +                    val_dic = val[r20_key]
> +                    if is_float(val_dic) and val_dic != 0.0:
> +                        # Printout.
> +                        print("The spin '%s' parameter %s '%s[%i]' is 
> pre-set to %s, skipping it in the grid search." % (spin_ids[si], r20_key, 
> param_name, param_index, val_dic))
> +
> +                        # Turn of the grid search for this parameter.
> +                        inc[param_index] = 1
> +                        lower[param_index] = val_dic
> +                        upper[param_index] = val_dic
>
>      # The full grid size.
>      grid_size = 1
>
>
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>
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