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List:       relax-commits
Subject:    Re: r2505 - /1.2/specific_fns/model_free.py
From:       "Edward d'Auvergne" <edward () domain ! hid>
Date:       2006-06-01 2:34:32
Message-ID: 7f080ed10605311934v5f8c9ecm3a18bc8727002287 () domain ! hid
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That killed the bug!  I wonder how many other latent bugs are due to
the structure of 'self.relax.data' combined with 'self.run'?  I just
have to come up with solutions to and then close off bugs #5746
(https://gna.org/bugs/?func=detailitem&item_id=5746) and #5806
(https://gna.org/bugs/?func=detailitem&item_id=5806) and relax should
be almost 100% bug free (well the current 1.2 line anyway).

The future change of 'self.relax.data' is likely to require heavy use
of the bug tracker.  So will the planned translation of the Python
model-free maths code to C and the possible MPI implementation.  These
won't happen for a while though.  That is unless someone wants to jump
in and take on one of the massive tasks.  The data structure change
and translation to C I'll probably tackle in a few months after my
thesis is finished.

Edward


On 5/31/06, c.a.macraild@domain.hid <c.a.macraild@domain.hid> wrote:
> Author: macraild
> Date: Wed May 31 10:56:06 2006
> New Revision: 2505
>
> URL: http://svn.gna.org/viewcvs/relax?rev=2505&view=rev
> Log:
> Fix of bug where self.relax.data.select_sim was treated as a list
>
> See bug #5977 and followup discussion on the relax_devel list:
> https://gna.org/bugs/?func=detailitem&item_id=5977
> https://mail.gna.org/public/relax-devel/2006-05/msg00007.html
>
>
> Modified:
>     1.2/specific_fns/model_free.py
>
> Modified: 1.2/specific_fns/model_free.py
> URL: http://svn.gna.org/viewcvs/relax/1.2/specific_fns/model_free.py?rev=2505&r1=2504&r2=2505&view=diff
> ==============================================================================
> --- 1.2/specific_fns/model_free.py (original)
> +++ 1.2/specific_fns/model_free.py Wed May 31 10:56:06 2006
> @@ -4130,7 +4130,9 @@
>
>          # Single instance.
>          if self.param_set == 'all' or self.param_set == 'diff':
> -            self.relax.data.select_sim = select_sim
> +            if not hasattr(self.relax.data, 'select_sim'):
> +                self.relax.data.select_sim = {}
> +            self.relax.data.select_sim[self.run] = select_sim
>
>          # Multiple instances.
>          else:
> @@ -4499,7 +4501,7 @@
>
>              # Multiple instances.
>              else:
> -                self.relax.data.select_sim[sim_index] = 0
> +                self.relax.data.select_sim[self.run][sim_index] = 0
>
>          # Residue unselect.
>          else:
> @@ -5008,7 +5010,7 @@
>
>                      # Selected simulation.
>                      if self.param_set == 'diff' or self.param_set == 'all':
> -                        select_sim = self.relax.data.select_sim[i]
> +                        select_sim = self.relax.data.select_sim[self.run][i]
>                      else:
>                          select_sim = data.select_sim[i]
>
>
>
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