Re: r24999 - /branches/R1_fitting/auto_analyses/relax_disp.py -- August 18, 2014 - 18:38

That is a far more robust solution!

Cheers,

Edward


On 12 August 2014 15:23,  <tlinnet@xxxxxxxxxxxxx> wrote:
> Author: tlinnet
> Date: Tue Aug 12 15:23:55 2014
> New Revision: 24999
>
> URL: http://svn.gna.org/viewcvs/relax?rev=24999&view=rev
> Log:
> Implemented partial reading of results file.
>
> Before reading a results file, it is determined if the file exists.
>
> This makes is possible to read a directory with partial results from a 
> previous analysis.
>
> This can be handsome, if reading R2eff values in R1rho experiments, and the 
> error estimation has been
> prepared with a high number of Monte-Carlo simulations.
>
> sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
> rate for the off-resonance R1rho relaxation dispersion models.
>
> Modified:
>     branches/R1_fitting/auto_analyses/relax_disp.py
>
> Modified: branches/R1_fitting/auto_analyses/relax_disp.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/R1_fitting/auto_analyses/relax_disp.py?rev=24999&r1=24998&r2=24999&view=diff
> ==============================================================================
> --- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
> +++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug 12 15:23:55 
> 2014
> @@ -30,7 +30,8 @@
>  from warnings import warn
>
>  # relax module imports.
> -from lib.errors import RelaxError, RelaxNoPipeError
> +from lib.errors import RelaxError, RelaxFileError, RelaxNoPipeError
> +from lib.io import determine_compression, get_file_path
>  from lib.text.sectioning import section, subsection, subtitle, title
>  from lib.warnings import RelaxWarning
>  from pipe_control.mol_res_spin import return_spin, spin_loop
> @@ -446,7 +447,21 @@
>              self.interpreter.relax_disp.r20_from_min_r2eff(force=True)
>
>          # Use pre-run results as the optimisation starting point.
> +        # Test if file exists.
>          if self.pre_run_dir:
> +            path = self.pre_run_dir + sep + model
> +            # File path.
> +            file_path = get_file_path('results', path)
> +
> +            # Test if the file exists and determine the compression type.
> +            try:
> +                compress_type, file_path = determine_compression(file_path)
> +                res_file_exists = True
> +
> +            except RelaxFileError:
> +                res_file_exists = False
> +
> +        if self.pre_run_dir and res_file_exists:
>              self.pre_run_parameters(model=model)
>
>          # Otherwise use the normal nesting check and grid search if not 
> nested.
>
>
> _______________________________________________
> relax (http://www.nmr-relax.com)
>
> This is the relax-commits mailing list
> relax-commits@xxxxxxx
>
> To unsubscribe from this list, get a password
> reminder, or change your subscription options,
> visit the list information page at
> https://mail.gna.org/listinfo/relax-commits