Re: r11352 - /branches/bieri_gui/auto_analyses/relax_fit.py -- July 27, 2010 - 09:43

Hi,

This is a good idea!  All constants - strings, integers, floats,
lists, etc. - should be removed from these functions and placed into
arguments.

Cheers,

Edward



On 27 July 2010 04:15,  <michael.bieri@xxxxxxxxxxxxx> wrote:
> Author: michaelbieri
> Date: Tue Jul 27 04:15:51 2010
> New Revision: 11352
>
> URL: http://svn.gna.org/viewcvs/relax?rev=11352&view=rev
> Log:
> Increment size can be specified.
>
> Modified:
>    branches/bieri_gui/auto_analyses/relax_fit.py
>
> Modified: branches/bieri_gui/auto_analyses/relax_fit.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=11352&r1=11351&r2=11352&view=diff
> ==============================================================================
> --- branches/bieri_gui/auto_analyses/relax_fit.py (original)
> +++ branches/bieri_gui/auto_analyses/relax_fit.py Tue Jul 27 04:15:51 2010
> @@ -30,7 +30,7 @@
>
>
>  class Relax_fit:
> -    def __init__(self, filename='rx', pipe_name='rx', results_directory = 
> None, seq_args=None, file_names=None, relax_times=None, pdb_file=None, 
> view_plots=True, int_method='height', heteronuc = 'N', proton = 'H', 
> mc_num=500):
> +    def __init__(self, filename='rx', pipe_name='rx', results_directory = 
> None, seq_args=None, file_names=None, relax_times=None, pdb_file=None, 
> view_plots=True, int_method='height', heteronuc = 'N', proton = 'H', 
> mc_num=500, inc = '11'):
>         """Perform relaxation curve fitting.
>
>         @keyword filename:      Name of the output file.
> @@ -57,6 +57,8 @@
>         @type proton:           str
>         @keyword mc_num:        The number of Monte Carlo simulations to be 
> used for error analysis at the end of the analysis.
>         @type mc_num:           int
> +        @keyword inc:           Number of grid search increments.
> +        @type inc:              int
>         """
>
>         # Store the args.
> @@ -76,6 +78,7 @@
>         self.heteronuc = heteronuc
>         self.proton = proton
>         self.mc_num = mc_num
> +        self.inc = inc
>
>         # User variable checks.
>         self.check_vars()
> @@ -128,7 +131,7 @@
>         self.interpreter.relax_fit.select_model('exp')
>
>         # Grid search.
> -        self.interpreter.grid_search(inc=11)
> +        self.interpreter.grid_search(inc=self.inc)
>
>         # Minimise.
>         self.interpreter.minimise('simplex', scaling=False, 
> constraints=False)
>
>
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