Re: r11702 - /branches/bieri_gui/gui_bieri/analyses/auto_model_free.py -- December 06, 2010 - 11:04

Hi,

This fixes the bug, but there is a cleaner place to modify the code.
The reason is because the relax data store still contains the string
version.  So rather than catching the problem at the end, the problem
can be solved at the start.  The place would be in
gui_bieri/settings.py in the Inputfile.accept_settings() method.  Very
similar code could be used in this position.

Cheers,

Edward


On 6 December 2010 06:46,  <michael.bieri@xxxxxxxxxxxxx> wrote:
> Author: michaelbieri
> Date: Mon Dec  6 06:46:21 2010
> New Revision: 11702
>
> URL: http://svn.gna.org/viewcvs/relax?rev=11702&view=rev
> Log:
> Column numbers of parameter files can be set as 0, None or '' if argument 
> is not present.
>
> Modified:
>    branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
>
> Modified: branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_model_free.py?rev=11702&r1=11701&r2=11702&view=diff
> ==============================================================================
> --- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original)
> +++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Mon Dec  6 
> 06:46:21 2010
> @@ -561,8 +561,16 @@
>         # Import parameter file settings.
>         param = ds.relax_gui.file_setting
>
> +        # Read parameter file parameters and convert them to integers if 
> not None.
> +        param_tmp = param
> +        for i in range(0, len(param_tmp)):
> +            if str(param_tmp[i]) in ['', '0', 'None']:
> +                param_tmp[i] = None
> +            else:
> +                param_tmp[i] = int(param_tmp[i])
> +
>         # The sequence data (file name, dir, mol_name_col, res_num_col, 
> res_name_col, spin_num_col, spin_name_col, sep).  These are the arguments 
> to the  sequence.read() user function, for more information please see the 
> documentation for that function.
> -        data.seq_args = [sequence_file, None, None, int(param[1]), 
> int(param[2]),int(param[3]), int(param[4]), None]
> +        data.seq_args = [sequence_file, None, None, param_tmp[1], 
> param_tmp[2], param_tmp[3], param_tmp[4], None]
>
>         # Import golbal settings.
>         global_settings = ds.relax_gui.global_setting
> @@ -606,9 +614,9 @@
>                 continue
>
>             # Append the relaxation data.
> -            data.relax_data.append(['R1', str(frq), float(frq)*1e6, 
> files[1], None, None, int(param[1]), int(param[2]), int(param[3]), 
> int(param[4]), int(param[5]), int(param[6]), None])
> -            data.relax_data.append(['R2', str(frq), float(frq)*1e6, 
> files[2], None, None, int(param[1]), int(param[2]), int(param[3]), 
> int(param[4]), int(param[5]), int(param[6]), None])
> -            data.relax_data.append(['NOE', str(frq), float(frq)*1e6, 
> files[0], None, None, int(param[1]), int(param[2]), int(param[3]), 
> int(param[4]), int(param[5]), int(param[6]), None])
> +            data.relax_data.append(['R1', str(frq), float(frq)*1e6, 
> files[1], None, None, param_tmp[1], param_tmp[2], param_tmp[3], 
> param_tmp[4], param_tmp[5], param_tmp[6], None])
> +            data.relax_data.append(['R2', str(frq), float(frq)*1e6, 
> files[2], None, None, param_tmp[1], param_tmp[2], param_tmp[3], 
> param_tmp[4], param_tmp[5], param_tmp[6], None])
> +            data.relax_data.append(['NOE', str(frq), float(frq)*1e6, 
> files[0], None, None, param_tmp[1], param_tmp[2], param_tmp[3], 
> param_tmp[4], param_tmp[5], param_tmp[6], None])
>
>         # Unresolved resiudes
>         file = DummyFileObject()
>
>
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