Re: r8149 - /1.3/generic_fns/spectrum.py -- December 05, 2008 - 20:30

Hi,

Please see below.

On Fri, Dec 5, 2008 at 5:33 PM,  <sebastien.morin.1@xxxxxxxxx> wrote:
> Author: semor
> Date: Fri Dec  5 17:33:23 2008
> New Revision: 8149
>
> URL: http://svn.gna.org/viewcvs/relax?rev=8149&view=rev
> Log:
> Introduced the generate_spin_id_data_array() function in the generic 
> intensity file code.
>
> The code now support a 'fake' generic format (with defined columns). Much 
> more work is needed to
> make this code more versatile to support 'any' format.
>
> This follows a post by Edward at:
> https://mail.gna.org/public/relax-devel/2008-12/msg00027.html
> (Message-id: <7f080ed10812041223y1fe40665u90cfef9144cc5ca5@xxxxxxxxxxxxxx>)
>
>
> Modified:
>    1.3/generic_fns/spectrum.py
>
> Modified: 1.3/generic_fns/spectrum.py
> URL: 
> http://svn.gna.org/viewcvs/relax/1.3/generic_fns/spectrum.py?rev=8149&r1=8148&r2=8149&view=diff
> ==============================================================================
> --- 1.3/generic_fns/spectrum.py (original)
> +++ 1.3/generic_fns/spectrum.py Fri Dec  5 17:33:23 2008
> @@ -33,7 +33,7 @@
>  from warnings import warn
>
>  # relax module imports.
> -from generic_fns.mol_res_spin import count_spins, 
> exists_mol_res_spin_data, generate_spin_id, return_spin, spin_loop
> +from generic_fns.mol_res_spin import count_spins, 
> exists_mol_res_spin_data, generate_spin_id, generate_spin_id_data_array, 
> return_spin, spin_loop
>  from generic_fns import pipes
>  from relax_errors import RelaxError, RelaxArgNotInListError, 
> RelaxImplementError, RelaxNoSequenceError
>  from relax_io import extract_data, strip
> @@ -467,8 +467,8 @@
>     print 'The following information was extracted from the intensity file 
> (res_num, h_name, x_name, intensities).'
>     print '    ' + `res_num`, h_name, x_name, intensity
>
> -    # Generate the spin_id.
> -    spin_id = generate_spin_id(res_num=res_num, spin_name=x_name)
> +    # Generate the spin identification string.
> +    spin_id = generate_spin_id_data_array(data=line, mol_name_col=None, 
> res_num_col=1, res_name_col=None, spin_num_col=None, spin_name_col=None)

This line should look more like:

    spin_id = generate_spin_id_data_array(data=line,
mol_name_col=mol_name_col, res_num_col=res_num_col,
res_name_col=res_name_col, spin_num_col=spin_num_col,
spin_name_col=spin_name_col)

Obviously the mol_name_col, etc. variables are not yet in this function.

Regards,

Edward