Hi, Please see below.
On Fri, Dec 5, 2008 at 5:33 PM, <[EMAIL PROTECTED]> 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: <[EMAIL PROTECTED]>) > > > 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 _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] 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-devel
