This will be quite a useful check! Edward
On Tue, Oct 14, 2008 at 6:51 PM, <[EMAIL PROTECTED]> wrote: > Author: semor > Date: Tue Oct 14 18:50:59 2008 > New Revision: 7695 > > URL: http://svn.gna.org/viewcvs/relax?rev=7695&view=rev > Log: > Added the support of unassigned peaks in Sparky formatted peak lists. > > The unassigned peak show up as '?-?'. > > Thanks to Ryan Hoffman and his bug report (https://gna.org/bugs/?11913). > > > Modified: > 1.3/generic_fns/intensity.py > 1.3/test_suite/shared_data/peak_lists/ref_ave.list > > Modified: 1.3/generic_fns/intensity.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/intensity.py?rev=7695&r1=7694&r2=7695&view=diff > ============================================================================== > --- 1.3/generic_fns/intensity.py (original) > +++ 1.3/generic_fns/intensity.py Tue Oct 14 18:50:59 2008 > @@ -86,29 +86,36 @@ > @raises RelaxError: When the expected peak intensity is not a float. > """ > > + > # The Sparky assignment. > - assignment = split('([A-Z]+)', line[0]) > - assignment = assignment[1:-1] > + assignment = '' > + res_num='' > + h_name='' > + x_name='' > + intensity='' > + if line[0]!='?-?': > + assignment = split('([A-Z]+)', line[0]) > + assignment = assignment[1:-1] > > # The residue number. > - try: > - res_num = int(assignment[1]) > - except: > - raise RelaxError, "Improperly formatted Sparky file." > + try: > + res_num = int(assignment[1]) > + except: > + raise RelaxError, "Improperly formatted Sparky file." > > # Nuclei names. > - x_name = assignment[2] > - h_name = assignment[4] > + x_name = assignment[2] > + h_name = assignment[4] > > # The peak intensity column. > - if int_col == None: > - int_col = 3 > + if int_col == None: > + int_col = 3 > > # Intensity. > - try: > - intensity = float(line[int_col]) > - except ValueError: > - raise RelaxError, "The peak intensity value " + `intensity` + " from > the line " + `line` + " is invalid." > + try: > + intensity = float(line[int_col]) > + except ValueError: > + raise RelaxError, "The peak intensity value " + `intensity` + " > from the line " + `line` + " is invalid." > > # Return the data. > return res_num, h_name, x_name, intensity > > Modified: 1.3/test_suite/shared_data/peak_lists/ref_ave.list > URL: > http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/peak_lists/ref_ave.list?rev=7695&r1=7694&r2=7695&view=diff > ============================================================================== > --- 1.3/test_suite/shared_data/peak_lists/ref_ave.list (original) > +++ 1.3/test_suite/shared_data/peak_lists/ref_ave.list Tue Oct 14 18:50:59 > 2008 > @@ -4,3 +4,4 @@ > GLY4N-HN 111.978 8.720 148614 > SER5N-HN 115.069 8.177 166842 > MET6N-HN 120.910 8.813 128690 > + ?-? 122.562 7.960 87879 > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits 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-commits > _______________________________________________ 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
