Author: tlinnet Date: Fri Dec 6 12:09:56 2013 New Revision: 21825 URL: http://svn.gna.org/viewcvs/relax?rev=21825&view=rev Log: Fixed for reading spins from a NMRPipe SeriesTab formatted file, where dimension 2 misses residue number and residue name.
Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. Modified: trunk/lib/spectrum/nmrpipe.py Modified: trunk/lib/spectrum/nmrpipe.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/spectrum/nmrpipe.py?rev=21825&r1=21824&r2=21825&view=diff ============================================================================== --- trunk/lib/spectrum/nmrpipe.py (original) +++ trunk/lib/spectrum/nmrpipe.py Fri Dec 6 12:09:56 2013 @@ -109,25 +109,32 @@ row2 = re.split('([a-zA-Z]+)', assign2) name2 = row2[-2] + row2[-1] - # Get the residue number. + # Get the residue number for dimension 1. try: res_num1 = int(row1[-3]) + except: + raise RelaxError("Improperly formatted NMRPipe SeriesTab file, cannot process the residue number for dimension 1 in assignment: %s." % line[0]) + + # Get the residue number for dimension 2. + try: res_num2 = int(row2[-3]) except: - raise RelaxError("Improperly formatted NMRPipe SeriesTab file, cannot process the assignment '%s'." % line[0]) + # We cannot always expect dimension 2 to have residue number. + warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, cannot process the residue number for dimension 2 in assignment: %s. Setting residue number to None." % line[0])) + res_num2 = None # The residue name for dimension 1. try: res_name1 = row1[-4] except: - warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, cannot process the assignment '%s' for residue name dimension 1. Setting residue name to None." % line[0])) + warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, cannot process the residue name for dimension 1 in assignment: %s." % line[0])) res_name1 = None # The residue name for dimension 2. try: res_name2 = row2[-4] except: - raise warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, cannot process the assignment '%s' for residue name dimension 2.\nSetting residue name to None." % line[0])) + warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, cannot process the residue name for dimension 2 in assignment: %s. Setting residue name to None." % line[0])) res_name2 = None # Get the intensities. _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org 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
