On Tue, Oct 14, 2008 at 6:10 PM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Tue Oct 14 18:10:16 2008
New Revision: 7694
URL: http://svn.gna.org/viewcvs/relax?rev=7694&view=rev
Log:
Added the support for when a nmrview peak list contains unassigned peaks.
These peaks have an assignment field as '{}' in the peak list and are now
excluded.
Complemented the peak list sample accordingly.
Modified:
1.3/generic_fns/intensity.py
1.3/test_suite/shared_data/peak_lists/cNTnC.xpk
Modified: 1.3/generic_fns/intensity.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/intensity.py?rev=7694&r1=7693&r2=7694&view=diff
==============================================================================
--- 1.3/generic_fns/intensity.py (original)
+++ 1.3/generic_fns/intensity.py Tue Oct 14 18:10:16 2008
@@ -175,6 +175,7 @@
"""
# The residue number
+ res_num=''
try:
res_num = string.strip(line[1],'{')
res_num = string.strip(res_num,'}')
@@ -184,14 +185,18 @@
raise RelaxError, "The peak list is invalid."
I'm not sure if this is a bug or not, but won't this cause a
RelaxError to be raised rather than returning with nothing when the
'{}' assignment is encountered? And instead of a try statement, could
a line like:
if line[1] == '{}':
return
be used? This may allow other errors to be caught while just skipping
'{}' assignments.
Regards,
Edward
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