CING crashing on Aqua exporter

[GoogleCodeExporter]

What steps will reproduce the problem?
1. For restraints without atoms the exporter crashed as noted by Wim V. in 
below.

Traceback (most recent call last):
File "/Users/jd/workspace35/cing/python/cing/main.py", line 793, in <module>
main()
File "/Users/jd/workspace35/cing/python/cing/main.py", line 755, in main
execfile(scriptFile, globals() )
File "/Users/jd/workspace35/cing/python/cing/Scripts/doValidateiCing.py", line 
36, in <module>
doProcheck = doProcheck, doWhatif=doWhatif, doWattos=doWattos)
File "/Users/jd/workspace35/cing/python/cing/core/classes.py", line 979, in 
validate
return validate(self, ranges = ranges, parseOnly = parseOnly, htmlOnly = 
htmlOnly, doProcheck = doProcheck, doWhatif = doWhatif, doWattos = 
doWattos)
File "/Users/jd/workspace35/cing/python/cing/core/validate.py", line 123, in 
validate
project.runProcheck(ranges=ranges, parseOnly=parseOnly)
File "/Users/jd/workspace35/cing/python/cing/PluginCode/procheck.py", line 681, 
in runProcheck
if not pcheck.run(ranges=ranges,createPlots=createPlots, runAqua=runAqua):
File "/Users/jd/workspace35/cing/python/cing/PluginCode/procheck.py", line 418, 
in run
if self.project.export2aqua():
File "/Users/jd/workspace35/cing/python/cing/PluginCode/aqua.py", line 100, in 
export2aqua
dr.atomPairs[0][0].export2aqua(),
File "/Users/jd/workspace35/cing/python/cing/Libs/NTutils.py", line 117, in 
__getitem__
return list.__getitem__(self, item)
IndexError: list index out of range

Fix is put in in place right now.

Original issue reported on code.google.com by jurge...@gmail.com on 11 Feb 2010 at 1:44

[GoogleCodeExporter]

Fixed in r722 and updated to iCing for W.'s convenience.

NB: policy is to debug to the level where CING does not crash. At this point 
CING fails to run Aqua for this 
proprietary project but at least it doesn't crash on it.

Original comment by jurge...@gmail.com on 11 Feb 2010 at 2:03

• Changed state: Fixed