What steps will reproduce the problem?
1. Look at stack trace below. SML restore of molecule crashes on this entry
with 640 models
================================================================================
======================
| CING: Common Interface for NMR structure Generation version 0.95 (r1117)
AW,JFD,GWV 2004-2011 |
================================================================================
======================
User: i on: cvca (linux/32bit/8cores/2.7.1+) at: (1349) Fri
Nov 25 01:49:56 2011
DEBUG: Starting doStoreCING2db using:
DEBUG: entry_code: 2kox
DEBUG: archive_id: ARCHIVE_NRG
DEBUG: user_name: pdbj
DEBUG: db_name: pdbmlplus
DEBUG: schema: nrgcing
DEBUG: doReadProject: True
==> Restoring <Project 2kox> ...
CING started at : Fri Nov 25 01:49:54 2011
CING stopped at : Fri Nov 25 01:49:57 2011
CING took : 3.394 s
Traceback (most recent call last):
File "/home/i/workspace/cingStable/python/cing/NRG/storeCING2db.py", line 1028, in <module>
status = doStoreCING2db(*sys.argv[1:])
File "/home/i/workspace/cingStable/python/cing/NRG/storeCING2db.py", line 105, in doStoreCING2db
project = Project.open(entry_code, status='old')
File "/home/i/workspace/cingStable/python/cing/core/classes.py", line 596, in open
pr.restore()
File "/home/i/workspace/cingStable/python/cing/core/classes.py", line 729, in restore
mol = Molecule.open(pathName)
File "/home/i/workspace/cingStable/python/cing/core/molecule.py", line 1595, in open
mol = Molecule.SMLhandler.fromFile(fpath) # pylint: disable=E1101
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 282, in fromFile
newObj = handler.handle( line, fp, obj, **kwds )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 185, in handle
newObj = handler.handle( line, fp, obj )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 467, in handle
mol[key] = SMLstarthandlers[line[3]].handle( [' '.join(line[3:])] + line[3:], fp, mol )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 331, in handle
return self.listHandler(listObj, fp, obj)
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 111, in listHandler
listObj.append( SMLstarthandlers[line[1]].handle( line, fp, obj ) )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 554, in handle
return self.dictHandler(chain, fp, molecule)
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 141, in dictHandler
dictObj[line[1]] = SMLstarthandlers[line[3]].handle( [' '.join(line[3:])] + line[3:], fp, obj )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 331, in handle
return self.listHandler(listObj, fp, obj)
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 111, in listHandler
listObj.append( SMLstarthandlers[line[1]].handle( line, fp, obj ) )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 603, in handle
return self.dictHandler(res, fp, molecule)
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 141, in dictHandler
dictObj[line[1]] = SMLstarthandlers[line[3]].handle( [' '.join(line[3:])] + line[3:], fp, obj )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 331, in handle
return self.listHandler(listObj, fp, obj)
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 111, in listHandler
listObj.append( SMLstarthandlers[line[1]].handle( line, fp, obj ) )
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 677, in handle
return self.dictHandler(atm, fp, molecule)
File "/home/i/workspace/cingStable/python/cing/core/sml.py", line 147, in dictHandler
dictObj[line[1]] = eval(' '.join(line[3:]))
File "<string>", line 1
SyntaxError: more than 255 arguments
I think it's going into the wrong routine but that's for Geerten to figure out.
I will implement a work around that will skip over the per atom shiftx data.
Original issue reported on code.google.com by jurge...@gmail.com on 30 Nov 2011 at 2:08
Original issue reported on code.google.com by
jurge...@gmail.com
on 30 Nov 2011 at 2:08