mail[bug #12418] Failure of the NOE analysis at the value.write() user function.


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Posted by Edward d Auvergne on October 07, 2008 - 20:48:

URL:
  <http://gna.org/bugs/?12418>

                 Summary: Failure of the NOE analysis at the value.write()
user function.
                 Project: relax
            Submitted by: bugman
            Submitted on: Tuesday 10/07/2008 at 18:48
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: bugman
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 1.2.13
        Operating System: All systems

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Details:

This is a regression affecting all relax versions after 1.2.12 (although not
the 1.3 line).  When executing a modified version of the noe.py sample
script, the following error is raised:

relax> unselect.read(run='noe', file='unresolved', dir=None, change_all=0,
column=0)
Opening the file 'unresolved' for reading.

relax> calc(run='noe', print_flag=1)

relax> value.write(run='noe', param='noe', file='noe.out', dir=None,
force=1)
Opening the file 'noe.out' for writing.
Traceback (most recent call last):
  File "/data/relax/releases/relax-1.2.14/relax", line 457, in <module>
    Relax()
  File "/data/relax/releases/relax-1.2.14/relax", line 167, in __init__
    self.interpreter.run()
  File "/data/relax/releases/relax-1.2.14/prompt/interpreter.py", line 216,
in run
    run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
  File "/data/relax/releases/relax-1.2.14/prompt/interpreter.py", line 391,
in run_script
    console.interact(intro, local, script_file, quit)
  File "/data/relax/releases/relax-1.2.14/prompt/interpreter.py", line 343,
in interact_script
    execfile(script_file, local)
  File "noe.py", line 29, in <module>
    value.write(name, param='noe', file='noe.out', force=1)
  File "/data/relax/releases/relax-1.2.14/prompt/value.py", line 506, in
write
    self.__relax__.generic.value.write(run=run, param=param, file=file,
dir=dir, force=force)
  File "/data/relax/releases/relax-1.2.14/generic_fns/value.py", line 537, in
write
    self.write_data(file, return_value)
  File "/data/relax/releases/relax-1.2.14/generic_fns/value.py", line 549, in
write_data
    self.function_type =
self.relax.data.run_types[self.relax.data.run_names.index(run)]
ValueError: list.index(x): x not in list




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