[bug #14941] Final Run error message -- December 14, 2009 - 16:57

URL:
  <http://gna.org/bugs/?14941>

                 Summary: Final Run error message
                 Project: relax
            Submitted by: None
            Submitted on: Monday 12/14/2009 at 16:57 CET
                Category: None
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: 
        Originator Email: mikaela.stewart@xxxxxxxxx
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 1.3.3
        Operating System: GNU/Linux

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Details:

I originally reported this under support not realizing it was a bug.  I am
running relax using the full_analysis.py script and after running all of the
models until they converged I tried to run "final" to pick the best model and
do monte-carlo simulations and I get the following traceback...

relax> monte_carlo.setup(number=200)

relax> monte_carlo.create_data(method='back_calc')
Traceback (most recent call last):
  File "/usr/local/bin/relax", line 418, in ?
    Relax()
  File "/usr/local/bin/relax", line 127, in __init__
    self.interpreter.run(self.script_file)
  File "/usr/local/relax-1.3.3/relax-1.3/prompt/interpreter.py", line 273, in
run
    elif hasattr(self.relax, 'dummy_mode'):
  File "/usr/local/relax-1.3.3/relax-1.3/prompt/interpreter.py", line 534, in
run_script
    def runcode(self, code):
  File "/usr/local/relax-1.3.3/relax-1.3/prompt/interpreter.py", line 430, in
interact_script
    except KeyboardInterrupt:
  File "full_analysis_test.py", line 668, in ?
    Main(self.relax)
  File "full_analysis_test.py", line 368, in __init__
    monte_carlo.create_data()
  File "/usr/local/relax-1.3.3/relax-1.3/prompt/monte_carlo.py", line 91, in
create_data
    monte_carlo.create_data(method=method)
  File "/usr/local/relax-1.3.3/relax-1.3/generic_fns/monte_carlo.py", line
76, in create_data
    data = create_mc_data(data_index)
  File "/usr/local/relax-1.3.3/relax-1.3/specific_fns/model_free/main.py",
line 508, in create_mc_data
    valid_types = ['mf_orig', 'mf_ext', 'mf_ext2']
  File
"/usr/local/relax-1.3.3/relax-1.3/specific_fns/model_free/mf_minimise.py",
line 61, in back_calc
    value = self.minimise(min_algor='back_calc', min_options=(index,
ri_label, frq_label, frq))
  File
"/usr/local/relax-1.3.3/relax-1.3/specific_fns/model_free/mf_minimise.py",
line 773, in minimise
    if not spin.model:
AttributeError: 'SpinContainer' object has no attribute 'model'



I am attaching my results files for "local_tm/aic" and "sphere/opt" in that
order.  I still get the error message if I run the script using only these
two files. Thank you very much for your help with this.



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File Attachments:


-------------------------------------------------------
Date: Monday 12/14/2009 at 16:57 CET  Name: results.bz2  Size: 8kB   By: None

<http://gna.org/bugs/download.php?file_id=7499>
-------------------------------------------------------
Date: Monday 12/14/2009 at 16:57 CET  Name: results.bz2  Size: 18kB   By:
None

<http://gna.org/bugs/download.php?file_id=7500>

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