[bug #21499] The rdc.write user function fails for back-calculated RDC data. -- January 17, 2014 - 11:56

URL:
  <http://gna.org/bugs/?21499>

                 Summary: The rdc.write user function fails for
back-calculated RDC data.
                 Project: relax
            Submitted by: bugman
            Submitted on: Fri 17 Jan 2014 10:56:16 AM GMT
                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: 3.1.3
        Operating System: All systems

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Details:

The rdc.write user function fails for back-calculated RDC data with the error
message:

relax> rdc.write(align_id='dy', file='rdc_dy.txt', dir='/tmp/tmpAmjpAC',
bc=True, force=True)
Opening the file '/tmp/tmpAmjpAC/rdc_dy.txt' for writing.
Traceback (most recent call last):
  File "/data/relax/relax-trunk/test_suite/system_tests/frame_order.py", line
645, in test_generate_rotor2_distribution
   
self.interpreter.run(script_file=self.cam_path+'generate_rotor2_distribution.py')
  File "/data/relax/relax-trunk/prompt/interpreter.py", line 278, in run
    return run_script(intro=self.__intro_string, local=locals(),
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
  File "/data/relax/relax-trunk/prompt/interpreter.py", line 576, in
run_script
    return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
  File "/data/relax/relax-trunk/prompt/interpreter.py", line 468, in
interact_script
    exec_script(script_file, local)
  File "/data/relax/relax-trunk/prompt/interpreter.py", line 341, in
exec_script
    runpy.run_module(module, globals)
  File "/usr/lib64/python2.7/runpy.py", line 180, in run_module
    fname, loader, pkg_name)
  File "/usr/lib64/python2.7/runpy.py", line 72, in _run_code
    exec code in run_globals
  File
"/data/relax/relax-trunk/test_suite/system_tests/scripts/frame_order/cam/generate_rotor2_distribution.py",
line 44, in <module>
    generate.run(save_path=ds.tmpdir)
  File
"/data/relax/relax-trunk/test_suite/shared_data/frame_order/cam/generate_base.py",
line 77, in run
    self._back_calc()
  File
"/data/relax/relax-trunk/test_suite/shared_data/frame_order/cam/generate_base.py",
line 123, in _back_calc
    self.interpreter.rdc.write(align_id=tag, file='rdc_%s.txt'%tensors[i],
dir=self.save_path, bc=True, force=True)
  File "/data/relax/relax-trunk/prompt/uf_objects.py", line 221, in __call__
    self._backend(*new_args, **uf_kargs)
  File "/data/relax/relax-trunk/pipe_control/rdc.py", line 1275, in write
    data[-1].append(repr(convert(interatom.rdc_bc[align_id],
interatom.rdc_data_types[align_id], align_id)))
AttributeError: 'InteratomContainer' object has no attribute 'rdc_data_types'


This message comes from the Frame_order.test_generate_rotor2_distribution
system test.




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