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
_______________________________________________________
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.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?21499>
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