I think in the next step I should generate a user function load_xyz
in the internal.py, right?
Best,
Han
On Jun 10, 2011, at 3:17 PM, Edward d'Auvergne wrote:
The next step is a bit harder. I'll let you see if you can work out
where to go using the system test error message:
======================================================================
ERROR: Load the 'Indol_test.xyz' XYZ file (using the internal
structural object XYZ reader).
----------------------------------------------------------------------
relax> pipe.create(pipe_name='mf', pipe_type='mf')
relax> structure.read_xyz(file='Indol_test.xyz',
dir='/data/relax/branches/xyz/test_suite/shared_data/structures',
read_mol=None, set_mol_name=None, read_model=None, set_model_num=None)
Traceback (most recent call last):
File "test_suite/system_tests/structure.py", line 636, in
test_read_xyz_internal1
self.interpreter.structure.read_xyz(file='Indol_test.xyz',
dir=path)
File "prompt/structure.py", line 571, in read_xyz
generic_fns.structure.main.read_xyz(file=file, dir=dir,
read_mol=read_mol, set_mol_name=set_mol_name, read_model=read_model,
set_model_num=set_model_num)
File "generic_fns/structure/main.py", line 426, in read_xyz
cdp.structure.load_xyz(file_path, read_mol=read_mol,
set_mol_name=set_mol_name, read_model=read_model,
set_model_num=set_model_num, verbosity=verbosity)
AttributeError: Internal instance has no attribute 'load_xyz'
----------------------------------------------------------------------
Regards,
Edward
On 10 June 2011 15:12, Edward d'Auvergne <[email protected]> wrote:
Hi,
I just committed the patch. The code was very clean and exactly the
right lines were deleted. The only problem is line 419 and 420. For
the clean relax coding style, there should not be two empty lines, or
any trailing whitespace (there are exceptions but they are rare and
have good reasons). Oh, it is also sometimes useful to point to
mailing list messages at https://mail.gna.org/public/relax-devel/
when
following the advice from a mail.
Cheers,
Edward
On 10 June 2011 15:04, Han Sun <[email protected]>
wrote:
Follow-up Comment #6, task #7404 (project relax):
Generating new user function 'read_xyz()'.
This is Han's patch https://gna.org/task/download.php?
file_id=13153 attached
to the task
http://gna.org/task/?7404.
The user function 'read_xyz()' was generated and modified in the
generic_fns/structure/main.py based on the function 'read_pdb()'.
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