I think I have reproduced the problem. Does your error message look
like the following?
relax> grace.write(run='jw', x_data_type='res', y_data_type='J(0)',
res_num=None, res_name=None, plot_data='sim', file='J0.agr',
dir='grace', force=1)
Opening the file 'grace/J0.agr' for writing.
Traceback (most recent call last):
File "/mnt/removable/relax/relax", line 454, in ?
Relax()
File "/mnt/removable/relax/relax", line 166, in __init__
self.interpreter.run()
File "/mnt/removable/relax/prompt/interpreter.py", line 213, in run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/mnt/removable/relax/prompt/interpreter.py", line 388, in run_script
console.interact(intro, local, script_file, quit)
File "/mnt/removable/relax/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "jw_mapping.py", line 34, in ?
grace.write(run='jw', y_data_type='J(0)', plot_data='sim',
file='J0.agr', force=1)
File "/mnt/removable/relax/prompt/grace.py", line 232, in write
self.__relax__.generic.grace.write(run=run,
x_data_type=x_data_type, y_data_type=y_data_type, res_num=res_num,
res_name=res_name, plot_data=plot_data, file=file, dir=dir,
force=force)
File "/mnt/removable/relax/generic_fns/grace.py", line 242, in write
self.get_data()
File "/mnt/removable/relax/generic_fns/grace.py", line 138, in get_data
res_data[2], res_data[3] = self.y_return_value(self.run, i,
self.y_data_type, sim=j)
TypeError: return_value() got an unexpected keyword argument 'sim'
If so, I have a fix for this problem which I'll commit to the
repository in a few minutes. Once it has been committed, if you type:
$ svn up
you will then have the fixes in your checked out copy of the
subversion repository.
Edward
On 10/23/06, Edward d'Auvergne <[EMAIL PROTECTED]> wrote:
On 10/23/06, Daniel Perez <[EMAIL PROTECTED]> wrote:
> Hi Edward,
>
> the function grace.write for the spectral density results
> is working fine for the most. I just got an error when I tried to plot
> the simulations ('sims').
To help solve the problem, would you be able post the details of the
issue? The error message would help in tracking down the problem.
Thanks,
Edward
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