Re: Plotting the Reduced spectral density mapping -- October 23, 2006 - 10:05

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 <edward.dauvergne@xxxxxxxxx> wrote:
> On 10/23/06, Daniel Perez <daniel.perez@xxxxxxxxxxxxxxxx> 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