Hi,
I would instead use the RelaxWarning system, rather than the
RelaxErrors. This would allow the script to continue operation and is
easy enough to use. For example in relax:
warn(RelaxWarning("The spin '%s' is already numbered. Set the force
flag to renumber." % id))
This would improve the output for the user to understand the problems,
well as long as the message is informative enough.
Regards,
Edward
On 31 May 2011 01:50, Michael Bieri <[email protected]> wrote:
> Hi Edward
>
> Would you make more changes? I know you first wanted to use the relax error.
> But I decided not to use it as this would break the execution of the script.
>
> Cheers
> Michael
>
>
> Am 30.05.2011 23:40, schrieb Edward d'Auvergne:
>>
>> Hi,
>>
>> Once all the changes are complete, it might be worth mentioning this
>> on the relax-users mailing list with a link to the file (via
>> http://svn.gna.org/viewcvs/relax/).
>>
>> Regards,
>>
>> Edward
>>
>>
>>
>> On 30 May 2011 04:38,<[email protected]> wrote:
>>>
>>> Author: michaelbieri
>>> Date: Mon May 30 04:38:17 2011
>>> New Revision: 12830
>>>
>>> URL: http://svn.gna.org/viewcvs/relax?rev=12830&view=rev
>>> Log:
>>> If no diffusion tensor is present, creation of diffusion pdb will be
>>> skipped.
>>>
>>> Modified:
>>> 1.3/sample_scripts/model_free/final_data_extraction.py
>>>
>>> Modified: 1.3/sample_scripts/model_free/final_data_extraction.py
>>> URL:
>>> http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/final_data_extraction.py?rev=12830&r1=12829&r2=12830&view=diff
>>>
>>> ==============================================================================
>>> --- 1.3/sample_scripts/model_free/final_data_extraction.py (original)
>>> +++ 1.3/sample_scripts/model_free/final_data_extraction.py Mon May 30
>>> 04:38:17 2011
>>> @@ -15,6 +15,7 @@
>>> # relax module imports.
>>> from generic_fns.mol_res_spin import spin_loop
>>> from generic_fns import pipes
>>> +from relax_errors import RelaxError
>>>
>>>
>>>
>>> @@ -131,16 +132,6 @@
>>> grace.write(x_data_type='spin', y_data_type='csa', file='csa.agr',
>>> force=True)
>>> grace.write(x_data_type='te', y_data_type='s2', file='s2-te.agr',
>>> force=True)
>>>
>>>
>>> -##################################################################################################
>>> -
>>> -#Create Diffusion Tensor
>>> -
>>> -# Display the diffusion tensor.
>>> -diffusion_tensor.display()
>>> -
>>> -# Create the tensor PDB file.
>>> -tensor_file = 'tensor.pdb'
>>> -structure.create_diff_tensor_pdb(file=tensor_file, force=True)
>>>
>>>
>>> ##################################################################################################
>>>
>>> @@ -244,6 +235,24 @@
>>> file.close()
>>>
>>>
>>>
>>> +##################################################################################################
>>> +
>>> +#Create Diffusion Tensor
>>> +
>>> +# Try to read the diffusion tensor.
>>> +try:
>>> + # Display the diffusion tensor.
>>> + diffusion_tensor.display()
>>> +
>>> + # Create the tensor PDB file.
>>> + tensor_file = 'tensor.pdb'
>>> + structure.create_diff_tensor_pdb(file=tensor_file, force=True)
>>> +
>>> +# No diffusion in model (local tm model)
>>> +except:
>>> + print "No diffusion tensor found."
>>> +
>>> +
>>>
>>>
>>> ##################################################################################################
>>>
>>>
>>>
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>>>
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>>>
>> _______________________________________________
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>
> _______________________________________________
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