sas.dataloader module

[Ratel-Ramond Nicolas]

Hi everyone,

I am currently focusing on simultaneous SAXS/WAXS refinement data with a
single model. I have found the nppdfsas.py exmpale in diffpy.srfit
documentation.

However, the code is returning the following error: ModuleNotFoundError:
No module named 'sas.dataloader'

Is there something I missed?
Thanks for your help,

Nicolas

[Mikkel Juelsholt]

Hi Nicolas

What version of Diffpy are you using? 

It might be that the SAS module is not updated and only works in 2.7. I would test that

Simon or Pavel might know if the SAS module has been written to Python 3

Cheers Mikkel

[Ratel-Ramond Nicolas]

Thanks for your message. You may be right, this might be a version issue.

I am using diffpy-cmi package, with Python 3.7 (anaconda env). Please let me know if the SAS module has been implemented in Python 3 or if there is an alternative.

Chhers,

Nicolas

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[Simon Billinge]

Thanks Mikkel for helping out.

I would have to take a look where the sas code is to know if it is updated or not, but it is a real possibility that it wasn't .

I will take a look

S

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--

Simon Billinge

Professor, 

Department of Applied Physics and Applied Mathematics

Columbia University

[Simon Billinge]

Dear Nicolas,

I don't see a call to sas.dataloader.  Please can you send me the full stack dump to help me track it down?

[Ratel-Ramond Nicolas]

Dear Simon,

Thanks for you help. I did not modify the code from the example (except the path to C60.stru file)

Here is the full answer from Python

 Fichier "/home-local/ratel-ra/Documents/Python_code/Diffpy/Diffpy_examples/npsaspdf.py", ligne 185, dans <module>
    recipe = makeRecipe(ciffile, grdata, iqdata)
  Fichier "/home-local/ratel-ra/Documents/Python_code/Diffpy/Diffpy_examples/npsaspdf.py", ligne 71, dans <module>
    sasparser.parseFile(iqdata)
  Fichier "/home-local/ratel-ra/anaconda3_c/envs/py37/lib/python3.7/site-packages/diffpy.srfit-3.0.0-py3.7.egg/diffpy/srfit/sas/sasparser.py", ligne 86, dans parseFile
    Loader = sasimport('sas.dataloader.loader').Loader
  Fichier "/home-local/ratel-ra/anaconda3_c/envs/py37/lib/python3.7/site-packages/diffpy.srfit-3.0.0-py3.7.egg/diffpy/srfit/sas/sasimport.py", ligne 64, dans sasimport
    exec('import %s as mobj' % modname)
  Fichier "<string>", ligne 1, dans <module>
builtins.ModuleNotFoundError: No module named 'sas.dataloader'

Thanks again,

Regards,

Nicolas

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[Mikkel Juelsholt]

Hi Nicolas 

I quite sure the SAS module works in python 2. So the quick workaround right now is to make a python 2.7 environment and then install the old version of diffpy with the SAS module. I have that installed on a mac, and that worked last time I used it.

Cheers Mikkel

[Ratel-Ramond Nicolas]

ok thanks. I'll have a try and create a python2.7 environment. I'll keep you informed (i 'll do that tomorrow).

Nicolas

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[Ratel-Ramond Nicolas]

Hi Mikkel,

I have attempted creating a python 2.7 environment with the suitable diffpy version. However, i get an error message regarding pyobjcryst module, which is unfortunately not available for python 2.7 (still while running the npsas.py example in diffpy documentation).

Thanks in advance,

Nicolas

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[Mikkel Juelsholt]

Hi Nicolas 

Sorry for the slow reply. I did not see your reply. 

You can use the loadStructure function instead. You need to constrain the lattice parameters a little differently, but there should be examples of how to do it online. 

Cheers Mikkel