yoshida-lab / XenonPy

XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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data elements not exist #135

Closed wallian closed 5 years ago

wallian commented 5 years ago

I installed development mode with this site, https://xenonpy.readthedocs.io/en/latest/installation.html

and tried to check the preset.elements with this page. https://xenonpy.readthedocs.io/en/latest/tutorial/1-dataset.html

then I got the following error message.

>>> preset.elements
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/home/hagawa/codes/xenonpy/XenonPy/xenonpy/datatools/preset.py", line 230, in elements
    self._check('elements')
  File "/home/hagawa/codes/xenonpy/XenonPy/xenonpy/datatools/preset.py", line 192, in _check
    "data {0} not exist, please run <Preset.sync('{0}')> to download from the repository".format(data))
RuntimeError: data elements not exist, please run <Preset.sync('elements')> to download from the repository

I cannot calculate descriptor without this preset.elements data. How can I get it?

>>> from xenonpy.datatools import preset

doesn't make any error. I'm using Ubuntu18.04 and Anaconda.

wallian commented 5 years ago

OK, I solved this problem with following line:

>>> preset.sync("elements")

If it is important, you would better write this on installation page.

TsumiNa commented 5 years ago

Hi @wallian. Thanks for your feedback. Instead of written everything on the docs, we decided to raise some RuntimeError to let users know what happened and how to address it because xenonpy has too many parts.

But yes, as you said, our docs are still insufficient. We have scheduled the docs updating. We hope this can be done this year.