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pyxem / orix

Analysing crystal orientations and symmetry in Python
https://orix.readthedocs.io
GNU General Public License v3.0
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Phase.from_cif() fails because space_group cannot be read #505

Closed OverEthanol closed 4 weeks ago

OverEthanol commented 3 months ago

When reading .cif file from a folder outside of the current directory using, for example

from pathlib import Path
from orix.crystal_map import Phase
dataDir = Path("C:/Users/s175423/Experiment_Data")
structure = Phase.from_cif(dataDir / "xxx.cif")

It outputs the error message that:

image

However, when I load in the .cif file from the working directory, then everything is fine again. Is this perhaps a bug?

pc494 commented 3 months ago

Hi,

This is certainly very weird. Would it be possible to share a copy of the .cif file in question?

OverEthanol commented 2 months ago

Hi,

This is certainly very weird. Would it be possible to share a copy of the .cif file in question?

Try and see if you can download this one ZIF-L.cif

pc494 commented 2 months ago

Hi, This is certainly very weird. Would it be possible to share a copy of the .cif file in question?

Try and see if you can download this one ZIF-L.cif

This file is protected to your institution.

OverEthanol commented 2 months ago

This file is protected to your institution.

Very sorry about that! Can you try this instead?

hakonanes commented 1 month ago

Thanks for reporting this, @OverEthanol. The space group is not required for a functional Phase instance, so we should of course just try to get the space group number and then move on if we couldn't read it... I'll have a look at this.

hakonanes commented 1 month ago

A fix is available in #522.