Describe the bug
I have noticed that while Cif can ingest the Materials Project cifs I tried (e.g. mp-19294, mp-804), CifEnsemble logs these as error_others when placed in a directory.
To Reproduce
>>> from cifkit import CifEnsemble
>>> # where mp_test is a folder containing the MP cif files
>>> ensemble = CifEnsemble("mp_test")
Error processing mp_test/LiFeP2O7.cif: mp_test/LiFeP2O7.cif:1:0(0): expected block header (data_)
Error processing mp_test/GaN.cif: mp_test/GaN.cif:1:0(0): expected block header (data_)
CIF Preprocessing in mp_test begun...
Preprocessing mp_test/LiFeP2O7.cif (1/2)
File LiFeP2O7.cif moved to 'error_others' due to: mp_test/LiFeP2O7.cif:1:0(0): expected block header (data_)
Preprocessing mp_test/GaN.cif (2/2)
File GaN.cif moved to 'error_others' due to: mp_test/GaN.cif:1:0(0): expected block header (data_)
SUMMARY
# of files moved to 'error_operations' folder: 0
# of files moved to 'error_duplicate_labels' folder: 0
# of files moved to 'error_wrong_loop_value' folder: 0
# of files moved to 'error_coords' folder: 0
# of files moved to 'error_invalid_label' folder: 0
# of files moved to 'error_others' folder: 2
Initializing 0 Cif objects...
Finished initialization!
Expected behavior
Ingestion of the CIF files into a CifEnsemble object
Checklist
Describe the bug I have noticed that while
Cif
can ingest the Materials Projectcif
s I tried (e.g. mp-19294, mp-804),CifEnsemble
logs these aserror_others
when placed in a directory.To Reproduce
Expected behavior Ingestion of the CIF files into a
CifEnsemble
object