[ase-users] Bug: ase.io.cif.read_cif() can not read unquoted string containing a single quote from CIF loop

Andrius Merkys andrius.merkys at gmail.com
Mon Mar 2 16:01:45 CET 2015


Dear all,

ase.io.cif.read_cif() is unable to read unquoted string containing a
single quote from CIF loop. Consider following valid CIF file as
minimal working example (also attached to the letter):

data_mwe
loop_
_publ_author_name
d'Artagnan

Single quote inside unquoted string is allowed in CIF syntax and
should be parsed. The bug was spotted while parsing CIF files from
ICSD, where single quotes are present in some author names.

Best wishes,
Andrius Merkys
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