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Is your feature request related to a problem? Please describe.
In some CIF files, atoms are given by their ionic names (e.g. Fe2+ instead of Fe). This is (sometimes) the case for generated files from The Materials Project. This actually results in failure of get_element_id_from_string().
Describe the solution you'd like
A simple regexp to automatically trim the atom names.
Describe alternatives you've considered
The user can edit the CIF file to remove the exponents.
The text was updated successfully, but these errors were encountered:
Is your feature request related to a problem? Please describe.
In some CIF files, atoms are given by their ionic names (e.g. Fe2+ instead of Fe). This is (sometimes) the case for generated files from The Materials Project. This actually results in failure of
get_element_id_from_string()
.Describe the solution you'd like
A simple regexp to automatically trim the atom names.
Describe alternatives you've considered
The user can edit the CIF file to remove the exponents.
The text was updated successfully, but these errors were encountered: