Cifadapter

[SurgeArrester]

Modifies optimade.models.structures.cif.py by using the pycifrw adapter in PR 10 to process cifs using either a raw string or filepath to a optimade.models.StructureResourceAttributes object.

from_cif(cif_string: Union[bytes, str],
fp: bool=False,
id: Union[None, str] = None) -> StructureResourceAttributes:

cif_string: Either the filepath or raw cif data
fp: Boolean flag as to whether cif_string is a filepath or raw string
id: The unique id to assign to the resultant StructureResourceAttribute

Fixed Issues

• Removed $ symbol from all cifs
• Stopped semicolon initiating lines escaping multiline semicolon escape sequences
• Stopped mid title apostrophes from breakng title escape sequence
• Stopped apostrophes in _chemical_name_common and _chemical_name_structure_type from breaking the escape sequeces

[ml-evs]

Superseded by #10