generate_robocrys_condensed_struct_and_description

emmet.core.utils.generate_robocrys_condensed_struct_and_description(structure, mineral_matcher=None, symprecs=[0.01, 0.1, 1.0e-3])

Get robocrystallographer description of a structure.

Return type:

tuple[dict[str, Any], Any]

Parameters:

• structure (Structure)

• symprecs (list[float])

Input

structure : pymatgen .Structure mineral_matcher : optional robocrys MineralMatcher object

Slightly reduces load time by storing mineral data in memory, rather than reloading for each structure.

symprecslist[float]

A list of symprec values to try for symmetry identification. The first value is the default used by robocrys, then the default used by emmet (looser), then a tighter symprec.

Output

A robocrys condensed structure and description.