cifkit.data.radius_handler module

cifkit.data.radius_handler.compute_radius_sum(radius_values: dict[slice(<class 'str'>, dict[slice(<class 'str'>, <class 'float'>, None)], None)], is_radius_data_available: bool) → dict[slice(<class 'str'>, dict[slice(<class 'str'>, <class 'float'>, None)], None)]

Compute the sum of two radii.

cifkit.data.radius_handler.get_CIF_pauling_radius(elements: list[str]) → dict

Return CIF and Pualing data for a list of elements.

cifkit.data.radius_handler.get_is_radius_data_available(elements: list[str]) → bool

Check if both CIF and Pauling radius data are available for each element in the list.

cifkit.data.radius_handler.get_radius_values_per_element(elements: list[str], shortest_bond_distances) → dict[slice(<class 'str'>, dict[slice(<class 'str'>, <class 'float'>, None)], None)]

Merge CIF and Pauling radius data with CIF refined radius data.