reference_values#

tmos.reference_values

Description

Reference dictionaries of interest.

References include:

  • bond_type_dict: (dict) Given a bond order float, a RDKit bond type class instance is returned

  • bond_order_dict: (dict) Given a RDKit bond type string, a bond order float is returned

  • expected_oxidation_states: (dict) Dictionary that provides a list of expected oxidation states given a elemental symbol.

  • ideal_angles: (dict): Given the number of atoms around a center get a dictionary of possible geometries and the angles associated

with that geometry in ascending order. - METALS_NUM: (list) A list of atomic numbers for transition metal complexes - transition_metal_covalent_radii: (dict) Given the element symbol, the covalent radii of transition metals is returned

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