quemb.molbe.chemfrag.Fragmented.from_frag_structure

classmethod Fragmented.from_frag_structure(mol, frag_structure, frozen_core, iao_valence_basis=None)

Construct a Fragmented

Parameters:

• mol (TypeVar(_T_chemsystem, Mole, Cell)) – The Molecule to extract the connectivity data from.

• frag_structure (PurelyStructureFragmented) – The fragmented structure to use.

Return type:

Self