CurlySMILES class Notation: method type_components

Method type_components belongs to class Notation, the core class for managing a CurlySMILES notation.

Module: csm_notation.py
Method: numbof_components()
Argument: no argument
Return: lstTypes, an list of strings with type specifications of composite parts (forward-slash-separated parts) in a composite notation. Possible type strings are 'sfn', 'smi', and 'ali' for stoichiometric formula notation, (annotated) SMILES notation, and (unresolved) alias, respectively.
Example: For the CurlySMILES notation of the composite MEEP/ZrO2, consisting of poly[bis(methoxy-ethoxy-ethoxy)phosphazene] (MEEP) and zirconium dioxide

___ sNotation = '[Co+2].[O-]N(=O)=O{2}.O{6}'

the call

___ lstTypes = oNotation.type_components()

makes the assignment

___ lstTypes = \
___ ['smi','smi','smi','smi','smi','smi','smi','smi','smi']



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