Method atoms_label_compnt belongs to
class Notation, the core class for managing
a CurlySMILES notation.
Module:
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csm_notation.py
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Method:
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atoms_label_compnt(iCompnt)
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Argument:
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iCompnt (index of component);
type: integer;
values: 1,
2,..., or
nCompnt
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Return:
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lstLabel, a list
of integers encoding isotopical labels associated with
specific atoms. The assignment is None
for non-labelled atomic symbols, representing atoms with the
natural nuclide composition. The integers occur in the order of
the corresponding atomic symbols in the component notation.
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Example:
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For the CurlySMILES notation of
[32P]trimethylphosphane oxide
___
sNotation = 'O=[32P](C)(C)C'
the call
___
lstLabel = oNotation.atoms_label_compnt(1)
makes the assignment
___
lstLabel = [None,32,None,None,None]
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