Method atoms_label_compnt belongs to class Notation, the core class for managing a CurlySMILES notation.
| Module: | csm_notation.py |
| Method: | atoms_label_compnt(iCompnt) |
| Argument: |
iCompnt (index of component); type: integer; values: 1, 2,..., or nCompnt |
| Return: | 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. |
| Example: |
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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| © 2010 Axel Drefahl. All rights reserved. |
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