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Method mf_compnt belongs to class
Notation, the core class for managing
a CurlySMILES notation. A call to
mf_compnt returns the
molecular formula for a component of the
notation. The formula format is based on the Hill convention,
writing C first, H second, and then all other chemical elements in
alphabetical order of their atomic symbols. A stoichiometric integer,
if greater than 1, follows the symbol. A cation or anion formula,
ends with an appended charge notation,
(n+) or
(n-), respectively, where
n > 0.
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Module file:
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csm_notation.py
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Method:
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mf_compnt(iCompnt)
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Argument:
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iCompnt (index of component);
type: integer
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Return:
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sMF, a string
with the molecular formula of the iCompnt-th
component or None, if component notation
does not evaluate to a molecular formula.
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Example:
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Cobalt(II) nitrate hexahydrate,
Co(NO3)2·H2O |
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sNotation = "[Co+2].[O-]N(=O)=O{2}.O{6}"
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| iCompnt | sMF |
| 1 | Co(2+) |
| 2 | NO3(1-) |
| 3 | NO3(1-) |
| 4 | H2O |
| 5 | H2O |
| 6 | H2O |
| 7 | H2O |
| 8 | H2O |
| 9 | H2O |
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