Method numbof_atoms_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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numbof_atoms_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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nAtoms, an integer
with the number of atoms of the molecule encoded as hydrogen-suppressed
molecular graph in CurlySMILES.
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Example:
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For the one-component CurlySMILES notation
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sNotation = 'CC(C)CO[SiH]{-X}C'
the call
___
nAtoms = oNotation.numof_atoms_compnt(1)
makes the assignment
___
nAtoms = 7
Notice that neither the Si-adjacent hydrogen atom nor the halogen atom
is counted. The former is not part of the hydrogen-supressed molecular
graph and the latter belongs to the fragment environment, not to the
fragment itself.
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