Method atoms_nbors_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_nbors_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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lstNbors, a list
with the count of neighbor atoms that an atom has in the
hydrogen-suppressed molecular graph. The counts are listed
in the order in which the atoms, for which the neighbors are counted,
occur in the component notation.
Hint: The count of adjacent hydrogen atoms is obtained with method
atoms_hcount_compnt.
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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
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lstNbors = oNotation.atoms_nbors_compnt(1)
makes the assignment
___
lstNbors = [1,3,1,2,2,2,1]
Notice that this notation encodes a fragment, in which the
silicon atom has an open bond to a halogen atom
that belongs to the fragment environment. The halogen atom is
not considered part of the molecular fragment and therefore
not counted.
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