CurlySMILES class Notation: method atoms_hcount_compnt

Method atoms_hcount_compnt belongs to class Notation, the core class for managing a CurlySMILES notation.

Module: csm_notation.py
Method: atoms_hcount_compnt(iCompnt)
Argument: iCompnt (index of component);
type: integer;
values: 1, 2,..., or nCompnt
Return: lstHcount, a list with the count of hydrogen atoms adjacent to the non-hydrogen atoms in the component notation. The counts are listed in the order in which the non-hydrogen atoms occur in the component notation.
Example: For the one-component CurlySMILES notation

___ sNotation = 'CC(C)CO[SiH]{-X}C'

the call

___ lstHcount = oNotation.atoms_hcount_compnt(1)

makes the assignment

___ lstHcount = [3,1,3,2,0,1,3]

Please, email comments and suggestions to axeleratio@yahoo.com
Custom Search