Class Smarts

source code

object --+
         |
        Smarts

A Smarts Pattern Matcher

Required parameters:
   smartspattern

Methods:
   findall(molecule)

Example:
>>> mol = readstring("smi","CCN(CC)CC") # triethylamine
>>> smarts = Smarts("[#6][#6]") # Matches an ethyl group
>>> print smarts.findall(mol)
[(1, 2), (4, 5), (6, 7)]

The numbers returned are the indices (starting from 1) of the atoms
that match the SMARTS pattern. In this case, there are three matches
for each of the three ethyl groups in the molecule.

Find all matches of the SMARTS pattern to a particular molecule.

Required parameters:
   molecule