Package cinfony :: Module webel :: Class Smarts

Class Smarts

object --+
         |
        Smarts

A Smarts Pattern Matcher

Required parameters:
   smartspattern

Methods:
   match(molecule)

Example:
>>> mol = readstring("smi","CCN(CC)CC") # triethylamine
>>> smarts = Smarts("[#6][#6]") # Matches an ethyl group
>>> smarts.match(mol) 
True

Instance Methods

__init__(self, smartspattern)
Initialise with a SMARTS pattern.

source code

match(self, molecule)
Does a SMARTS pattern match a particular molecule?

source code

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties
Inherited from `object`: `__class__`

Method Details

init(self, smartspattern)
(Constructor)

source code

Initialise with a SMARTS pattern.

Overrides: object.__init__

match(self, molecule)

source code

Does a SMARTS pattern match a particular molecule?

Required parameters:
   molecule

Class Smarts

__init__(self, smartspattern) (Constructor)

match(self, molecule)

init(self, smartspattern)
(Constructor)