carbonpy 0.52

A Python package which gives IUPAC names of chemical compounds, classifies them and more.

Carbonpy

A module which names straight/branched chain organic compounds, suggests conversions from one type to another, etc.

Usage-

Naming compounds-

Instantiate the class Namer() , which takes a string which contains the hydrocarbon (condensed form) and then call it with a method named analyser() to get the IUPAC name of the compound.

Example:

a = Namer('CH~CH')
a.analyser()
>>> Ethyne

Due to limitations in expressing a hydrocarbon easily, we have selected this path
Single bond:- -
Double bond:- =
Triple bond:- ~
Branches:- -([compound] (more branches...))([another branch from same carbon])- and so on
(Branches support coming soon)

You can also get the molecular formula of the compound:

compound = Namer('CH~C-C~C-CH=C=C=CH2')
compound.molecular_formula()
>>> C₈H₄

Example- 2-Methylpropane would be expressed as (once branches are supported):

a = Namer('CH3-CH(CH3)-CH3').analyser()
>>> 2-Methylpropane

Will support naming with functional groups in the future.