Hydrocarbonator

An attempt at writing a parser for Single Chain Organic Compounds

Motivation: IUPAC uses a really systematic form of nomenclature for organic compounds, I figured that this could be somewhat implemented into a program. The reason for it being boiled all the way to single chain is because I still haven't thought of a way to make it able to detect and identify double cyclic or stacked compounds. Also I seriously needed to limit the scope for this if I wanted it to be finished by a certain deadline.

NOTE : Current Version (SCV3) Only detects and names pure hydrocarbons and not any functional groups.

Update: 28/12

I just found out that I accidentally recreated a formatting called SMILES Welp ig I now know that Im going to be recreating a fully SMILE compatible formatter in the near future :D

Running it:

For Setup/Install

git clone https://github.com/ShanTen/Hydrocarbonator/
cd Hydrocarbonator
init.bat 

use init.sh for non windows.

To Run it

python nm.py

Additional Features:

• Customizable terminal interface
• debug logger
• Caching

TODO:

• A better parseResult object
• Simplify Hydrogen counting
• Simplify Node Making
• Figure out hierarchy to get Cascading Unsaturation Naming
• regex-ify
• BUG [Critical]: Fix priority issues
• Add Caching (used bin file instead of db)
• Add Massive List of Examples

Result:

Some screenshots from the application