chemparse 0.1.2

Chemical formula parser

chemparse

A lightweight package for parsing chemical formula strings into python dictionaries.

Features

• Convert a chemical formula string into a python dictionary.
  • example: "CH4" returns {"C":1.0, "H":4.0}
• Handles fractional stoichiometry.
  • example: "C1.5O3" returns {"C":1.5, "O":3.0}
  • example: "H2e-1O1e-1" returns {"H":0.2, "O":0.1}
• Handles groups with parentheses.
  • example: "(CH3)2(CH2)4" returns {"C":6.0, "H":14.0}
  • Note: chemparse currently only handles non-nested paretheses. A formula with nested parentheses like "CH3(C2(CH3)2)3CH3" will not work properly.

Installation

Install chemparse with pip:

$ pip install chemparse

Usage

Import chemparse in python and use the parse_formula function:

import chemparse

print(chemparse.parse_formula("C6H12O6"))