pymolecule-parser 0.0.0

A parser for molecule formula. Nested brackets are supported.

pymolecule-parser: A parser for a molecule formula that supports nested brackets

Installation

pip install pymolecule-parser

Usage

from pymolecule_parser import parse

parse("H2O") # {'H': 2, 'O': 1}
parse("3H2O") # {'H': 6, 'O': 3}
parse("H2O2(OH)2") # {'H': 4, 'O': 4}
parse("[Co(NH3)6]Cl3") # {'Co': 1, 'N': 6, 'H': 18, 'Cl': 3}

Limitations

The following notations are not supported.

• Ion notations
  • For example, [Cu(NH3)4]2+ is not supported. Use Cu(NH3)4 instead.
• middle dot ·
  • For example, CuSO4·5H2O is not supported. Use CuSO4(H2O)5 instead.

License

Apache License 2.0

Author

Kohei Noda