emzed.chemistry.formula_parser module

emzed.chemistry.formula_parser.join_formula(cc, delim='')

emzed.chemistry.formula_parser.parse_formula(mf, re=re.compile('\\s'))

Returns Counter mapping (symbol, sassnumber) -> sount corresponding to mf. For symbols in mf, where no massnumber is specified, this funcion returns None as massnumber.

Eg.:

>>> parse_formula("[13]C2C4H")
Counter({('C', None): 4, ('C', 13): 2, ('H', None): 1})