httk.atomistic.models.formula.formula_string

Backend wrapping a raw canonical reduced formula string.

Classes

FormulaString

Wrap a canonical reduced formula held as a plain string.

Module Contents

class httk.atomistic.models.formula.formula_string.FormulaString(obj, **hints)

Bases: httk.atomistic.models.formula.backend.ChemicalFormulaBackend

Wrap a canonical reduced formula held as a plain string.

Parameters:

  • obj (str) – The canonical reduced formula text.

  • **hints (Any) – Backend-selection hints.

property amounts: tuple[tuple[str, fractions.Fraction], Ellipsis]

Return the formula coefficients as exact amounts.

unwrap()

Return the original formula text.