httk.atomistic.models.formula.formulatype_string

Backend wrapping a raw canonical anonymous formula string.

Classes

FormulatypeString

Wrap a canonical anonymous formula held as a plain string.

Module Contents

class httk.atomistic.models.formula.formulatype_string.FormulatypeString(obj, **hints)[source]

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

Wrap a canonical anonymous formula held as a plain string.

The canonical class name is FormulatypeString; the legacy AnonymousFormulaString name remains available as a package-internal alias.

Parameters:

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

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

property is_anonymous: bool

Return whether the formula uses anonymous labels.

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

Return the anonymous coefficients as exact amounts.

unwrap()[source]

Return the original formula text.