httk.atomistic.models.formula.anonymous_string

Backend wrapping a raw canonical anonymous formula string.

Classes

AnonymousFormulaString

Wrap a canonical anonymous formula held as a plain string.

Module Contents

class httk.atomistic.models.formula.anonymous_string.AnonymousFormulaString(obj, **hints)[source]

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

Wrap a canonical anonymous formula held as a plain string.

Parameters:

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

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

property is_anonymous: bool[source]

Return whether the formula uses anonymous labels.

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

Return the anonymous coefficients as exact amounts.

unwrap()[source]

Return the original formula text.