httk.atomistic.models.formula.formula_view

Eager reduced-formula presentation view.

Classes

ChemicalFormulaView

Present a complete composition as an eager canonical reduced formula.

Module Contents

class httk.atomistic.models.formula.formula_view.ChemicalFormulaView(obj, **hints)

Bases: httk.atomistic.models.formula.view_base.ChemicalFormulaViewBase, httk.atomistic.models.formula.formula.ChemicalFormula

Present a complete composition as an eager canonical reduced formula.

Parameters:

• obj (httk.atomistic.models.formula.like.ChemicalFormulaLike) – The chemical-formula-like object to present.

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

property amounts

Return the presented elemental amounts.

property uncertainties

Return the presented amount precisions.

property complete

Return whether the presented composition is complete.

property exact

Return whether the presented amounts are exact.

property normalized

Return whether the presented composition is normalized.

property normalization_status

Return the presented composition’s normalization status.

property diagnostics

Return diagnostics associated with the presented composition.

property is_anonymous

Return whether this formula uses anonymous labels.

unview()

Return the presented formula as a standalone value.

Returns:

The canonical reduced formula value.

Return type:

httk.atomistic.models.formula.formula.ChemicalFormula

unwrap()

Return the raw object behind the backend.

Returns:

The unwrapped source object.

Return type:

Any