httk.atomistic.models.formula.record

Backend projecting a normalized composition storage record.

Classes

RecordComposition

Read a composition from a NormalizedCompositionRecord.

Module Contents

class httk.atomistic.models.formula.record.RecordComposition(obj, **hints)

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

Read a composition from a NormalizedCompositionRecord.

Parameters:

• obj (httk.atomistic.storage.records.NormalizedCompositionRecord) – The normalized-composition record to wrap.

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

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

Return the stored elemental amounts.

property uncertainties: tuple[tuple[str, fractions.Fraction | None], ...]

Return the stored amount precisions.

property complete: bool

Return whether the stored composition is complete.

property exact: bool

Return whether the stored amounts are exact.

property normalized: bool

Return whether the stored composition is normalized.

property normalization_status: str

Return the stored composition’s normalization status.

property diagnostics: tuple[httk.atomistic.models.formula.diagnostics.CompositionDiagnostic, ...]

Return diagnostics stored with the composition.

unwrap()

Return the original normalized-composition record.