Source code for httk.atomistic.models.formula.diagnostics

"""Structured diagnostics produced while working with chemical formulas."""

from dataclasses import dataclass
from fractions import Fraction


@dataclass(frozen=True)
[docs] class CompositionDiagnostic: """Record a non-fatal issue encountered while projecting composition. :param code: The stable diagnostic code. :param message: The human-readable diagnostic message. :param subject: The composition subject involved, if any. :param total: The calculated total, if applicable. :param width: The precision width used for the diagnostic, if applicable. """
[docs] code: str
[docs] message: str
[docs] subject: str | None = None
[docs] total: Fraction | None = None
[docs] width: Fraction | None = None