httk.atomistic.models.formula.diagnostics¶

Structured diagnostics produced while working with chemical formulas.

Classes¶

CompositionDiagnostic

Record a non-fatal issue encountered while projecting composition.

Module Contents¶

class httk.atomistic.models.formula.diagnostics.CompositionDiagnostic[source]¶

Record a non-fatal issue encountered while projecting composition.

Parameters:

code – The stable diagnostic code.
message – The human-readable diagnostic message.
subject – The composition subject involved, if any.
total – The calculated total, if applicable.
width – The precision width used for the diagnostic, if applicable.

code: str[source]¶

message: str[source]¶

subject: str | None = None[source]¶

total: fractions.Fraction | None = None[source]¶

width: fractions.Fraction | None = None[source]¶