pub enum AromaticityError {
KekulizationFailed {
reason: String,
},
InternalInvariantViolation {
reason: String,
},
}Expand description
Error from the RDKit-parity experimental aromaticity API.
Unlike assign_aromaticity_ex/
apply_aromaticity_ex (infallible, and
unchanged by this addition), this engine requires an explicit
kekulization step it does not control the success of, so its entry
points return Result rather than silently falling back to another
algorithm or panicking.
Variants§
KekulizationFailed
The input could not be reduced to a Kekulé form (no BondOrder::Aromatic
bonds), which this engine requires as a precondition – mirrors RDKit’s
own pipeline, where Kekulize always runs before setAromaticity.
InternalInvariantViolation
A post-computation sanity check failed (e.g. an aromatic bond with a non-aromatic endpoint atom) – should never happen for chemically valid input; surfaced as an error rather than a panic or a silently wrong result.
Trait Implementations§
Source§impl Clone for AromaticityError
impl Clone for AromaticityError
Source§fn clone(&self) -> AromaticityError
fn clone(&self) -> AromaticityError
1.0.0 (const: unstable) · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
source. Read moreSource§impl Debug for AromaticityError
impl Debug for AromaticityError
Source§impl Display for AromaticityError
impl Display for AromaticityError
impl Eq for AromaticityError
Source§impl Error for AromaticityError
impl Error for AromaticityError
1.30.0 · Source§fn source(&self) -> Option<&(dyn Error + 'static)>
fn source(&self) -> Option<&(dyn Error + 'static)>
1.0.0 · Source§fn description(&self) -> &str
fn description(&self) -> &str
use the Display impl or to_string()