Enum KekulizeError 

pub enum KekulizeError {
    OverValent(usize),
    UnknownValence(usize, u8),
    NonKekulizable(usize, usize),
    Exhausted(usize),
}

Why a structure could not be assigned a Kekulé form. Atom indices are in the caller’s (local) index space — the one BondAdjacency was built over.

Variants

OverValent(usize)

UnknownValence(usize, u8)

NonKekulizable(usize, usize)

Exhausted(usize)

Implementations

impl KekulizeError

pub fn remap_atoms(self, global: &[usize]) -> Self

Translate the reported atom index out of a local subgraph and back into the caller’s global numbering, where global[local] is the global index of local atom local.

kekulize necessarily speaks the index space of the BondAdjacency it was given, which for a selection is a local 0..n remapping. Every molar error names global atoms, so callers that remapped translate before letting the error escape.

Trait Implementations

impl Debug for KekulizeError

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Display for KekulizeError

fn fmt(&self, __formatter: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Error for KekulizeError

fn source(&self) -> Option<&(dyn Error + 'static)>

Returns the lower-level source of this error, if any.

fn description(&self) -> &str

👎Deprecated since 1.42.0:

use the Display impl or to_string()

fn cause(&self) -> Option<&dyn Error>

👎Deprecated since 1.33.0:

replaced by Error::source, which can support downcasting

fn provide<'a>(&'a self, request: &mut Request<'a>)

🔬This is a nightly-only experimental API. (error_generic_member_access)

Provides type-based access to context intended for error reports.