Enum StereoGeometryError 

pub enum StereoGeometryError {
    DuplicateSlotId(u32),
    UnknownLigandId(u32),
    MismatchedLigandSet,
}

Fail-closed errors for this module. No panics, no silent modulo-wrapping, no lossy fallback for out-of-range/duplicate/unmapped ligand ids anywhere in this module.

Variants

DuplicateSlotId(u32)

The same raw ligand id appeared in two (or more) slots of a configuration – a data-integrity problem, not a valid 4-distinct- ligand arrangement. Also returned by [StereoConfiguration::renumber] when a non-injective id_map creates a duplicate that wasn’t in the original configuration – reusing this variant rather than adding a separate “renumbering created a duplicate” one, since the resulting state is identical either way (two slots now share one id) and every caller’s fail-closed handling is the same regardless of which operation produced it.

UnknownLigandId(u32)

[StereoConfiguration::renumber]’s id_map had no answer for a slot’s id.

MismatchedLigandSet

remap_tetrahedral_parity’s original and canonical arrays don’t name the same 4 distinct ids (as a set) – e.g. a foreign id present in one but not the other. Computing a parity flip by comparing canonical representatives is only meaningful when both arrays are genuine permutations of the same 4 ids; without this check, two arrays naming different id sets would (correctly, but meaninglessly) canonicalize to unequal representatives, which the parity computation would misread as “needs a flip” – a confident-looking wrong answer for malformed input, not the honest “can’t tell” this variant exists to report instead.

Trait Implementations

impl Clone for StereoGeometryError

fn clone(&self) -> StereoGeometryError

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Copy for StereoGeometryError

impl Debug for StereoGeometryError

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

Formats the value using the given formatter.

impl Display for StereoGeometryError

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

Formats the value using the given formatter.

impl Eq for StereoGeometryError

impl Error for StereoGeometryError

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.

impl PartialEq for StereoGeometryError

fn eq(&self, other: &StereoGeometryError) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl StructuralPartialEq for StereoGeometryError