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AromaticityError

Enum AromaticityError 

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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.

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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.

Fields

§reason: String

Human-readable detail from the underlying chematic_core::KekuleError.

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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.

Fields

§reason: String

Human-readable detail of which invariant failed.

Trait Implementations§

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impl Clone for AromaticityError

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fn clone(&self) -> AromaticityError

Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§

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

Performs copy-assignment from source. Read more
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impl Debug for AromaticityError

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

Formats the value using the given formatter. Read more
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impl Display for AromaticityError

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

Formats the value using the given formatter. Read more
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impl Eq for AromaticityError

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impl Error for AromaticityError

1.30.0 · Source§

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

Returns the lower-level source of this error, if any. Read more
1.0.0 · Source§

fn description(&self) -> &str

👎Deprecated since 1.42.0:

use the Display impl or to_string()

1.0.0 · Source§

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

👎Deprecated since 1.33.0:

replaced by Error::source, which can support downcasting

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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. Read more
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impl PartialEq for AromaticityError

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

Equality operator ==. Read more
1.0.0 (const: unstable) · Source§

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

Inequality operator !=. Read more
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impl StructuralPartialEq for AromaticityError

Auto Trait Implementations§

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impl<T> Any for T
where T: 'static + ?Sized,

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more
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impl<T> BorrowMut<T> for T
where T: ?Sized,

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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more
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impl<T> CloneToUninit for T
where T: Clone,

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
Performs copy-assignment from self to dest. Read more
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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into<U> for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

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impl<T> ToOwned for T
where T: Clone,

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type Owned = T

The resulting type after obtaining ownership.
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fn to_owned(&self) -> T

Creates owned data from borrowed data, usually by cloning. Read more
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fn clone_into(&self, target: &mut T)

Uses borrowed data to replace owned data, usually by cloning. Read more
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impl<T> ToString for T
where T: Display + ?Sized,

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fn to_string(&self) -> String

Converts the given value to a String. Read more
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impl<T, U> TryFrom<U> for T
where U: Into<T>,

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type Error = Infallible

The type returned in the event of a conversion error.
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fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.
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impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

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type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.
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fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.