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NormalizationIssue

sdsforge_core::normalize

Enum NormalizationIssue 

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pub enum NormalizationIssue {
    InvalidSmiles,
    MultipleResolverCandidates,
    MultiFragmentStructure,
    FormulaMismatch,
    ChargeOrSaltPresent,
    UnsupportedPolymerOrMixture,
    StereochemistryNotFullyPreserved,
}

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InvalidSmiles

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MultipleResolverCandidates

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MultiFragmentStructure

A dot-disconnected structure (e.g. a salt or solvate) — reported, never silently reduced to its largest fragment. See docs/sdsforge-architecture.md: a salt/solvate/charged form may be the correct identity for the CAS number; picking the largest fragment could silently turn it into a different substance.

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FormulaMismatch

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ChargeOrSaltPresent

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UnsupportedPolymerOrMixture

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StereochemistryNotFullyPreserved

Trait Implementations§

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impl Clone for NormalizationIssue

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fn clone(&self) -> NormalizationIssue

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 Copy for NormalizationIssue

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impl Debug for NormalizationIssue

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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 NormalizationIssue

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impl PartialEq for NormalizationIssue

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fn eq(&self, other: &NormalizationIssue) -> 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 NormalizationIssue

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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<Q, K> Equivalent<K> for Q
where Q: Eq + ?Sized, K: Borrow<Q> + ?Sized,

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fn equivalent(&self, key: &K) -> bool

Checks if this value is equivalent to the given key. Read more
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impl<Q, K> Equivalent<K> for Q
where Q: Eq + ?Sized, K: Borrow<Q> + ?Sized,

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fn equivalent(&self, key: &K) -> bool

Compare self to key and return true if they are equal.
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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> Instrument for T

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fn instrument(self, span: Span) -> Instrumented<Self>

Instruments this type with the provided Span, returning an Instrumented wrapper. Read more
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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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fn into_either(self, into_left: bool) -> Either<Self, Self>

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more
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fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more
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const ALIGN: usize

The alignment of pointer.
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type Init = T

The type for initializers.
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unsafe fn init(init: <T as Pointable>::Init) -> usize

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Dereferences the given pointer. Read more
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Drops the object pointed to by the given pointer. Read more
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impl<T> PolicyExt for T
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fn and<P, B, E>(self, other: P) -> And<T, P>
where T: Sized + Policy<B, E>, P: Policy<B, E>,

Create a new Policy that returns Action::Follow only if self and other return Action::Follow. Read more
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fn or<P, B, E>(self, other: P) -> Or<T, P>
where T: Sized + Policy<B, E>, P: Policy<B, E>,

Create a new Policy that returns Action::Follow if either self or other returns Action::Follow. Read more
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type Error = Infallible

The type returned in the event of a conversion error.
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fn vzip(self) -> V

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