TemplateView

Struct TemplateView 

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pub struct TemplateView<'a> { /* private fields */ }
Expand description

Lightweight wrapper granting read-only access to a stored template.

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impl<'a> TemplateView<'a>

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pub fn new(inner: &'a InternalTemplate) -> Self

Creates a new view from the internal store entry.

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  • inner - Reference to the cached template.
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pub fn name(&self) -> &'a str

Returns the template’s display name.

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The literal name string stored in the schema.

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pub fn standard_name(&self) -> StandardResidue

Reports the standard residue enum associated with the template.

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The StandardResidue discriminant stored in metadata.

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pub fn charge(&self) -> i32

Returns the net integer charge of the residue.

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Signed charge in electrons.

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pub fn heavy_atoms(&self) -> impl Iterator<Item = (&'a str, Element, Point)>

Iterates heavy atoms with their elements and reference coordinates.

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An iterator yielding (name, element, Point) tuples preserving declaration order.

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pub fn hydrogens( &self, ) -> impl Iterator<Item = (&'a str, Point, impl Iterator<Item = &'a str>)>

Iterates hydrogens, their coordinates, and anchor names.

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An iterator producing (name, Point, anchor_iter) tuples where anchor_iter traverses the heavy-atom anchor names as &str.

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pub fn bonds(&self) -> impl Iterator<Item = (&'a str, &'a str, BondOrder)>

Iterates bonds as name pairs plus their bond order.

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An iterator over (atom1, atom2, BondOrder) tuples mirroring the schema definition.

Trait Implementations§

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impl<'a> Clone for TemplateView<'a>

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fn clone(&self) -> TemplateView<'a>

Returns a duplicate of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl<'a> Debug for TemplateView<'a>

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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<'a> Copy for TemplateView<'a>

Auto Trait Implementations§

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impl<'a> Freeze for TemplateView<'a>

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impl<'a> RefUnwindSafe for TemplateView<'a>

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impl<'a> Send for TemplateView<'a>

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impl<'a> Sync for TemplateView<'a>

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impl<'a> Unpin for TemplateView<'a>

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impl<'a> UnwindSafe for TemplateView<'a>

Blanket 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> Same for T

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type Output = T

Should always be Self
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impl<SS, SP> SupersetOf<SS> for SP
where SS: SubsetOf<SP>,

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fn to_subset(&self) -> Option<SS>

The inverse inclusion map: attempts to construct self from the equivalent element of its superset. Read more
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fn is_in_subset(&self) -> bool

Checks if self is actually part of its subset T (and can be converted to it).
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fn to_subset_unchecked(&self) -> SS

Use with care! Same as self.to_subset but without any property checks. Always succeeds.
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fn from_subset(element: &SS) -> SP

The inclusion map: converts self to the equivalent element of its superset.
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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, 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.
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impl<V, T> VZip<V> for T
where V: MultiLane<T>,

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fn vzip(self) -> V