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FrameColumns

Struct FrameColumns 

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

Borrowed per-frame columns: coordinates and per-atom scalars.

Every accessor returns a slice of the model’s own AtomicConformation storage; nothing is copied. The borrow checker keeps the model alive and unmodified for 'a. Pointers handed across FFI from these slices carry the same rule, unenforced: they are valid until the model is dropped or its conformation is mutated.

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impl<'a> FrameColumns<'a>

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pub fn new(model: &'a Model) -> Result<Self, BoundaryError>

Borrow the per-frame columns of model, validating their lengths.

Prefer TopologyColumns::frame, which also checks that the frame belongs to a given topology snapshot.

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pub fn n_atoms(&self) -> u32

Number of atoms.

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pub fn x(&self) -> &'a [f32]

X coordinates (Å).

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pub fn y(&self) -> &'a [f32]

Y coordinates (Å).

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pub fn z(&self) -> &'a [f32]

Z coordinates (Å).

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pub fn occupancy(&self) -> Option<&'a [f32]>

Occupancy, if recorded.

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pub fn b_iso(&self) -> Option<&'a [f32]>

Isotropic B-factor, if recorded.

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pub fn confidence(&self) -> Option<&'a [f32]>

Per-atom confidence (e.g. pLDDT), if recorded.

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pub fn columns(&self) -> Vec<Column<'a>>

Every present per-frame column by stable name. Absent optional columns are omitted.

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pub fn positions(&self, layout: PositionLayout) -> GpuBuffer<'static>

Interleave x/y/z into one position buffer. Always an owned copy, since the model stores coordinates as separate SoA columns.

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impl<'a> Clone for FrameColumns<'a>

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

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<'a> Copy for FrameColumns<'a>

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impl Debug for FrameColumns<'_>

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

Formats the value using the given formatter. Read more

Auto Trait Implementations§

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impl<'a> Freeze for FrameColumns<'a>

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impl<'a> RefUnwindSafe for FrameColumns<'a>

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impl<'a> Send for FrameColumns<'a>

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impl<'a> Sync for FrameColumns<'a>

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impl<'a> Unpin for FrameColumns<'a>

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impl<'a> UnsafeUnpin for FrameColumns<'a>

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impl<'a> UnwindSafe for FrameColumns<'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> IntoEither for T

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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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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.