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EmbedTorsion

sci_form::forcefield::bounds_ff

Struct EmbedTorsion

pub struct EmbedTorsion {
    pub idx: [usize; 4],
    pub weight: f32,
    pub n_fold: f32,
    pub gamma: f32,
}

Expand description

Pre-computed torsion constraint for 4D embedding.

Fields§

§idx: [usize; 4]§weight: f32§n_fold: f32§gamma: f32

Auto Trait Implementations§

impl Freeze for EmbedTorsion

impl RefUnwindSafe for EmbedTorsion

impl Send for EmbedTorsion

impl Sync for EmbedTorsion

impl Unpin for EmbedTorsion

impl UnsafeUnpin for EmbedTorsion

impl UnwindSafe for EmbedTorsion

Blanket Implementations§

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

fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

impl<T> Borrow<T> for T
where T: ?Sized,

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Immutably borrows from an owned value. Read more

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Returns the argument unchanged.

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

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Calls U::from(self).

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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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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.

type Init = T

The type for initializers.

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Initializes a with the given initializer. Read more

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unsafe fn drop(ptr: usize)

Drops the object pointed to by the given pointer. Read more

impl<T> Same for T

type Output = T

Should always be Self

impl<SS, SP> SupersetOf<SS> for SP
where SS: SubsetOf<SP>,

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

The inverse inclusion map: attempts to construct self from the equivalent element of its superset. Read more

fn is_in_subset(&self) -> bool

Checks if self is actually part of its subset T (and can be converted to it).

fn to_subset_unchecked(&self) -> SS

Use with care! Same as self.to_subset but without any property checks. Always succeeds.

fn from_subset(element: &SS) -> SP

The inclusion map: converts self to the equivalent element of its superset.

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where U: Into<T>,

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Performs the conversion.

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