Struct bader::atoms::Atoms

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pub struct Atoms {
    pub lattice: Lattice,
    pub positions: Vec<[f64; 3]>,
    pub text: String,
    pub reduced_positions: Vec<[f64; 3]>,
}
Expand description

struct for containing the information about the atoms.

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§lattice: Lattice

The lattice of the structure.

§positions: Vec<[f64; 3]>

The positions of the atoms in cartesian coordinates.

§text: String

Text representation from the input file.

§reduced_positions: Vec<[f64; 3]>

The positions of the atoms in the LLL-reduced basis.

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impl Atoms

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pub fn new(lattice: Lattice, positions: Vec<[f64; 3]>, text: String) -> Self

Initialises the structure.

Auto Trait Implementations§

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impl RefUnwindSafe for Atoms

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impl Send for Atoms

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impl Sync for Atoms

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impl Unpin for Atoms

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impl UnwindSafe for Atoms

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

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fn type_id(&self) -> TypeId

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impl<T> Borrow<T> for Twhere 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 Twhere 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> 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 Twhere 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, U> TryFrom<U> for Twhere 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 Twhere 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.