Struct qsym2 :: target :: vibration :: VibrationalCoordinateBuilder Copy item path

impl<'a, T> VibrationalCoordinateBuilder<'a, T>
where T: ComplexFloat + Lapack + Clone,

pub fn mol(&mut self, value: &'a Molecule) -> &mut Self

The associated molecule.

pub fn frequency(&mut self, value: T) -> &mut Self

The frequency of this vibration in $\mathrm{cm}^{-1}$.

pub fn coefficients(&mut self, value: Array1<T>) -> &mut Self

The coefficients describing this vibrational coordinate in terms of the local Cartesian coordinates.

pub fn threshold(&mut self, value: <T as ComplexFloat>::Real) -> &mut Self

The threshold for comparing vibrational coordinates.

pub fn build( &self, ) -> Result<VibrationalCoordinate<'a, T>, VibrationalCoordinateBuilderError>

Builds a new VibrationalCoordinate.

§Errors

If a required field has not been initialized.

Trait Implementations§

impl<'a, T> Clone for VibrationalCoordinateBuilder<'a, T>
where T: ComplexFloat + Lapack + Clone,

fn clone(&self) -> VibrationalCoordinateBuilder<'a, T>

Returns a copy of the value. Read more

1.0.0 · source§

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more

impl<'a, T> Default for VibrationalCoordinateBuilder<'a, T>
where T: ComplexFloat + Lapack + Clone,

fn default() -> Self

Returns the “default value” for a type. Read more

Auto Trait Implementations§

impl<'a, T> Freeze for VibrationalCoordinateBuilder<'a, T>
where T: Freeze, <T as ComplexFloat>::Real: Freeze,

impl<'a, T> RefUnwindSafe for VibrationalCoordinateBuilder<'a, T>
where T: RefUnwindSafe, <T as ComplexFloat>::Real: RefUnwindSafe,

impl<'a, T> Send for VibrationalCoordinateBuilder<'a, T>
where T: Send, <T as ComplexFloat>::Real: Send,

impl<'a, T> Sync for VibrationalCoordinateBuilder<'a, T>
where T: Sync, <T as ComplexFloat>::Real: Sync,

impl<'a, T> Unpin for VibrationalCoordinateBuilder<'a, T>
where T: Unpin, <T as ComplexFloat>::Real: Unpin,

impl<'a, T> UnwindSafe for VibrationalCoordinateBuilder<'a, T>
where T: UnwindSafe + RefUnwindSafe, <T as ComplexFloat>::Real: UnwindSafe,

Blanket Implementations§

impl<T> Any for T
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default unsafe fn clone_to_uninit(&self, dst: *mut T)

🔬This is a nightly-only experimental API. (clone_to_uninit)

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