Struct SlaterDeterminantRepAnalysisResultBuilder Copy item path

impl<'a, G, T, SC> SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where G: SymmetryGroupProperties + Clone + Clone, G::CharTab: SubspaceDecomposable<T>, T: ComplexFloat + Lapack + Clone, SC: StructureConstraint + Display + Clone, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug,

pub fn parameters( &mut self, value: &'a SlaterDeterminantRepAnalysisParams<<T as ComplexFloat>::Real>, ) -> &mut Self

The control parameters used to obtain this set of Slater determinant representation analysis results.

pub fn determinant( &mut self, value: &'a SlaterDeterminant<'a, T, SC>, ) -> &mut Self

The Slater determinant being analysed.

pub fn group(&mut self, value: G) -> &mut Self

The group used for the representation analysis.

pub fn determinant_symmetry( &mut self, value: Result<<G::CharTab as SubspaceDecomposable<T>>::Decomposition, String>, ) -> &mut Self

The deduced overall symmetry of the determinant.

pub fn mo_symmetries( &mut self, value: Option<Vec<Vec<Option<<G::CharTab as SubspaceDecomposable<T>>::Decomposition>>>>, ) -> &mut Self

The deduced symmetries of the molecular orbitals constituting the determinant, if required.

pub fn mo_symmetry_projections( &mut self, value: Option<Vec<Vec<Option<Vec<(<<G as CharacterProperties>::CharTab as CharacterTable>::RowSymbol, Complex<f64>)>>>>>, ) -> &mut Self

The deduced symmetry projections of the molecular orbitals constituting the determinant, if required.

pub fn mo_mirror_parities( &mut self, value: Option<Vec<Vec<Option<IndexMap<SymmetryClassSymbol<SymmetryOperation>, MirrorParity>>>>>, ) -> &mut Self

The deduced mirror parities of the molecular orbitals constituting the determinant, if required.

pub fn mo_symmetries_thresholds( &mut self, value: Option<Vec<Vec<(Option<T>, Option<T>)>>>, ) -> &mut Self

The overlap eigenvalues above and below the linear independence threshold for each molecular orbital symmetry deduction.

pub fn determinant_density_symmetries( &mut self, value: Option<Vec<(String, Result<<G::CharTab as SubspaceDecomposable<T>>::Decomposition, String>)>>, ) -> &mut Self

The deduced symmetries of the various densities constructible from the determinant, if required. In each tuple, the first element gives a description of the density corresponding to the symmetry result.

pub fn mo_density_symmetries( &mut self, value: Option<Vec<Vec<Option<<G::CharTab as SubspaceDecomposable<T>>::Decomposition>>>>, ) -> &mut Self

The deduced symmetries of the total densities of the molecular orbitals constituting the determinant, if required.

pub fn build( &self, ) -> Result<SlaterDeterminantRepAnalysisResult<'a, G, T, SC>, SlaterDeterminantRepAnalysisResultBuilderError>

Builds a new SlaterDeterminantRepAnalysisResult.

§Errors

If a required field has not been initialized.

Trait Implementations§

impl<'a, G, T, SC> Clone for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where G: SymmetryGroupProperties + Clone + Clone, G::CharTab: SubspaceDecomposable<T> + Clone, T: ComplexFloat + Lapack + Clone, SC: StructureConstraint + Display + Clone, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug,

fn clone(&self) -> SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>

Returns a duplicate 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, G, T, SC> Default for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where G: SymmetryGroupProperties + Clone + Clone, G::CharTab: SubspaceDecomposable<T>, T: ComplexFloat + Lapack + Clone, SC: StructureConstraint + Display + Clone, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug,

fn default() -> Self

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

Auto Trait Implementations§

impl<'a, G, T, SC> Freeze for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where <T as ComplexFloat>::Real: Sized, <G as CharacterProperties>::CharTab: Sized, G: Freeze, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Freeze,

impl<'a, G, T, SC> RefUnwindSafe for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where <T as ComplexFloat>::Real: Sized + RefUnwindSafe, <G as CharacterProperties>::CharTab: Sized, G: RefUnwindSafe, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: RefUnwindSafe, SC: RefUnwindSafe, T: RefUnwindSafe, <G as CharacterProperties>::RowSymbol: RefUnwindSafe,

impl<'a, G, T, SC> Send for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where <T as ComplexFloat>::Real: Sized + Sync, <G as CharacterProperties>::CharTab: Sized, G: Send, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Send, SC: Sync, T: Sync + Send, <G as CharacterProperties>::RowSymbol: Send,

impl<'a, G, T, SC> Sync for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where <T as ComplexFloat>::Real: Sized + Sync, <G as CharacterProperties>::CharTab: Sized, G: Sync, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Sync, SC: Sync, T: Sync, <G as CharacterProperties>::RowSymbol: Sync,

impl<'a, G, T, SC> Unpin for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where <T as ComplexFloat>::Real: Sized, <G as CharacterProperties>::CharTab: Sized, G: Unpin, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Unpin, T: Unpin, <G as CharacterProperties>::RowSymbol: Unpin,

impl<'a, G, T, SC> UnwindSafe for SlaterDeterminantRepAnalysisResultBuilder<'a, G, T, SC>
where <T as ComplexFloat>::Real: Sized + RefUnwindSafe, <G as CharacterProperties>::CharTab: Sized, G: UnwindSafe, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: UnwindSafe, SC: RefUnwindSafe, T: RefUnwindSafe + UnwindSafe, <G as CharacterProperties>::RowSymbol: UnwindSafe,

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,

fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

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

fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

impl<T> CloneToUninit for T
where T: Clone,

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

impl<T> Conv for T

fn conv<T>(self) -> T
where Self: Into<T>,

Converts self into T using Into<T>. Read more

impl<T> FmtForward for T

fn fmt_binary(self) -> FmtBinary<Self>
where Self: Binary,

Causes self to use its Binary implementation when Debug-formatted.

fn fmt_display(self) -> FmtDisplay<Self>
where Self: Display,

Causes self to use its Display implementation when Debug-formatted.

fn fmt_lower_exp(self) -> FmtLowerExp<Self>
where Self: LowerExp,

Causes self to use its LowerExp implementation when Debug-formatted.

fn fmt_lower_hex(self) -> FmtLowerHex<Self>
where Self: LowerHex,

Causes self to use its LowerHex implementation when Debug-formatted.

fn fmt_octal(self) -> FmtOctal<Self>
where Self: Octal,

Causes self to use its Octal implementation when Debug-formatted.

fn fmt_pointer(self) -> FmtPointer<Self>
where Self: Pointer,

Causes self to use its Pointer implementation when Debug-formatted.

fn fmt_upper_exp(self) -> FmtUpperExp<Self>
where Self: UpperExp,

Causes self to use its UpperExp implementation when Debug-formatted.

fn fmt_upper_hex(self) -> FmtUpperHex<Self>
where Self: UpperHex,

Causes self to use its UpperHex implementation when Debug-formatted.

fn fmt_list(self) -> FmtList<Self>
where &'a Self: for<'a> IntoIterator,

Formats each item in a sequence. Read more

impl<T> From<T> for T

fn from(t: T) -> T

Returns the argument unchanged.

impl<T> Instrument for T

fn instrument(self, span: Span) -> Instrumented<Self>

Instruments this type with the provided [Span], returning an Instrumented wrapper. Read more

fn in_current_span(self) -> Instrumented<Self>

Instruments this type with the current Span, returning an Instrumented wrapper. Read more

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

fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

impl<T> IntoEither for T

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

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

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

fn pipe<R>(self, func: impl FnOnce(Self) -> R) -> R
where Self: Sized,

Pipes by value. This is generally the method you want to use. Read more

fn pipe_ref<'a, R>(&'a self, func: impl FnOnce(&'a Self) -> R) -> R
where R: 'a,

Borrows self and passes that borrow into the pipe function. Read more

fn pipe_ref_mut<'a, R>(&'a mut self, func: impl FnOnce(&'a mut Self) -> R) -> R
where R: 'a,

Mutably borrows self and passes that borrow into the pipe function. Read more

fn pipe_borrow<'a, B, R>(&'a self, func: impl FnOnce(&'a B) -> R) -> R
where Self: Borrow, B: 'a + ?Sized, R: 'a,

Borrows self, then passes self.borrow() into the pipe function. Read more

fn pipe_borrow_mut<'a, B, R>( &'a mut self, func: impl FnOnce(&'a mut B) -> R, ) -> R
where Self: BorrowMut, B: 'a + ?Sized, R: 'a,

Mutably borrows self, then passes self.borrow_mut() into the pipe function. Read more

fn pipe_as_ref<'a, U, R>(&'a self, func: impl FnOnce(&'a U) -> R) -> R
where Self: AsRef, U: 'a + ?Sized, R: 'a,

Borrows self, then passes self.as_ref() into the pipe function.

fn pipe_as_mut<'a, U, R>(&'a mut self, func: impl FnOnce(&'a mut U) -> R) -> R
where Self: AsMut, U: 'a + ?Sized, R: 'a,

Mutably borrows self, then passes self.as_mut() into the pipe function.

fn pipe_deref<'a, T, R>(&'a self, func: impl FnOnce(&'a T) -> R) -> R
where Self: Deref<Target = T>, T: 'a + ?Sized, R: 'a,

Borrows self, then passes self.deref() into the pipe function.

fn pipe_deref_mut<'a, T, R>( &'a mut self, func: impl FnOnce(&'a mut T) -> R, ) -> R
where Self: DerefMut<Target = T> + Deref, T: 'a + ?Sized, R: 'a,

Mutably borrows self, then passes self.deref_mut() into the pipe function.

impl<T> Pointable for T

const ALIGN: usize

The alignment of pointer.

type Init = T

The type for initializers.

unsafe fn init(init: <T as Pointable>::Init) -> usize

Initializes a with the given initializer. Read more

unsafe fn deref<'a>(ptr: usize) -> &'a T

Dereferences the given pointer. Read more

unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T

Mutably dereferences the given pointer. Read more

unsafe fn drop(ptr: usize)

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

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

fn and<P, B, E>(self, other: P) -> And<T, P>
where T: Policy<B, E>, P: Policy<B, E>,

Create a new Policy that returns [Action::Follow] only if self and other return Action::Follow. Read more

fn or<P, B, E>(self, other: P) -> Or<T, P>
where T: Policy<B, E>, P: Policy<B, E>,

Create a new Policy that returns [Action::Follow] if either self or other returns Action::Follow. 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.

impl<T> Tap for T

fn tap(self, func: impl FnOnce(&Self)) -> Self

Immutable access to a value. Read more

fn tap_mut(self, func: impl FnOnce(&mut Self)) -> Self

Mutable access to a value. Read more

fn tap_borrow(self, func: impl FnOnce(&B)) -> Self
where Self: Borrow, B: ?Sized,

Immutable access to the Borrow of a value. Read more

fn tap_borrow_mut(self, func: impl FnOnce(&mut B)) -> Self
where Self: BorrowMut, B: ?Sized,

Mutable access to the BorrowMut of a value. Read more

fn tap_ref<R>(self, func: impl FnOnce(&R)) -> Self
where Self: AsRef<R>, R: ?Sized,

Immutable access to the AsRef<R> view of a value. Read more

fn tap_ref_mut<R>(self, func: impl FnOnce(&mut R)) -> Self
where Self: AsMut<R>, R: ?Sized,

Mutable access to the AsMut<R> view of a value. Read more

fn tap_deref<T>(self, func: impl FnOnce(&T)) -> Self
where Self: Deref<Target = T>, T: ?Sized,

Immutable access to the Deref::Target of a value. Read more

fn tap_deref_mut<T>(self, func: impl FnOnce(&mut T)) -> Self
where Self: DerefMut<Target = T> + Deref, T: ?Sized,

Mutable access to the Deref::Target of a value. Read more

fn tap_dbg(self, func: impl FnOnce(&Self)) -> Self

Calls .tap() only in debug builds, and is erased in release builds.

fn tap_mut_dbg(self, func: impl FnOnce(&mut Self)) -> Self

Calls .tap_mut() only in debug builds, and is erased in release builds.

fn tap_borrow_dbg(self, func: impl FnOnce(&B)) -> Self
where Self: Borrow, B: ?Sized,

Calls .tap_borrow() only in debug builds, and is erased in release builds.

fn tap_borrow_mut_dbg(self, func: impl FnOnce(&mut B)) -> Self
where Self: BorrowMut, B: ?Sized,

Calls .tap_borrow_mut() only in debug builds, and is erased in release builds.

fn tap_ref_dbg<R>(self, func: impl FnOnce(&R)) -> Self
where Self: AsRef<R>, R: ?Sized,

Calls .tap_ref() only in debug builds, and is erased in release builds.

fn tap_ref_mut_dbg<R>(self, func: impl FnOnce(&mut R)) -> Self
where Self: AsMut<R>, R: ?Sized,

Calls .tap_ref_mut() only in debug builds, and is erased in release builds.

fn tap_deref_dbg<T>(self, func: impl FnOnce(&T)) -> Self
where Self: Deref<Target = T>, T: ?Sized,

Calls .tap_deref() only in debug builds, and is erased in release builds.

fn tap_deref_mut_dbg<T>(self, func: impl FnOnce(&mut T)) -> Self
where Self: DerefMut<Target = T> + Deref, T: ?Sized,

Calls .tap_deref_mut() only in debug builds, and is erased in release builds.

impl<T> ToOwned for T
where T: Clone,

type Owned = T

The resulting type after obtaining ownership.

fn to_owned(&self) -> T

Creates owned data from borrowed data, usually by cloning. Read more

fn clone_into(&self, target: &mut T)

Uses borrowed data to replace owned data, usually by cloning. Read more

impl<T> TryConv for T

fn try_conv<T>(self) -> Result<T, Self::Error>
where Self: TryInto<T>,

Attempts to convert self into T using TryInto<T>. Read more

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

type Error = Infallible

The type returned in the event of a conversion error.

fn try_from(value: U) -> Result<T, <T as TryFrom>::Error>

Performs the conversion.

impl<T, U> TryInto for T
where U: TryFrom<T>,

type Error = >::Error

The type returned in the event of a conversion error.

fn try_into(self) -> Result<U, >::Error>

Performs the conversion.

fn with_subscriber<S>(self, subscriber: S) -> WithDispatch<Self>
where S: Into<Dispatch>,

Attaches the provided Subscriber to this type, returning a [WithDispatch] wrapper. Read more

fn with_current_subscriber(self) -> WithDispatch<Self>

Attaches the current default Subscriber to this type, returning a [WithDispatch] wrapper. Read more

impl<T> ErasedDestructor for T
where T: 'static,