Struct SpinorOrder

pub struct SpinorOrder {
    pub two_j: u32,
    pub even: bool,
    /* private fields */
}

Structure to contain information about the ordering of spinors of a certain rank.

Fields

two_j: u32

The angular momentum (times two) of the spinor Gaussians. This must be an odd integer.

even: bool

The spatial inversion parity of the spinor Gaussians: true if even under spatial inversion and false if odd.

Implementations

impl SpinorOrder

pub fn new(two_mjs: &[i32], even: bool) -> Result<Self, Error>

Constructs a new SpinorOrder structure from its constituting $2m_j$ values and a specified spatial parity.

pub fn increasingm(two_j: u32, even: bool) -> Self

Constructs a new SpinorOrder structure for a specified angular momentum with increasing-$m$ order.

Arguments

• two_j - The required spinor angular momentum (times two).
• even - Boolean indicating whether the spinors are even with respect to spatial inversion.

Returns

A SpinorOrder struct for a specified angular momentum with increasing-$m$ order.

pub fn decreasingm(two_j: u32, even: bool) -> Self

Constructs a new SpinorOrder structure for a specified angular momentum with decreasing-$m$ order.

Arguments

• two_j - The required spinor angular momentum (times two).
• even - Boolean indicating whether the spinors are even with respect to spatial inversion.

Returns

A SpinorOrder struct for a specified angular momentum with decreasing-$m$ order.

pub fn molden(two_j: u32, even: bool) -> Self

Constructs a new SpinorOrder structure for a specified angular momentum with Molden order.

Arguments

• two_j - The required spinor angular momentum (times two).
• even - Boolean indicating whether the spinors are even with respect to spatial inversion.

Returns

A SpinorOrder struct for a specified angular momentum with Molden order.

pub fn verify(&self) -> bool

Verifies if this SpinorOrder struct is valid.

Returns

A boolean indicating if this SpinorOrder struct is valid.

pub fn iter(&self) -> Iter<'_, i32>

Iterates over the constituent $2m_j$ values.

pub fn ncomps(&self) -> usize

Returns the number of pure components in the shell.

pub fn get_two_m_with_index(&self, i: usize) -> Option<i32>

Returns the $2m$ value with a specified index in this shell.

Trait Implementations

impl Clone for SpinorOrder

fn clone(&self) -> SpinorOrder

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for SpinorOrder

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

Formats the value using the given formatter.

impl Display for SpinorOrder

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

Formats the value using the given formatter.

impl Hash for SpinorOrder

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl PartialEq for SpinorOrder

fn eq(&self, other: &SpinorOrder) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl PermutableCollection for SpinorOrder

type Rank = usize

The type of the rank of the permutation.

fn get_perm_of(&self, other: &Self) -> Option<Permutation<Self::Rank>>

Determines the permutation, if any, that maps self to other.

fn permute(&self, perm: &Permutation<Self::Rank>) -> Result<Self, Error>

Permutes the items in the current collection by perm and returns a new collection with the permuted items.

fn permute_mut(&mut self, perm: &Permutation<Self::Rank>) -> Result<(), Error>

Permutes in-place the items in the current collection by perm.

impl Eq for SpinorOrder

impl StructuralPartialEq for SpinorOrder