Enum qsym2::angmom::spinor_rotation_3d::SpinConstraint

pub enum SpinConstraint {
    Restricted(u16),
    Unrestricted(u16, bool),
    Generalised(u16, bool),
}

Enumerated type to manage spin constraints and spin space information.

Variants

Restricted(u16)

Variant for restricted spin constraint: the spatial parts of all spin spaces are identical. The associated value is the number of spin spaces.

Unrestricted(u16, bool)

Variant for unrestricted spin constraint: the spatial parts of different spin spaces are different, but spin collinearity is maintained. The associated values are the number of spin spaces (i.e. the number of different spatial parts that are handled separately) and a boolean indicating if the spin spaces are arranged in increasing $m$ order.

Generalised(u16, bool)

Variant for generalised spin constraint: the spatial parts of different spin spaces are different, and no spin collinearity is imposed. The associated values are the number of spin spaces and a boolean indicating if the spin spaces are arranged in increasing $m$ order.

Implementations

impl SpinConstraint

pub fn nunits(&self) -> u16

Returns the total number of units of consideration.

A ‘unit’ of consideration is commonly known as a ‘spin channel’ or ‘spin space’.

pub fn nspins_per_unit(&self) -> u16

Returns the number of spin spaces per ‘unit’ of consideration.

A ‘unit’ of consideration is commonly known as a ‘spin channel’ or ‘spin space’.

pub fn nspins(&self) -> u16

Returns the total number of spin spaces.

Trait Implementations

impl Clone for SpinConstraint

fn clone(&self) -> SpinConstraint

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for SpinConstraint

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for SpinConstraint

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for SpinConstraint

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

Formats the value using the given formatter.

impl From<PySpinConstraint> for SpinConstraint

fn from(pysc: PySpinConstraint) -> Self

Converts to this type from the input type.

impl Hash for SpinConstraint

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 SpinConstraint

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

This method tests for self and other values to be equal, and is used by ==.

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

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

impl Serialize for SpinConstraint

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl TryFrom<SpinConstraint> for PySpinConstraint

type Error = Error

The type returned in the event of a conversion error.

fn try_from(sc: SpinConstraint) -> Result<Self, Self::Error>

Performs the conversion.

impl Eq for SpinConstraint

impl StructuralPartialEq for SpinConstraint