Struct qsym2::symmetry::symmetry_symbols::SymmetryClassSymbol

pub struct SymmetryClassSymbol<R: Clone + Serialize> { /* private fields */ }

Structure to handle conjugacy class symbols.

Implementations

impl<R: Clone + Serialize> SymmetryClassSymbol<R>

pub fn new( symstr: &str, rep: Option<Vec<R>>, ) -> Result<Self, GenericSymbolParsingError>

Creates a class symbol from a string and some representative elements.

Some permissible conjugacy class symbols:

"1||C3||"
"1||C3|^(2)|"
"12||C2|^(5)|"
"2||S|^(z)|(α)"

Note that the prefactor is required.

Arguments

• symstr - A string to be parsed to give a class symbol.
• rep - Optional representative elements for this class.

Returns

A Result wrapping the constructed class symbol.

Panics

Panics when unable to construct a class symbol from the specified string.

Errors

Errors when the string contains no parsable class size prefactor, or when the string cannot be parsed as a generic symbol.

Trait Implementations

impl<R: Clone + Clone + Serialize> Clone for SymmetryClassSymbol<R>

fn clone(&self) -> SymmetryClassSymbol<R>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<R: Clone + Serialize> CollectionSymbol for SymmetryClassSymbol<R>

type CollectionElement = R

The type of the elements in the collection.

fn from_reps( symstr: &str, reps: Option<Vec<Self::CollectionElement>>, ) -> Result<Self, GenericSymbolParsingError>

Constructs a collection symbol from a string and one or more representative collection elements.

fn representative(&self) -> Option<&Self::CollectionElement>

The first representative element of the collection.

fn representatives(&self) -> Option<&Vec<Self::CollectionElement>>

All representative elements of the collection.

fn size(&self) -> usize

The size of the collection which is given by the number of representative elements multiplied by the multiplicity of the symbol. If no representative elements exist, then the size is taken to be the multiplicity of the symbol itself.

impl<R: Debug + Clone + Serialize> Debug for SymmetryClassSymbol<R>

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

Formats the value using the given formatter.

impl<'de, R> Deserialize<'de> for SymmetryClassSymbol<R>

where R: Deserialize<'de> + Clone + Serialize,

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<R: Clone + Serialize> Display for SymmetryClassSymbol<R>

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

Formats the value using the given formatter.

impl<R: FiniteOrder + Clone + Serialize> FiniteOrder for SymmetryClassSymbol<R>

type Int = <R as FiniteOrder>::Int

The integer type for the order of the element.

fn order(&self) -> Self::Int

Returns the finite order of the element.

impl<R: Clone + Serialize> Hash for SymmetryClassSymbol<R>

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<R: Clone + Serialize> MathematicalSymbol for SymmetryClassSymbol<R>

fn main(&self) -> String

The main part of the symbol, which denotes the representative symmetry operation.

fn presuper(&self) -> String

The pre-superscript part of the symbol, which is empty.

fn presub(&self) -> String

The pre-subscript part of the symbol, which is empty.

fn postsuper(&self) -> String

The post-superscript part of the symbol, which is empty.

fn postsub(&self) -> String

The post-subscript part of the symbol, which is empty.

fn prefactor(&self) -> String

The prefactor part of the symbol, which denotes the size of the class.

fn postfactor(&self) -> String

The postfactor part of the symbol, which is empty.

fn multiplicity(&self) -> Option<usize>

The number of times the representative elements are ‘duplicated’ to give the size of the class.

impl<R: Clone + Serialize> PartialEq for SymmetryClassSymbol<R>

fn eq(&self, other: &Self) -> 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<R> Serialize for SymmetryClassSymbol<R>

where R: Serialize + Clone + Serialize,

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl<R: SpecialSymmetryTransformation + Clone + Serialize> SpecialSymmetryTransformation for SymmetryClassSymbol<R>

fn is_proper(&self) -> bool

Checks if this class is proper.

Returns

A flag indicating if this class is proper.

fn contains_time_reversal(&self) -> bool

Checks if this class contains a time reversal operation.

Returns

A flag indicating if this class contains a time reversal operation.

fn is_su2(&self) -> bool

Checks if this class contains an active associated spin rotation (normal or inverse).

Returns

A flag indicating if this class contains an active associated spin rotation.

fn is_su2_class_1(&self) -> bool

Checks if this class contains an active and inverse associated spin rotation.

Returns

A flag indicating if this class contains an active and inverse associated spin rotation.

fn is_spatial_identity(&self) -> bool

Checks if the spatial part of the symmetry operation is the spatial identity.

fn is_spatial_binary_rotation(&self) -> bool

Checks if the spatial part of the symmetry operation is a spatial binary rotation.

fn is_spatial_inversion(&self) -> bool

Checks if the spatial part of the symmetry operation is the spatial inversion.

fn is_spatial_reflection(&self) -> bool

Checks if the spatial part of the symmetry operation is a spatial reflection.

fn is_identity(&self) -> bool

Checks if the symmetry operation is the identity in $\mathsf{O}(3)$, E, or in $\mathsf{SU}(2)$, E(Σ).

fn is_time_reversal(&self) -> bool

Checks if the symmetry operation is a pure time-reversal in $\mathsf{O}(3)$, θ, or in $\mathsf{SU}(2)$, θ(Σ).

fn is_inversion(&self) -> bool

Checks if the symmetry operation is an inversion in $\mathsf{O}(3)$, i, but not in $\mathsf{SU}(2)$, i(Σ).

fn is_reflection(&self) -> bool

Checks if the symmetry operation is a reflection in $\mathsf{O}(3)$, σ, but not in $\mathsf{SU}(2)$, σ(Σ).

impl<R: Clone + Serialize> Eq for SymmetryClassSymbol<R>