Struct qsym2::chartab::RepCharacterTable

pub struct RepCharacterTable<RowSymbol, ColSymbol>
where
    RowSymbol: LinearSpaceSymbol,
    ColSymbol: CollectionSymbol,
{
    pub name: String,
    /* private fields */
}

Structure to manage character tables of irreducible representations.

Fields

name: String

The name given to the character table.

Trait Implementations

impl<RowSymbol, ColSymbol> CharacterTable for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol, ColSymbol: CollectionSymbol,

fn get_character( &self, irrep: &Self::RowSymbol, class: &Self::ColSymbol, ) -> &Character

Retrieves the character of a particular irreducible representation in a particular conjugacy class.

Arguments

• irrep - A Mulliken irreducible representation symbol.
• class - A conjugacy class symbol.

Returns

The required character.

Panics

Panics if the specified irrep or class cannot be found.

fn get_row(&self, irrep: &Self::RowSymbol) -> ArrayView1<'_, Character>

Retrieves the characters of all conjugacy classes in a particular irreducible representation.

Arguments

• irrep - A Mulliken irreducible representation symbol.

Returns

The required characters.

fn get_col(&self, class: &Self::ColSymbol) -> ArrayView1<'_, Character>

Retrieves the characters of all irreducible representations in a particular conjugacy class.

Arguments

• class - A conjugacy class symbol.

Returns

The required characters.

fn get_all_rows(&self) -> IndexSet<Self::RowSymbol>

Retrieves the Mulliken symbols of all irreducible representations of the group.

fn get_all_cols(&self) -> IndexSet<Self::ColSymbol>

Retrieves the symbols of all conjugacy classes of the group.

fn array(&self) -> &Array2<Character>

Returns a shared reference to the underlying array of the character table.

fn get_order(&self) -> usize

Retrieves the order of the group.

fn write_nice_table( &self, f: &mut Formatter<'_>, compact: bool, numerical: Option<usize>, ) -> Result

Prints a nicely formatted character table.

Arguments

• compact - Flag indicating if the columns are compact with unequal widths or expanded with all equal widths.
• numerical - An option containing a non-negative integer specifying the number of decimal places for the numerical forms of the characters. If None, the characters will be shown as exact algebraic forms.

Returns

A formatted string containing the character table in a printable form.

Panics

Panics upon encountering any missing information required for a complete print-out of the character table.

Errors

Errors upon encountering any issue formatting the character table.

type RowSymbol = RowSymbol

The type for the row-labelling symbols.

type ColSymbol = ColSymbol

The type for the column-labelling symbols.

fn get_principal_cols(&self) -> &IndexSet<Self::ColSymbol>

Returns the principal columns of the character table.

impl<RowSymbol, ColSymbol> Clone for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol + Clone, ColSymbol: CollectionSymbol + Clone,

fn clone(&self) -> RepCharacterTable<RowSymbol, ColSymbol>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<RowSymbol, ColSymbol> Debug for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol, ColSymbol: CollectionSymbol,

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

Formats the value using the given formatter.

impl<'de, RowSymbol, ColSymbol> Deserialize<'de> for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol + Deserialize<'de>, ColSymbol: CollectionSymbol + Deserialize<'de>,

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<RowSymbol, ColSymbol> Display for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol, ColSymbol: CollectionSymbol,

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

Formats the value using the given formatter.

impl<RowSymbol, ColSymbol> Serialize for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol + Serialize, ColSymbol: CollectionSymbol + Serialize,

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl<RowSymbol, ColSymbol, T> SubspaceDecomposable<T> for RepCharacterTable<RowSymbol, ColSymbol>

where RowSymbol: LinearSpaceSymbol + PartialOrd + Sync + Send, ColSymbol: CollectionSymbol + Sync + Send, T: ComplexFloat + Sync + Send, <T as ComplexFloat>::Real: ToPrimitive + Sync + Send, for<'a> Complex<f64>: Mul<&'a T, Output = Complex<f64>>,

fn reduce_characters( &self, characters: &[(&Self::ColSymbol, T)], thresh: T::Real, ) -> Result<Self::Decomposition, DecompositionError>

Reduces a representation into irreducible representations using its characters under the conjugacy classes of the character table.

Arguments

• characters - A slice of characters for conjugacy classes.
• thresh - Threshold for determining non-zero imaginary parts of multiplicities.

Returns

The representation as a direct sum of irreducible representations.

type Decomposition = DecomposedSymbol<RowSymbol>

The type for the decomposed result.