Struct qsym2::symmetry::symmetry_symbols::MullikenIrcorepSymbol

pub struct MullikenIrcorepSymbol { /* private fields */ }

Structure to handle Mulliken irreducible corepresentation symbols.

Implementations

impl MullikenIrcorepSymbol

pub fn new(symstr: &str) -> Result<Self, MullikenIrcorepSymbolBuilderError>

Parses a string representing a Mulliken ircorep symbol, which consists of one or more Mulliken irrep symbols joined together by "+".

See Self::from_str for more information.

Arguments

• symstr - A string to be parsed to give a Mulliken ircorep symbol.

Errors

Errors when the string cannot be parsed as a Mulliken ircorep symbol.

Trait Implementations

impl Clone for MullikenIrcorepSymbol

fn clone(&self) -> MullikenIrcorepSymbol

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for MullikenIrcorepSymbol

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for MullikenIrcorepSymbol

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for MullikenIrcorepSymbol

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

Formats the value using the given formatter.

impl FromStr for MullikenIrcorepSymbol

fn from_str(symstr: &str) -> Result<Self, Self::Err>

Parses a string representing a Mulliken ircorep symbol. A valid string representing a Mulliken ircorep symbol is one consisting of one or more Mulliken irrep symbol strings, separated by a + character.

Arguments

• symstr - A string to be parsed to give a Mulliken ircorep symbol.

Returns

A Result wrapping the constructed Mulliken ircorep symbol.

Panics

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

Errors

Errors when the string cannot be parsed.

type Err = MullikenIrcorepSymbolBuilderError

The associated error which can be returned from parsing.

impl Hash for MullikenIrcorepSymbol

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 MullikenIrcorepSymbol

fn eq(&self, other: &MullikenIrcorepSymbol) -> 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 PartialOrd for MullikenIrcorepSymbol

fn partial_cmp(&self, other: &MullikenIrcorepSymbol) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

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

This method tests less than (for self and other) and is used by the < operator.

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

This method tests less than or equal to (for self and other) and is used by the <= operator.

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

This method tests greater than (for self and other) and is used by the > operator.

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

This method tests greater than or equal to (for self and other) and is used by the >= operator.

impl ReducibleLinearSpaceSymbol for MullikenIrcorepSymbol

type Subspace = MullikenIrrepSymbol

The type of the subspace symbols.

fn from_subspaces(irreps: &[(Self::Subspace, usize)]) -> Self

Constructs Self from constituting subspace symbols and their multiplicities.

fn subspaces(&self) -> Vec<(&Self::Subspace, &usize)>

Returns the constituting subspace symbols and their multiplicities.

fn sorted_subspaces(&self) -> Vec<(&Self::Subspace, &usize)>

Returns an iterator containing sorted references to the constituting symbols.

impl Serialize for MullikenIrcorepSymbol

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Eq for MullikenIrcorepSymbol

impl StructuralPartialEq for MullikenIrcorepSymbol