qsym2::symmetry::symmetry_symbols

Struct MullikenIrcorepSymbol

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pub struct MullikenIrcorepSymbol { /* private fields */ }
Expand description

Structure to handle Mulliken irreducible corepresentation symbols.

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impl MullikenIrcorepSymbol

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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.

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impl Clone for MullikenIrcorepSymbol

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fn clone(&self) -> MullikenIrcorepSymbol

Returns a copy of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl Debug for MullikenIrcorepSymbol

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

Formats the value using the given formatter. Read more
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impl<'de> Deserialize<'de> for MullikenIrcorepSymbol

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fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more
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impl Display for MullikenIrcorepSymbol

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

Formats the value using the given formatter. Read more
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impl FromStr for MullikenIrcorepSymbol

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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.

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type Err = MullikenIrcorepSymbolBuilderError

The associated error which can be returned from parsing.
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impl Hash for MullikenIrcorepSymbol

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

Feeds this value into the given Hasher. Read more
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fn hash_slice<H>(data: &[Self], state: &mut H)
where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher. Read more
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impl PartialEq for MullikenIrcorepSymbol

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

Tests for self and other values to be equal, and is used by ==.
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fn ne(&self, other: &Rhs) -> bool

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

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

This method returns an ordering between self and other values if one exists. Read more
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fn lt(&self, other: &Rhs) -> bool

Tests less than (for self and other) and is used by the < operator. Read more
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fn le(&self, other: &Rhs) -> bool

Tests less than or equal to (for self and other) and is used by the <= operator. Read more
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fn gt(&self, other: &Rhs) -> bool

Tests greater than (for self and other) and is used by the > operator. Read more
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fn ge(&self, other: &Rhs) -> bool

Tests greater than or equal to (for self and other) and is used by the >= operator. Read more
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impl ReducibleLinearSpaceSymbol for MullikenIrcorepSymbol

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type Subspace = MullikenIrrepSymbol

The type of the subspace symbols.
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fn from_subspaces(irreps: &[(Self::Subspace, usize)]) -> Self

Constructs Self from constituting subspace symbols and their multiplicities.
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fn subspaces(&self) -> Vec<(&Self::Subspace, &usize)>

Returns the constituting subspace symbols and their multiplicities.
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fn sorted_subspaces(&self) -> Vec<(&Self::Subspace, &usize)>

Returns an iterator containing sorted references to the constituting symbols. Read more
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impl Serialize for MullikenIrcorepSymbol

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

Serialize this value into the given Serde serializer. Read more
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impl Eq for MullikenIrcorepSymbol

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impl StructuralPartialEq for MullikenIrcorepSymbol

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Causes self to use its Display implementation when Debug-formatted.
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Causes self to use its LowerExp implementation when Debug-formatted.
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where Self: LowerHex,

Causes self to use its LowerHex implementation when Debug-formatted.
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Causes self to use its Octal implementation when Debug-formatted.
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Causes self to use its UpperExp implementation when Debug-formatted.
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Causes self to use its UpperHex implementation when Debug-formatted.
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impl<R> LinearSpaceSymbol for R
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fn dimensionality(&self) -> usize

The dimensionality of the linear space.
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fn set_dimensionality(&mut self, _: usize) -> bool

Sets the dimensionality of the linear space for the symbol. Read more
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impl<R> MathematicalSymbol for R
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fn main(&self) -> String

The main part of the symbol.

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fn presuper(&self) -> String

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

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fn postsuper(&self) -> String

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

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fn postsub(&self) -> String

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

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fn prefactor(&self) -> String

The prefactor part of the symbol, which is always "1".

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fn postfactor(&self) -> String

The postfactor part of the symbol, which is always empty.

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

The multiplicity of the symbol, which is always "1".

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fn presub(&self) -> String

The pre-subscript part of the symbol.
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