pub enum SymmetryElementKind {
    Proper(Option<AntiunitaryKind>),
    ImproperMirrorPlane(Option<AntiunitaryKind>),
    ImproperInversionCentre(Option<AntiunitaryKind>),
}
Expand description

Enumerated type to classify the types of symmetry element.

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Proper(Option<AntiunitaryKind>)

Proper symmetry element which consists of just a proper rotation axis.

The associated option indicates the type of the associated antiunitary operation, if any.

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ImproperMirrorPlane(Option<AntiunitaryKind>)

Improper symmetry element in the mirror-plane convention, which consists of a proper rotation axis and an orthogonal mirror plane.

The associated option indicates the type of the associated antiunitary operation, if any.

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ImproperInversionCentre(Option<AntiunitaryKind>)

Improper symmetry element in the inversion-centre convention, which consists of a proper rotation axis and an inversion centre.

The associated option indicates the type of the associated antiunitary operation, if any.

Implementations§

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impl SymmetryElementKind

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pub fn contains_time_reversal(&self) -> bool

Indicates if a time-reversal operation is associated with this element.

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pub fn contains_antiunitary(&self) -> bool

Indicates if an antiunitary operation is associated with this element.

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pub fn to_tr(&self, tr: bool) -> Self

Converts the current kind to the desired time-reversal form.

§Arguments
  • tr - A boolean indicating whether time reversal is included (true) or removed (false).
§Returns

A copy of the current kind with or without the time-reversal antiunitary operation.

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pub fn to_antiunitary(&self, au: Option<AntiunitaryKind>) -> Self

Converts the associated antiunitary operation to the desired kind.

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  • au - An option containing the desired antiunitary kind.
§Returns

A new symmetry element kind with the desired antiunitary kind.

Trait Implementations§

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impl Clone for SymmetryElementKind

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fn clone(&self) -> SymmetryElementKind

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 SymmetryElementKind

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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 SymmetryElementKind

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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 SymmetryElementKind

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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 Hash for SymmetryElementKind

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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 SymmetryElementKind

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

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

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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 TryFrom<&SymmetryElementKind> for PySymmetryElementKind

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type Error = Error

The type returned in the event of a conversion error.
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fn try_from(symkind: &SymmetryElementKind) -> Result<Self, Self::Error>

Performs the conversion.
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impl TryInto<ImproperRotationKind> for SymmetryElementKind

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type Error = SymmetryElementKindConversionError

The type returned in the event of a conversion error.
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fn try_into(self) -> Result<ImproperRotationKind, Self::Error>

Performs the conversion.
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impl Copy for SymmetryElementKind

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impl Eq for SymmetryElementKind

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impl StructuralPartialEq for SymmetryElementKind

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default unsafe fn clone_to_uninit(&self, dst: *mut T)

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Causes self to use its Binary implementation when Debug-formatted.
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