Struct qsym2::bindings::python::symmetry_group_detection::PySymmetry

pub struct PySymmetry { /* private fields */ }

Python-exposed structure to marshall symmetry information one-way from Rust to Python.

Implementations

impl PySymmetry

pub fn is_infinite(&self) -> bool

Returns a boolean indicating if the group is infinite.

pub fn get_elements_of_kind( &self, kind: &PySymmetryElementKind, ) -> PyResult<HashMap<i32, Vec<Py<PyArray1<f64>>>>>

Returns symmetry elements of all finite orders of a given kind.

Arguments

• kind - The symmetry element kind. Python type: PySymmetryElementKind.

Returns

A hashmap where the keys are integers indicating the orders of the elements and the values are vectors of one-dimensional arrays, each of which gives the axis of a symmetry element. If the order value is -1, then the associated elements have infinite order.

Python type: dict[int, list[numpy.1darray[float]]].

pub fn get_generators_of_kind( &self, kind: &PySymmetryElementKind, ) -> PyResult<HashMap<i32, Vec<Py<PyArray1<f64>>>>>

Returns symmetry generators of finite and infinite orders of a given kind.

Arguments

• kind - The symmetry generator kind. Python type: PySymmetryElementKind.

Returns

A hashmap where the keys are integers indicating the orders of the generators and the values are vectors of one-dimensional arrays, each of which gives the axis of a symmetry generator. If the order value is -1, then the associated generators have infinite order.

Python type: dict[int, list[numpy.1darray[float]]].

Trait Implementations

impl Clone for PySymmetry

fn clone(&self) -> PySymmetry

Returns a copy of the value.

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

Performs copy-assignment from source.

impl HasPyGilRef for PySymmetry

type AsRefTarget = PyCell<PySymmetry>

Utility type to make Py::as_ref work.

impl IntoPy<Py<PyAny>> for PySymmetry

fn into_py(self, py: Python<'_>) -> PyObject

Performs the conversion.

impl PyClass for PySymmetry

type Frozen = False

Whether the pyclass is frozen.

impl PyClassImpl for PySymmetry

const IS_BASETYPE: bool = false

#[pyclass(subclass)]

const IS_SUBCLASS: bool = false

#[pyclass(extends=…)]

const IS_MAPPING: bool = false

#[pyclass(mapping)]

const IS_SEQUENCE: bool = false

#[pyclass(sequence)]

type BaseType = PyAny

Base class

type ThreadChecker = SendablePyClass<PySymmetry>

This handles following two situations:

type PyClassMutability = <<PyAny as PyClassBaseType>::PyClassMutability as PyClassMutability>::MutableChild

Immutable or mutable

type Dict = PyClassDummySlot

Specify this class has #[pyclass(dict)] or not.

type WeakRef = PyClassDummySlot

Specify this class has #[pyclass(weakref)] or not.

type BaseNativeType = PyAny

The closest native ancestor. This is PyAny by default, and when you declare #[pyclass(extends=PyDict)], it’s PyDict.

fn items_iter() -> PyClassItemsIter

fn doc(py: Python<'_>) -> PyResult<&'static CStr>

Rendered class doc

fn lazy_type_object() -> &'static LazyTypeObject<Self>

fn dict_offset() -> Option<isize>

fn weaklist_offset() -> Option<isize>

impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a PySymmetry

type Holder = Option<PyRef<'py, PySymmetry>>

fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a mut PySymmetry

type Holder = Option<PyRefMut<'py, PySymmetry>>

fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

impl PyMethods<PySymmetry> for PyClassImplCollector<PySymmetry>

fn py_methods(self) -> &'static PyClassItems

impl PyTypeInfo for PySymmetry

const NAME: &'static str = "PySymmetry"

Class name.

const MODULE: Option<&'static str> = ::core::option::Option::None

Module name, if any.

fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject

Returns the PyTypeObject instance for this type.

fn type_object(py: Python<'_>) -> &PyType

👎Deprecated since 0.21.0: PyTypeInfo::type_object will be replaced by PyTypeInfo::type_object_bound in a future PyO3 version

Returns the safe abstraction over the type object.

fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>

Returns the safe abstraction over the type object.

fn is_type_of(object: &PyAny) -> bool

👎Deprecated since 0.21.0: PyTypeInfo::is_type_of will be replaced by PyTypeInfo::is_type_of_bound in a future PyO3 version

Checks if object is an instance of this type or a subclass of this type.

fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type or a subclass of this type.

fn is_exact_type_of(object: &PyAny) -> bool

👎Deprecated since 0.21.0: PyTypeInfo::is_exact_type_of will be replaced by PyTypeInfo::is_exact_type_of_bound in a future PyO3 version

Checks if object is an instance of this type.

fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type.

impl TryFrom<&Symmetry> for PySymmetry

type Error = Error

The type returned in the event of a conversion error.

fn try_from(sym: &Symmetry) -> Result<Self, Self::Error>

Performs the conversion.

impl DerefToPyAny for PySymmetry